smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1ccc2ccccc2c1C[NH+]1CCN(Cc2cscn2)CC1 ZINC000052083876 214115870 /nfs/dbraw/zinc/11/58/70/214115870.db2.gz GLBCFKLBKFIBAJ-UHFFFAOYSA-N 0 3 339.464 3.320 20 10 EGCDHN C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1)c1ccccc1[O-] ZINC000359990598 201121975 /nfs/dbraw/zinc/12/19/75/201121975.db2.gz BXWMEIMJRBIPQQ-WLWJZTKJSA-N 0 3 336.435 3.200 20 10 EGCDHN C[C@]12CCN(Cc3cc4c(cc3O)OCO4)C[C@H]1C2(Cl)Cl ZINC000284544185 455703340 /nfs/dbraw/zinc/70/33/40/455703340.db2.gz VRQCNINALBQDMH-KGLIPLIRSA-N 0 3 330.211 3.137 20 10 EGCDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)c1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000264741224 455274297 /nfs/dbraw/zinc/27/42/97/455274297.db2.gz UATRPMUFHKBMBB-AZUAARDMSA-N 0 3 345.414 3.246 20 10 EGCDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)c1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000264741224 455274300 /nfs/dbraw/zinc/27/43/00/455274300.db2.gz UATRPMUFHKBMBB-AZUAARDMSA-N 0 3 345.414 3.246 20 10 EGCDHN CC(=O)c1cc(F)cc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)c1[O-] ZINC000079464880 454420707 /nfs/dbraw/zinc/42/07/07/454420707.db2.gz JBFHRAGGAUNCMQ-HNNXBMFYSA-N 0 3 334.435 3.042 20 10 EGCDHN c1cc(N2CCCCC2)ccc1CN1CCS[C@H]2COCC[C@@H]21 ZINC000091855744 454482064 /nfs/dbraw/zinc/48/20/64/454482064.db2.gz DYKCNBKTUZJOLJ-OALUTQOASA-N 0 3 332.513 3.383 20 10 EGCDHN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccc([S@](C)=O)cc1 ZINC000122456806 454535326 /nfs/dbraw/zinc/53/53/26/454535326.db2.gz IFNDGVHDXKFRHI-ZAMGYDSWSA-N 0 3 334.460 3.480 20 10 EGCDHN CN(Cc1ccc(N2CCCCC2)cc1)Cc1cccc(C(N)=O)c1 ZINC000051476344 454626285 /nfs/dbraw/zinc/62/62/85/454626285.db2.gz WUWRIOCTIFTEEE-UHFFFAOYSA-N 0 3 337.467 3.408 20 10 EGCDHN CCC[N@H+](Cc1cnc(N2CCOCC2)s1)Cc1ccccc1[O-] ZINC000124036914 454695710 /nfs/dbraw/zinc/69/57/10/454695710.db2.gz OMQNJXYODKNCFV-UHFFFAOYSA-N 0 3 347.484 3.098 20 10 EGCDHN CCC[N@@H+](Cc1cnc(N2CCOCC2)s1)Cc1ccccc1[O-] ZINC000124036914 454695715 /nfs/dbraw/zinc/69/57/15/454695715.db2.gz OMQNJXYODKNCFV-UHFFFAOYSA-N 0 3 347.484 3.098 20 10 EGCDHN CCC[N@H+](CCC(=O)Nc1cc(N)ccc1F)Cc1ccccc1[O-] ZINC000177037232 454814680 /nfs/dbraw/zinc/81/46/80/454814680.db2.gz MXBLDSYZZDNEOY-UHFFFAOYSA-N 0 3 345.418 3.354 20 10 EGCDHN CCC[N@@H+](CCC(=O)Nc1cc(N)ccc1F)Cc1ccccc1[O-] ZINC000177037232 454814684 /nfs/dbraw/zinc/81/46/84/454814684.db2.gz MXBLDSYZZDNEOY-UHFFFAOYSA-N 0 3 345.418 3.354 20 10 EGCDHN C[C@H](N[C@@H]1CCCCNC1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000177872840 454914506 /nfs/dbraw/zinc/91/45/06/454914506.db2.gz ANDHUEZXAHWKEH-WMLDXEAASA-N 0 3 333.451 3.135 20 10 EGCDHN CCOc1ccc(O)c(CN[C@H](C[S@](C)=O)c2ccccc2)c1 ZINC000154740047 454925162 /nfs/dbraw/zinc/92/51/62/454925162.db2.gz QANFGVUIJNIZEB-UZUQRXQVSA-N 0 3 333.453 3.000 20 10 EGCDHN C[C@H](NCCNC(=O)C1CC1)c1ccc(N2CCCCCC2)cc1 ZINC000178213860 454943313 /nfs/dbraw/zinc/94/33/13/454943313.db2.gz ZSMILNLGVBYGHV-INIZCTEOSA-N 0 3 329.488 3.244 20 10 EGCDHN O=C(c1ccc(Cl)cc1)N1CCCN(Cc2ccccc2O)CC1 ZINC000179562969 455058778 /nfs/dbraw/zinc/05/87/78/455058778.db2.gz WSIUBDCDOSDZSD-UHFFFAOYSA-N 0 3 344.842 3.394 20 10 EGCDHN CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cc(F)ccc1[O-] ZINC000180072753 455126867 /nfs/dbraw/zinc/12/68/67/455126867.db2.gz RKWSIJLIQMNRQE-UHFFFAOYSA-N 0 3 330.403 3.255 20 10 EGCDHN CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cc(F)ccc1[O-] ZINC000180072753 455126868 /nfs/dbraw/zinc/12/68/68/455126868.db2.gz RKWSIJLIQMNRQE-UHFFFAOYSA-N 0 3 330.403 3.255 20 10 EGCDHN CCOc1ccc([O-])c(C[NH2+][C@H]2CCCO[C@@H]2c2nccn2CC)c1 ZINC000190428068 455314358 /nfs/dbraw/zinc/31/43/58/455314358.db2.gz QJUCFIZLNXGVQB-WMZOPIPTSA-N 0 3 345.443 3.017 20 10 EGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C2CCN(Cc3ccncc3)CC2)c1 ZINC000185068763 455495727 /nfs/dbraw/zinc/49/57/27/455495727.db2.gz JJNUWVOBCRIUMI-INIZCTEOSA-N 0 3 325.456 3.411 20 10 EGCDHN CNC(=O)c1cccc(CN[C@@H](C)c2cc3c(cc2O)CCCC3)c1 ZINC000185150388 455511275 /nfs/dbraw/zinc/51/12/75/455511275.db2.gz IMPYAIIOLYEGRS-AWEZNQCLSA-N 0 3 338.451 3.481 20 10 EGCDHN COc1ccc([O-])c(C[NH2+]C[C@](C)(Cc2ccccc2)[C@H](C)O)c1 ZINC000191780682 455519140 /nfs/dbraw/zinc/51/91/40/455519140.db2.gz DXIGOPQUNWVNSV-YWZLYKJASA-N 0 3 329.440 3.120 20 10 EGCDHN C[C@H](CO[C@H]1CCOC1)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000267901613 455562573 /nfs/dbraw/zinc/56/25/73/455562573.db2.gz LKTZXPPGURNJLX-BEFAXECRSA-N 0 3 327.424 3.343 20 10 EGCDHN CC[C@H]([NH2+]Cc1cc(OC)ccc1[O-])[C@H](O)c1c(F)cccc1F ZINC000271792760 455761795 /nfs/dbraw/zinc/76/17/95/455761795.db2.gz HEADBLUGWKLYPK-YJBOKZPZSA-N 0 3 337.366 3.281 20 10 EGCDHN COc1cc([O-])c(C[NH2+]CCc2nc3c(cccc3C)o2)cc1OC ZINC000271794000 455762763 /nfs/dbraw/zinc/76/27/63/455762763.db2.gz HKIGZOBPLFQAAV-UHFFFAOYSA-N 0 3 342.395 3.191 20 10 EGCDHN Oc1cc2c(cc1CNCc1ccc(OC(F)F)c(F)c1)OCO2 ZINC000292861136 455764006 /nfs/dbraw/zinc/76/40/06/455764006.db2.gz AQQDTHANBDNLLU-UHFFFAOYSA-N 0 3 341.285 3.151 20 10 EGCDHN COc1cc([O-])c(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)cc1OC ZINC000271854528 455787706 /nfs/dbraw/zinc/78/77/06/455787706.db2.gz UNCGOJOJWQASDU-OAHLLOKOSA-N 0 3 335.444 3.381 20 10 EGCDHN CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000285136947 455793602 /nfs/dbraw/zinc/79/36/02/455793602.db2.gz OLNUHQHWJBRKPJ-LBPRGKRZSA-N 0 3 337.416 3.176 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@@H]2C[C@@H](C)O)c1[O-] ZINC000271902591 455797895 /nfs/dbraw/zinc/79/78/95/455797895.db2.gz ZPBJJGCUMYPPLJ-BXUZGUMPSA-N 0 3 328.250 3.198 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)c1[O-] ZINC000271902591 455797901 /nfs/dbraw/zinc/79/79/01/455797901.db2.gz ZPBJJGCUMYPPLJ-BXUZGUMPSA-N 0 3 328.250 3.198 20 10 EGCDHN COc1ccc(OC)c([C@@H](O)C[NH2+][C@H](C)c2c(C)cc(C)cc2[O-])c1 ZINC000293930251 455800840 /nfs/dbraw/zinc/80/08/40/455800840.db2.gz XXUNQQMOBAYLOJ-KDOFPFPSSA-N 0 3 345.439 3.410 20 10 EGCDHN C[C@@H](CCCO)C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000294863227 455829623 /nfs/dbraw/zinc/82/96/23/455829623.db2.gz UAJLRKWVKUKNFS-INIZCTEOSA-N 0 3 329.440 3.469 20 10 EGCDHN Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(NS(C)(=O)=O)cc2)c([O-])c1 ZINC000285407706 455838004 /nfs/dbraw/zinc/83/80/04/455838004.db2.gz XONIXQNUEDUOMK-AWEZNQCLSA-N 0 3 348.468 3.231 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCC(=O)NC(C)C)c1[O-] ZINC000186984374 455858900 /nfs/dbraw/zinc/85/89/00/455858900.db2.gz KWOBCCHKVREVPE-LLVKDONJSA-N 0 3 343.265 3.028 20 10 EGCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)CC2 ZINC000295957489 455864570 /nfs/dbraw/zinc/86/45/70/455864570.db2.gz LXLLFOUXHVRPDQ-JKSUJKDBSA-N 0 3 344.480 3.104 20 10 EGCDHN CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000187230934 455884755 /nfs/dbraw/zinc/88/47/55/455884755.db2.gz HIKVDNAIJINYGZ-OUJBWJOFSA-N 0 3 348.306 3.226 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CC[C@@H](CO)C2)c1[O-] ZINC000296369675 455921144 /nfs/dbraw/zinc/92/11/44/455921144.db2.gz JDKAMTYIUREHFY-LOWVWBTDSA-N 0 3 328.250 3.275 20 10 EGCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)CC2 ZINC000296425164 455935835 /nfs/dbraw/zinc/93/58/35/455935835.db2.gz LQMYYBGGPGSTQX-GOEBONIOSA-N 0 3 348.240 3.465 20 10 EGCDHN C[C@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C[C@]2(CCOC2)O1 ZINC000280325446 455947588 /nfs/dbraw/zinc/94/75/88/455947588.db2.gz QSDNKZOIUNKZAI-KKSFZXQISA-N 0 3 339.435 3.439 20 10 EGCDHN C[C@H]1C[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C[C@]2(CCOC2)O1 ZINC000280325446 455947591 /nfs/dbraw/zinc/94/75/91/455947591.db2.gz QSDNKZOIUNKZAI-KKSFZXQISA-N 0 3 339.435 3.439 20 10 EGCDHN C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc(Br)cc1[O-] ZINC000296645208 455999198 /nfs/dbraw/zinc/99/91/98/455999198.db2.gz YJQAPWFAVMYBEM-HLVVYCRESA-N 0 3 339.277 3.431 20 10 EGCDHN COCC[C@H](NCc1cc(OC)c(OC)cc1O)c1ccc(C)o1 ZINC000272666260 456032050 /nfs/dbraw/zinc/03/20/50/456032050.db2.gz SGHUAQKEGFSACV-AWEZNQCLSA-N 0 3 335.400 3.178 20 10 EGCDHN COc1ccc([O-])c(C[NH2+]CCCCC(=O)OCc2ccccc2)c1 ZINC000272724659 456053213 /nfs/dbraw/zinc/05/32/13/456053213.db2.gz GMQOHXILJOCNMV-UHFFFAOYSA-N 0 3 343.423 3.404 20 10 EGCDHN CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)Cc1ccccc1[O-] ZINC000289377954 456122632 /nfs/dbraw/zinc/12/26/32/456122632.db2.gz CAYJJYMUXPATBE-LJQANCHMSA-N 0 3 325.456 3.274 20 10 EGCDHN CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)Cc1ccccc1[O-] ZINC000289377954 456122636 /nfs/dbraw/zinc/12/26/36/456122636.db2.gz CAYJJYMUXPATBE-LJQANCHMSA-N 0 3 325.456 3.274 20 10 EGCDHN C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccncc1 ZINC000271094080 456123210 /nfs/dbraw/zinc/12/32/10/456123210.db2.gz XUBLGPYPNKAKGA-CQSZACIVSA-N 0 3 329.419 3.033 20 10 EGCDHN CCOc1ccc(O)c(CN(Cc2ccc(C(N)=O)cc2)C2CC2)c1 ZINC000271105292 456127621 /nfs/dbraw/zinc/12/76/21/456127621.db2.gz RIAVFPDRXWGPTF-UHFFFAOYSA-N 0 3 340.423 3.054 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)c1 ZINC000289587517 456132113 /nfs/dbraw/zinc/13/21/13/456132113.db2.gz BTPNPHNJTZYYTA-BOUXLOLZSA-N 0 3 327.424 3.218 20 10 EGCDHN C[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])[C@H]1CCOC1 ZINC000281096640 456132112 /nfs/dbraw/zinc/13/21/12/456132112.db2.gz ADGRZWRAVNDILI-YJBOKZPZSA-N 0 3 327.424 3.486 20 10 EGCDHN COC[C@]1(C[NH2+][C@@H](C)c2cc(C)ccc2[O-])OCCc2ccccc21 ZINC000289609913 456132359 /nfs/dbraw/zinc/13/23/59/456132359.db2.gz CZWZYWBUOBFISF-KKSFZXQISA-N 0 3 341.451 3.466 20 10 EGCDHN [O-]c1cccc2c1[C@H]([NH2+]CCCn1cc(Br)cn1)CC2 ZINC000297340825 456191804 /nfs/dbraw/zinc/19/18/04/456191804.db2.gz OMPJLVMUVZADRD-CYBMUJFWSA-N 0 3 336.233 3.018 20 10 EGCDHN COC[C@@]1(C[NH2+][C@@H]2CCc3cccc([O-])c32)OCCc2ccccc21 ZINC000297419340 456215911 /nfs/dbraw/zinc/21/59/11/456215911.db2.gz UNWUFARYYKICTI-WIYYLYMNSA-N 0 3 339.435 3.084 20 10 EGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000273304113 456222426 /nfs/dbraw/zinc/22/24/26/456222426.db2.gz CIZQEBZTOXUCCK-MRXNPFEDSA-N 0 3 326.440 3.388 20 10 EGCDHN C[C@H]([NH2+][C@H]1CCN2CCCC[C@@H]12)c1ccc(Br)cc1[O-] ZINC000273363619 456225829 /nfs/dbraw/zinc/22/58/29/456225829.db2.gz DJSPMWOJGXABDG-CQDKDKBSSA-N 0 3 339.277 3.432 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)nc2)c([O-])c1C ZINC000273438416 456229854 /nfs/dbraw/zinc/22/98/54/456229854.db2.gz XPZLECOJVMMKMT-MRXNPFEDSA-N 0 3 341.455 3.091 20 10 EGCDHN Cc1ccc([C@@H](C)NCc2ccc(N3CCOCC3)nc2)c(O)c1C ZINC000273438416 456229857 /nfs/dbraw/zinc/22/98/57/456229857.db2.gz XPZLECOJVMMKMT-MRXNPFEDSA-N 0 3 341.455 3.091 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000273435196 456230726 /nfs/dbraw/zinc/23/07/26/456230726.db2.gz WUAIPJICESAHID-NVXWUHKLSA-N 0 3 326.440 3.326 20 10 EGCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000290073684 456233519 /nfs/dbraw/zinc/23/35/19/456233519.db2.gz FXYODKYIDOOMFY-IBGZPJMESA-N 0 3 333.378 3.098 20 10 EGCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000290073684 456233526 /nfs/dbraw/zinc/23/35/26/456233526.db2.gz FXYODKYIDOOMFY-IBGZPJMESA-N 0 3 333.378 3.098 20 10 EGCDHN Cc1ccc([C@H](C)N[C@@H]2CCCN(CC(F)(F)F)C2=O)c(O)c1C ZINC000273546850 456237289 /nfs/dbraw/zinc/23/72/89/456237289.db2.gz ZPKKIGLVHZPWSJ-GXTWGEPZSA-N 0 3 344.377 3.213 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)c([O-])c1C ZINC000273546850 456237295 /nfs/dbraw/zinc/23/72/95/456237295.db2.gz ZPKKIGLVHZPWSJ-GXTWGEPZSA-N 0 3 344.377 3.213 20 10 EGCDHN COc1cccc(N2CC[C@@H]([NH2+][C@H](C)c3cc(OC)ccc3[O-])C2)c1 ZINC000273612616 456241080 /nfs/dbraw/zinc/24/10/80/456241080.db2.gz WQHGXBNROQEIGC-HUUCEWRRSA-N 0 3 342.439 3.339 20 10 EGCDHN Cc1cc(N2CCC([NH2+][C@H]3CCc4cccc([O-])c43)CC2)nc(C)n1 ZINC000297856760 456311856 /nfs/dbraw/zinc/31/18/56/456311856.db2.gz TWSUJMSAITXMFF-KRWDZBQOSA-N 0 3 338.455 3.045 20 10 EGCDHN CCN(C)c1ccc([C@H](C)N[C@H]2COc3ccccc3[C@H]2O)cc1 ZINC000290385494 456313802 /nfs/dbraw/zinc/31/38/02/456313802.db2.gz RXPFGXATUDLVIL-ADLFWFRXSA-N 0 3 326.440 3.288 20 10 EGCDHN CN(C)c1ccc(CN2CC[C@](CO)(c3ccccc3)C2)cc1F ZINC000291262377 456583207 /nfs/dbraw/zinc/58/32/07/456583207.db2.gz NBHAFCWHPXARBU-FQEVSTJZSA-N 0 3 328.431 3.028 20 10 EGCDHN COc1cc([O-])c(C[NH2+]C[C@H]2CCC3(CCCCC3)O2)cc1OC ZINC000276813751 456588118 /nfs/dbraw/zinc/58/81/18/456588118.db2.gz OLOBVRSFVDXHRJ-OAHLLOKOSA-N 0 3 335.444 3.381 20 10 EGCDHN CNC(=O)c1ccc(CN(Cc2ccc(N(C)C)cc2)C2CC2)cc1 ZINC000299196801 456631279 /nfs/dbraw/zinc/63/12/79/456631279.db2.gz OZDXJHBOBOBLOU-UHFFFAOYSA-N 0 3 337.467 3.277 20 10 EGCDHN CCN(CC)[C@H](CNC(=O)NCc1ccccc1O)c1ccsc1 ZINC000299480599 456705824 /nfs/dbraw/zinc/70/58/24/456705824.db2.gz GWKPYQKUWZKQCF-MRXNPFEDSA-N 0 3 347.484 3.336 20 10 EGCDHN CC(C)N(C)CC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000299504699 456714115 /nfs/dbraw/zinc/71/41/15/456714115.db2.gz OZVIEFPRMHHZQD-UHFFFAOYSA-N 0 3 343.471 3.215 20 10 EGCDHN O=C(NCc1ccccc1O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000299557253 456726559 /nfs/dbraw/zinc/72/65/59/456726559.db2.gz YYJJOPSSURBDAF-GOSISDBHSA-N 0 3 339.439 3.029 20 10 EGCDHN Cc1c2ccccc2n(C)c1CNC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000352126239 457340522 /nfs/dbraw/zinc/34/05/22/457340522.db2.gz QZBYDJULPOASIV-DZKIICNBSA-N 0 3 327.472 3.364 20 10 EGCDHN C[C@H]([NH2+][C@@H]1CCc2cn[nH]c2C1)c1cc(Br)ccc1[O-] ZINC000370396123 457637648 /nfs/dbraw/zinc/63/76/48/457637648.db2.gz KHSHUEQNVCLUSE-JOYOIKCWSA-N 0 3 336.233 3.086 20 10 EGCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+]C[C@@H]2CCSC2)C1 ZINC000366746720 457894704 /nfs/dbraw/zinc/89/47/04/457894704.db2.gz RHRNAYZOUUXWQH-BBRMVZONSA-N 0 3 340.920 3.353 20 10 EGCDHN CCOc1cccc(C[NH+]2CCC(n3cc(Cl)cn3)CC2)c1[O-] ZINC000371669809 458027569 /nfs/dbraw/zinc/02/75/69/458027569.db2.gz IBWQXXLPDQWXHV-UHFFFAOYSA-N 0 3 335.835 3.478 20 10 EGCDHN CCOc1cccc(CN2CCC(n3cc(Cl)cn3)CC2)c1O ZINC000371669809 458027576 /nfs/dbraw/zinc/02/75/76/458027576.db2.gz IBWQXXLPDQWXHV-UHFFFAOYSA-N 0 3 335.835 3.478 20 10 EGCDHN CN1CCC2(CCN(Cc3ccc(N4CCCCC4)cc3)CC2)C1=O ZINC000369648602 458301553 /nfs/dbraw/zinc/30/15/53/458301553.db2.gz NJOLJNSETIZLFG-UHFFFAOYSA-N 0 3 341.499 3.121 20 10 EGCDHN Cc1cccc2c1N(C1CC1)CCN2C(=O)c1cccc2c1CCNC2 ZINC000662807633 461379186 /nfs/dbraw/zinc/37/91/86/461379186.db2.gz MJUGXOMUICYKIQ-UHFFFAOYSA-N 0 3 347.462 3.270 20 10 EGCDHN Cc1cc(C(=O)NC[C@H](C)N(C)C2CC2)c(C)n1-c1ccc(F)cc1 ZINC000727742076 574688058 /nfs/dbraw/zinc/68/80/58/574688058.db2.gz XLTNWKKJHUTATC-AWEZNQCLSA-N 0 3 343.446 3.446 20 10 EGCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccccc1C ZINC000727830955 574692970 /nfs/dbraw/zinc/69/29/70/574692970.db2.gz YAINEKAWFQXVSR-SFHVURJKSA-N 0 3 329.440 3.353 20 10 EGCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccccc1C ZINC000727830955 574692971 /nfs/dbraw/zinc/69/29/71/574692971.db2.gz YAINEKAWFQXVSR-SFHVURJKSA-N 0 3 329.440 3.353 20 10 EGCDHN CCOc1ccc(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2F)c([O-])c1 ZINC000734004164 575421452 /nfs/dbraw/zinc/42/14/52/575421452.db2.gz RGPPXLGEUVXIHZ-GOSISDBHSA-N 0 3 337.366 3.066 20 10 EGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCOC[C@@H]1CCCO1 ZINC000734507998 575504338 /nfs/dbraw/zinc/50/43/38/575504338.db2.gz AZXWSZIUXRXWKR-IBGZPJMESA-N 0 3 327.424 3.344 20 10 EGCDHN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000734520677 575507320 /nfs/dbraw/zinc/50/73/20/575507320.db2.gz JALSTONEHBKQQA-IAGOWNOFSA-N 0 3 346.519 3.123 20 10 EGCDHN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000741723391 576713595 /nfs/dbraw/zinc/71/35/95/576713595.db2.gz DIUAZDKRIOCQSH-FUHWJXTLSA-N 0 3 325.456 3.307 20 10 EGCDHN Cc1cc(C(=O)N[C@H]2CCN(C)[C@H](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000741725031 576714173 /nfs/dbraw/zinc/71/41/73/576714173.db2.gz QRSGUMWMPODZIN-DYVFJYSZSA-N 0 3 343.446 3.446 20 10 EGCDHN CCN(C)c1ccc(CN2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000741754885 576717477 /nfs/dbraw/zinc/71/74/77/576717477.db2.gz ZVSDJGZQQHHCKD-BBTUJRGHSA-N 0 3 345.531 3.216 20 10 EGCDHN CCN(CC)c1ccc(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)cc1F ZINC000742253425 576762725 /nfs/dbraw/zinc/76/27/25/576762725.db2.gz PSWXPSYIZNNPOY-GJZGRUSLSA-N 0 3 335.467 3.161 20 10 EGCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000743869820 576817891 /nfs/dbraw/zinc/81/78/91/576817891.db2.gz BOMIFILKAYPNNU-BRWVUGGUSA-N 0 3 332.488 3.497 20 10 EGCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000743869820 576817892 /nfs/dbraw/zinc/81/78/92/576817892.db2.gz BOMIFILKAYPNNU-BRWVUGGUSA-N 0 3 332.488 3.497 20 10 EGCDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)Cc1cc2c(cc1O)OCO2 ZINC000057103857 1291844792 /nfs/dbraw/zinc/84/47/92/1291844792.db2.gz FBPDIQVAZKEPLG-UHFFFAOYSA-N 0 3 344.367 3.440 20 10 EGCDHN CCCN(Cc1ccccc1O)[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000076074192 1292418731 /nfs/dbraw/zinc/41/87/31/1292418731.db2.gz JLWJWFUEUFJVKA-LJQANCHMSA-N 0 3 326.440 3.434 20 10 EGCDHN CCOc1ccc(O)c(CN(C)[C@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000093360316 1292917407 /nfs/dbraw/zinc/91/74/07/1292917407.db2.gz KJLHHMIRCAAAKC-CYBMUJFWSA-N 0 3 338.448 3.136 20 10 EGCDHN COC(=O)C[C@@H]1CSCCN1Cc1ccc(N2CCCCC2)cc1 ZINC000093610483 1292925190 /nfs/dbraw/zinc/92/51/90/1292925190.db2.gz JPQBOXVXNAHGCK-GOSISDBHSA-N 0 3 348.512 3.157 20 10 EGCDHN C[N@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)Cc1ccccc1[O-] ZINC000111236067 1293102251 /nfs/dbraw/zinc/10/22/51/1293102251.db2.gz LUTWQGZRVWSGPF-LJQANCHMSA-N 0 3 338.451 3.408 20 10 EGCDHN C[N@@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)Cc1ccccc1[O-] ZINC000111236067 1293102254 /nfs/dbraw/zinc/10/22/54/1293102254.db2.gz LUTWQGZRVWSGPF-LJQANCHMSA-N 0 3 338.451 3.408 20 10 EGCDHN Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834534174 1293112873 /nfs/dbraw/zinc/11/28/73/1293112873.db2.gz HEWXSGBASLCKLT-DLBZAZTESA-N 0 3 327.424 3.026 20 10 EGCDHN Cc1n[nH]c(C)c1C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000113359236 1293147970 /nfs/dbraw/zinc/14/79/70/1293147970.db2.gz OAXOZMUOIVWEPP-MRXNPFEDSA-N 0 3 348.878 3.140 20 10 EGCDHN C[C@]1(C[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])CCC(=O)N1 ZINC000834910521 1293174314 /nfs/dbraw/zinc/17/43/14/1293174314.db2.gz XANRGNLJDUSSLM-WIYYLYMNSA-N 0 3 338.451 3.324 20 10 EGCDHN CC[C@H]([NH2+][C@H](C)C(=O)NCCc1ccccc1)c1ccc(C)cc1[O-] ZINC000834913603 1293175110 /nfs/dbraw/zinc/17/51/10/1293175110.db2.gz IDNXJJXRDBGSPG-APWZRJJASA-N 0 3 340.467 3.489 20 10 EGCDHN CCCCNC(=O)CCN(Cc1ccco1)Cc1ccccc1O ZINC000116279379 1293203420 /nfs/dbraw/zinc/20/34/20/1293203420.db2.gz JHGXOCPXQOBLQA-UHFFFAOYSA-N 0 3 330.428 3.294 20 10 EGCDHN Cc1cc(C)c(O)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000125715537 1293515471 /nfs/dbraw/zinc/51/54/71/1293515471.db2.gz LEVCXTXPOSALSP-UHFFFAOYSA-N 0 3 341.411 3.239 20 10 EGCDHN CCOC(=O)CCN(Cc1cccnc1)Cc1cc(C)cc(C)c1O ZINC000164220770 1294345782 /nfs/dbraw/zinc/34/57/82/1294345782.db2.gz MJZGHUHAHZUVTK-UHFFFAOYSA-N 0 3 342.439 3.359 20 10 EGCDHN COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+]Cc1ccccc1[O-] ZINC000176763114 1294629960 /nfs/dbraw/zinc/62/99/60/1294629960.db2.gz YPYWKKYGZYHHHB-UHFFFAOYSA-N 0 3 348.830 3.481 20 10 EGCDHN COc1ccc(CN2CCN(Cc3cccc(C)c3O)CC2)cc1F ZINC000179602867 1294808193 /nfs/dbraw/zinc/80/81/93/1294808193.db2.gz AMJIBELYBNURTO-UHFFFAOYSA-N 0 3 344.430 3.166 20 10 EGCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2ccc(C)cc2C)c1 ZINC000182319887 1295035495 /nfs/dbraw/zinc/03/54/95/1295035495.db2.gz FULBQJPMZPEOBP-CQSZACIVSA-N 0 3 328.412 3.307 20 10 EGCDHN COC(=O)CC(C)(C)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183163819 1295102837 /nfs/dbraw/zinc/10/28/37/1295102837.db2.gz MZYDDYGEMMDPBL-UHFFFAOYSA-N 0 3 343.423 3.403 20 10 EGCDHN CCOC(=O)N[C@@H](C[NH2+][C@H](C)c1cc(F)ccc1[O-])CC(C)C ZINC000184949771 1295231196 /nfs/dbraw/zinc/23/11/96/1295231196.db2.gz SYFJRKTWEBKOPE-TZMCWYRMSA-N 0 3 326.412 3.343 20 10 EGCDHN C[C@H](Nc1ccc(N2CCN(C)CC2)cc1)c1ccc(F)cc1O ZINC000186401273 1295324155 /nfs/dbraw/zinc/32/41/55/1295324155.db2.gz TWBSIYTYRKDPOZ-AWEZNQCLSA-N 0 3 329.419 3.456 20 10 EGCDHN CC(=O)Nc1cccc2c1CCN(Cc1cc3c(cc1O)CCC3)C2 ZINC000193438436 1295869020 /nfs/dbraw/zinc/86/90/20/1295869020.db2.gz MILRJZLVDMAULI-UHFFFAOYSA-N 0 3 336.435 3.398 20 10 EGCDHN CC(C)[C@@H](C[NH2+]Cc1cc(Br)ccc1[O-])N1CCCC1 ZINC000227436858 1296143877 /nfs/dbraw/zinc/14/38/77/1296143877.db2.gz BUTSCXIUJNBGRL-OAHLLOKOSA-N 0 3 341.293 3.365 20 10 EGCDHN CCCCNC(=O)C1(NCc2ccc3c(c2)CCO3)CCCCC1 ZINC000236781263 1296203759 /nfs/dbraw/zinc/20/37/59/1296203759.db2.gz DJXNLWXOFYDIKF-UHFFFAOYSA-N 0 3 330.472 3.330 20 10 EGCDHN COc1ccc(OC)c([C@H](O)[C@H](C)[NH2+][C@@H](C)c2ccc(C)cc2[O-])c1 ZINC000872137161 1296762592 /nfs/dbraw/zinc/76/25/92/1296762592.db2.gz OFFKLDYMMRNHCT-PJSUUKDQSA-N 0 3 345.439 3.491 20 10 EGCDHN Cc1ccc(C)n1-c1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000303858303 1296860424 /nfs/dbraw/zinc/86/04/24/1296860424.db2.gz GUJAZOFOFZGRGF-IBGZPJMESA-N 0 3 325.456 3.260 20 10 EGCDHN C[C@H](NCc1ccccc1CO)c1ccc(N2CCOCC2)c(F)c1 ZINC000305156756 1296987023 /nfs/dbraw/zinc/98/70/23/1296987023.db2.gz VXPJUVVJUWHRKX-HNNXBMFYSA-N 0 3 344.430 3.005 20 10 EGCDHN CC(C)(C)OC(=O)NC[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)C1CC1 ZINC000393828087 1297672192 /nfs/dbraw/zinc/67/21/92/1297672192.db2.gz IQKZQINADRHXIM-CABCVRRESA-N 0 3 332.444 3.272 20 10 EGCDHN Nc1c(F)cccc1CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000876531643 1298809416 /nfs/dbraw/zinc/80/94/16/1298809416.db2.gz LERGDKWSGZWNLC-INIZCTEOSA-N 0 3 330.403 3.295 20 10 EGCDHN Cc1cccc([O-])c1C[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000876639882 1298888481 /nfs/dbraw/zinc/88/84/81/1298888481.db2.gz XPRZWLMYYBQRSE-UHFFFAOYSA-N 0 3 330.453 3.157 20 10 EGCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000876662873 1298905486 /nfs/dbraw/zinc/90/54/86/1298905486.db2.gz PKPDHJBFQPBICX-KRWDZBQOSA-N 0 3 338.451 3.343 20 10 EGCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000876662873 1298905492 /nfs/dbraw/zinc/90/54/92/1298905492.db2.gz PKPDHJBFQPBICX-KRWDZBQOSA-N 0 3 338.451 3.343 20 10 EGCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000876994767 1299105573 /nfs/dbraw/zinc/10/55/73/1299105573.db2.gz MSNYERYHUOOTDA-HNNXBMFYSA-N 0 3 334.460 3.437 20 10 EGCDHN Cc1ccc(C[NH2+]CCC2CCN(CC(F)(F)F)CC2)c([O-])c1 ZINC000877082072 1299149273 /nfs/dbraw/zinc/14/92/73/1299149273.db2.gz MWQHUNSPKQBJIF-UHFFFAOYSA-N 0 3 330.394 3.455 20 10 EGCDHN CO[C@]1(CN(Cc2ccco2)Cc2ccc(N(C)C)cc2)CCOC1 ZINC000877523383 1299367214 /nfs/dbraw/zinc/36/72/14/1299367214.db2.gz YLAIPGZDZLIJFN-FQEVSTJZSA-N 0 3 344.455 3.153 20 10 EGCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000877574159 1299408962 /nfs/dbraw/zinc/40/89/62/1299408962.db2.gz BTCIHXKJEXPMFR-CABCVRRESA-N 0 3 334.460 3.484 20 10 EGCDHN C[C@@H]([NH2+][C@H](C)[C@H]1CN(Cc2ccccc2)CCO1)c1ccccc1[O-] ZINC000877756459 1299532917 /nfs/dbraw/zinc/53/29/17/1299532917.db2.gz JSELGCAXXXBILT-CBGDNZLLSA-N 0 3 340.467 3.332 20 10 EGCDHN O=C(CN(Cc1ccccc1O)C1CCCC1)Nc1ccccn1 ZINC000878103731 1299750735 /nfs/dbraw/zinc/75/07/35/1299750735.db2.gz NRPWVMNFDSTWON-UHFFFAOYSA-N 0 3 325.412 3.171 20 10 EGCDHN C[C@@]1(C[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CCOC1 ZINC000753566724 1299975597 /nfs/dbraw/zinc/97/55/97/1299975597.db2.gz UKCHSDIOMLCOCF-FQEVSTJZSA-N 0 3 327.424 3.487 20 10 EGCDHN C[C@H]1C[C@@H]([NH2+]CCCN2C[C@@H](C)O[C@H](C)C2)c2c1c(F)ccc2[O-] ZINC000756369185 1300476938 /nfs/dbraw/zinc/47/69/38/1300476938.db2.gz RRUQABRVASCEOT-DSJMHWKBSA-N 0 3 336.451 3.169 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+]CCC(=O)N2CCCCCC2)c2c1c(F)ccc2[O-] ZINC000756507588 1300510585 /nfs/dbraw/zinc/51/05/85/1300510585.db2.gz CVDVKLPCXQHYEG-UKRRQHHQSA-N 0 3 334.435 3.462 20 10 EGCDHN C[C@H]1C[C@H]([NH2+]CC2(C(=O)N(C)C)CCCC2)c2c1c(F)ccc2[O-] ZINC000756575900 1300525384 /nfs/dbraw/zinc/52/53/84/1300525384.db2.gz RDJCGJFWIYZUQV-JSGCOSHPSA-N 0 3 334.435 3.318 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+]Cc2cccc(-n3cncn3)c2)c2c1c(F)ccc2[O-] ZINC000756587781 1300527316 /nfs/dbraw/zinc/52/73/16/1300527316.db2.gz CKYXNOISUVUKNU-WBMJQRKESA-N 0 3 338.386 3.450 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)c2c1c(F)ccc2[O-] ZINC000756657699 1300542566 /nfs/dbraw/zinc/54/25/66/1300542566.db2.gz FNCLJGPCXQXDHH-IWCQGFGOSA-N 0 3 348.462 3.313 20 10 EGCDHN CC1(C)OCC([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CO1 ZINC000758010571 1300769970 /nfs/dbraw/zinc/76/99/70/1300769970.db2.gz OXQYVWJLAAQIQH-UHFFFAOYSA-N 0 3 343.423 3.212 20 10 EGCDHN C[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1)c1cc(F)ccc1[O-] ZINC000760040922 1301212474 /nfs/dbraw/zinc/21/24/74/1301212474.db2.gz MXCVNCWZHCJRGR-KHDYIWLOSA-N 0 3 333.378 3.487 20 10 EGCDHN C[C@H]1C[C@H]([NH2+]CCCN2CCCO[C@H](C)C2)c2c1c(F)ccc2[O-] ZINC000762648468 1301721504 /nfs/dbraw/zinc/72/15/04/1301721504.db2.gz IZWKVLOXIFDFCC-LZWOXQAQSA-N 0 3 336.451 3.170 20 10 EGCDHN CC[C@H](C(=O)NCc1ccc(N(C)C2CCCCC2)cc1)N(C)C ZINC000764386072 1302055230 /nfs/dbraw/zinc/05/52/30/1302055230.db2.gz HCUJZGJICVJLGA-LJQANCHMSA-N 0 3 331.504 3.412 20 10 EGCDHN C[C@@H](Cn1ccnc1)N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000764889234 1302158638 /nfs/dbraw/zinc/15/86/38/1302158638.db2.gz KNAZBIOYJHXAMN-GJZGRUSLSA-N 0 3 348.878 3.112 20 10 EGCDHN [O-]c1ccc2ccncc2c1CN1CC[NH+](C2CCCCC2)CC1 ZINC000765118147 1302206704 /nfs/dbraw/zinc/20/67/04/1302206704.db2.gz JUVYDSNYHUFXAA-UHFFFAOYSA-N 0 3 325.456 3.391 20 10 EGCDHN CN(C)c1ccc(CNCc2cccc(C3(C)OCCO3)c2)cc1F ZINC000883127878 1302264197 /nfs/dbraw/zinc/26/41/97/1302264197.db2.gz LCYXDHMDJRVPJN-UHFFFAOYSA-N 0 3 344.430 3.401 20 10 EGCDHN CC[C@@H](NCc1ccc(N2CCCCC2)cc1)[C@@H](O)C(F)(F)F ZINC000765786775 1302326947 /nfs/dbraw/zinc/32/69/47/1302326947.db2.gz IQGCNKFAFKOLME-HZPDHXFCSA-N 0 3 330.394 3.468 20 10 EGCDHN Cc1nc([C@@H](C)NCc2ccc(N3CCN(C)CC3)cc2)c(C)s1 ZINC000883289178 1302368133 /nfs/dbraw/zinc/36/81/33/1302368133.db2.gz GZQCVXFPMWDCLG-CQSZACIVSA-N 0 3 344.528 3.363 20 10 EGCDHN C[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)c1ccncc1Cl ZINC000883291150 1302369684 /nfs/dbraw/zinc/36/96/84/1302369684.db2.gz UGIDPBQXHPJSMU-OAHLLOKOSA-N 0 3 344.890 3.338 20 10 EGCDHN CCOc1ccc(C[N@H+](CC)C[C@@H]2COc3ccccc3O2)c([O-])c1 ZINC000768178235 1302845348 /nfs/dbraw/zinc/84/53/48/1302845348.db2.gz FZYNBNYDGSVUNS-QGZVFWFLSA-N 0 3 343.423 3.453 20 10 EGCDHN CCOc1ccc(C[N@@H+](CC)C[C@@H]2COc3ccccc3O2)c([O-])c1 ZINC000768178235 1302845354 /nfs/dbraw/zinc/84/53/54/1302845354.db2.gz FZYNBNYDGSVUNS-QGZVFWFLSA-N 0 3 343.423 3.453 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](Cc3ccc(F)cc3)C1)[C@H](O)CO2 ZINC000768445839 1302907085 /nfs/dbraw/zinc/90/70/85/1302907085.db2.gz INACFCXPJCRWMM-IFXJQAMLSA-N 0 3 343.398 3.022 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](Cc3ccc(F)cc3)C1)[C@H](O)CO2 ZINC000768445839 1302907094 /nfs/dbraw/zinc/90/70/94/1302907094.db2.gz INACFCXPJCRWMM-IFXJQAMLSA-N 0 3 343.398 3.022 20 10 EGCDHN Cc1ccccc1[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768444620 1302907459 /nfs/dbraw/zinc/90/74/59/1302907459.db2.gz MRCPXIZNDQGPHX-AUUYWEPGSA-N 0 3 325.408 3.116 20 10 EGCDHN Cc1ccccc1[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768444620 1302907469 /nfs/dbraw/zinc/90/74/69/1302907469.db2.gz MRCPXIZNDQGPHX-AUUYWEPGSA-N 0 3 325.408 3.116 20 10 EGCDHN COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768452843 1302909490 /nfs/dbraw/zinc/90/94/90/1302909490.db2.gz TWEUKYMBDTVEGW-FUHWJXTLSA-N 0 3 341.407 3.164 20 10 EGCDHN COc1ccccc1[C@@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768452843 1302909495 /nfs/dbraw/zinc/90/94/95/1302909495.db2.gz TWEUKYMBDTVEGW-FUHWJXTLSA-N 0 3 341.407 3.164 20 10 EGCDHN CCOc1cccc(CN2CCC([C@](C)(O)C(F)(F)F)CC2)c1O ZINC000768531613 1302927289 /nfs/dbraw/zinc/92/72/89/1302927289.db2.gz GRYRJDXTQDMACX-INIZCTEOSA-N 0 3 347.377 3.316 20 10 EGCDHN CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2ccc(OCC)cc2[O-])C1 ZINC000769007613 1303030534 /nfs/dbraw/zinc/03/05/34/1303030534.db2.gz VSMDXRVWVBGFBD-RDJZCZTQSA-N 0 3 348.487 3.308 20 10 EGCDHN CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(OCC)cc2[O-])C1 ZINC000769007613 1303030539 /nfs/dbraw/zinc/03/05/39/1303030539.db2.gz VSMDXRVWVBGFBD-RDJZCZTQSA-N 0 3 348.487 3.308 20 10 EGCDHN COc1cc(Br)cc(C[N@H+](CCO)CC(C)(C)C)c1[O-] ZINC000769338569 1303095588 /nfs/dbraw/zinc/09/55/88/1303095588.db2.gz QINRNPQKJKDFMO-UHFFFAOYSA-N 0 3 346.265 3.004 20 10 EGCDHN COc1cc(Br)cc(C[N@@H+](CCO)CC(C)(C)C)c1[O-] ZINC000769338569 1303095592 /nfs/dbraw/zinc/09/55/92/1303095592.db2.gz QINRNPQKJKDFMO-UHFFFAOYSA-N 0 3 346.265 3.004 20 10 EGCDHN COCCN(Cc1ccc2c(c1)OCO2)Cc1cc(C)c(C)cc1O ZINC000769400378 1303106874 /nfs/dbraw/zinc/10/68/74/1303106874.db2.gz SRQAAWUZAUSHFH-UHFFFAOYSA-N 0 3 343.423 3.386 20 10 EGCDHN O=[N+]([O-])c1cc(CN2CC[C@]3(CCOC3)C2)ccc1N1CCCCC1 ZINC000769531463 1303135831 /nfs/dbraw/zinc/13/58/31/1303135831.db2.gz GCLUQMCAAHLVDS-IBGZPJMESA-N 0 3 345.443 3.198 20 10 EGCDHN CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc([O-])cs1 ZINC000769654826 1303153187 /nfs/dbraw/zinc/15/31/87/1303153187.db2.gz VZTKHIZQUNSHCI-INIZCTEOSA-N 0 3 332.469 3.340 20 10 EGCDHN CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cc([O-])cs1 ZINC000769654826 1303153191 /nfs/dbraw/zinc/15/31/91/1303153191.db2.gz VZTKHIZQUNSHCI-INIZCTEOSA-N 0 3 332.469 3.340 20 10 EGCDHN COc1ccc(C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000769712983 1303163259 /nfs/dbraw/zinc/16/32/59/1303163259.db2.gz ZGGPMDXLVFFJNW-UHFFFAOYSA-N 0 3 335.444 3.391 20 10 EGCDHN CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1ccc(N(C)CC)cc1 ZINC000773754753 1303735610 /nfs/dbraw/zinc/73/56/10/1303735610.db2.gz NMOSBRNGYOQPIL-OALUTQOASA-N 0 3 331.504 3.364 20 10 EGCDHN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)NC1CCC(C)CC1 ZINC000774486768 1303816517 /nfs/dbraw/zinc/81/65/17/1303816517.db2.gz XQUQDBAAOQACJB-BNQMIIOLSA-N 0 3 331.504 3.487 20 10 EGCDHN CC[C@@H]([NH2+]CCN1CCN(c2ccccc2)CC1)c1ccccc1[O-] ZINC000775488885 1303971907 /nfs/dbraw/zinc/97/19/07/1303971907.db2.gz WCHQLCXOGUBYSR-HXUWFJFHSA-N 0 3 339.483 3.255 20 10 EGCDHN CC[N@@H+](Cc1cc(Br)cc(C)c1[O-])C[C@H]1CCOC1 ZINC000775654013 1304004787 /nfs/dbraw/zinc/00/47/87/1304004787.db2.gz RGTVDBBUCYETBS-GFCCVEGCSA-N 0 3 328.250 3.322 20 10 EGCDHN CC[N@H+](Cc1cc(Br)cc(C)c1[O-])C[C@H]1CCOC1 ZINC000775654013 1304004794 /nfs/dbraw/zinc/00/47/94/1304004794.db2.gz RGTVDBBUCYETBS-GFCCVEGCSA-N 0 3 328.250 3.322 20 10 EGCDHN C[C@@H]1CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@H](C)CN1C ZINC000775984359 1304074904 /nfs/dbraw/zinc/07/49/04/1304074904.db2.gz FQOLNTDDIULJFJ-HZPDHXFCSA-N 0 3 346.475 3.110 20 10 EGCDHN COC(=O)CCC[N@H+](Cc1ccccc1)Cc1cc(F)ccc1[O-] ZINC000779033392 1304521228 /nfs/dbraw/zinc/52/12/28/1304521228.db2.gz MEPWBNZWQVTTRL-UHFFFAOYSA-N 0 3 331.387 3.487 20 10 EGCDHN COC(=O)CCC[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1[O-] ZINC000779033392 1304521234 /nfs/dbraw/zinc/52/12/34/1304521234.db2.gz MEPWBNZWQVTTRL-UHFFFAOYSA-N 0 3 331.387 3.487 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@@H]1CCn2ccnc2C1 ZINC000779191225 1304541085 /nfs/dbraw/zinc/54/10/85/1304541085.db2.gz FTBPMBNQAVTUMR-GOSISDBHSA-N 0 3 349.434 3.272 20 10 EGCDHN C[C@H](NC(=O)c1cc([O-])cs1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000779326595 1304557137 /nfs/dbraw/zinc/55/71/37/1304557137.db2.gz WXPUNEBVIJNXGM-DZGCQCFKSA-N 0 3 330.453 3.094 20 10 EGCDHN C[C@H](NC(=O)c1cc([O-])cs1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000779326595 1304557146 /nfs/dbraw/zinc/55/71/46/1304557146.db2.gz WXPUNEBVIJNXGM-DZGCQCFKSA-N 0 3 330.453 3.094 20 10 EGCDHN Cc1cc(CN(C)C)cc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000779543595 1304582606 /nfs/dbraw/zinc/58/26/06/1304582606.db2.gz XLWPNFQSCIIWMR-ALCCZGGFSA-N 0 3 326.396 3.120 20 10 EGCDHN C[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1cccs1 ZINC000891251528 1305000757 /nfs/dbraw/zinc/00/07/57/1305000757.db2.gz FYIDPXFEEKETNF-RHSMWYFYSA-N 0 3 345.512 3.337 20 10 EGCDHN COc1cc([C@H](C)[NH2+][C@H](C)c2ccccc2[O-])ccc1OCCO ZINC000783504439 1305100081 /nfs/dbraw/zinc/10/00/81/1305100081.db2.gz MSRJIWFQHPFJBH-UONOGXRCSA-N 0 3 331.412 3.184 20 10 EGCDHN COc1cccc(O)c1CN1CCC(Oc2cc(C)ccn2)CC1 ZINC000783594041 1305113627 /nfs/dbraw/zinc/11/36/27/1305113627.db2.gz STQHPRYISPWOCI-UHFFFAOYSA-N 0 3 328.412 3.148 20 10 EGCDHN COc1cccc([O-])c1C[NH+]1CCC(Oc2cc(C)ccn2)CC1 ZINC000783594041 1305113631 /nfs/dbraw/zinc/11/36/31/1305113631.db2.gz STQHPRYISPWOCI-UHFFFAOYSA-N 0 3 328.412 3.148 20 10 EGCDHN COc1ccc(N2CCCN(Cc3ccc(O)c(F)c3)CC2)cc1 ZINC000891776237 1305161798 /nfs/dbraw/zinc/16/17/98/1305161798.db2.gz YKELFSRQNDMNEC-UHFFFAOYSA-N 0 3 330.403 3.252 20 10 EGCDHN Fc1cc(CN2CCC([C@H]3CCCO3)CC2)ccc1N1CCOCC1 ZINC000784664657 1305269610 /nfs/dbraw/zinc/26/96/10/1305269610.db2.gz OJQISSKIIPFYOC-HXUWFJFHSA-N 0 3 348.462 3.053 20 10 EGCDHN NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000787422665 1305742844 /nfs/dbraw/zinc/74/28/44/1305742844.db2.gz IJLKWSUALBWGPN-HQRMLTQVSA-N 0 3 336.435 3.145 20 10 EGCDHN NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000787422665 1305742849 /nfs/dbraw/zinc/74/28/49/1305742849.db2.gz IJLKWSUALBWGPN-HQRMLTQVSA-N 0 3 336.435 3.145 20 10 EGCDHN COc1cc([C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)ccn1 ZINC000788564147 1305971940 /nfs/dbraw/zinc/97/19/40/1305971940.db2.gz PXBFYJYPDYRAIJ-HZPDHXFCSA-N 0 3 341.455 3.339 20 10 EGCDHN CCOc1ccc(C[N@H+](C)[C@H](COC)Cc2ccccc2)c([O-])c1 ZINC000789586812 1306188089 /nfs/dbraw/zinc/18/80/89/1306188089.db2.gz QDGRPQXRUJXYQE-SFHVURJKSA-N 0 3 329.440 3.480 20 10 EGCDHN CCOc1ccc(C[N@@H+](C)[C@H](COC)Cc2ccccc2)c([O-])c1 ZINC000789586812 1306188094 /nfs/dbraw/zinc/18/80/94/1306188094.db2.gz QDGRPQXRUJXYQE-SFHVURJKSA-N 0 3 329.440 3.480 20 10 EGCDHN COc1cc(C)cc(CNCc2ccc(Br)cn2)c1O ZINC000895457039 1309347190 /nfs/dbraw/zinc/34/71/90/1309347190.db2.gz CRSXRFFTOSRZLB-UHFFFAOYSA-N 0 3 337.217 3.157 20 10 EGCDHN CCc1nc(C)c(CN2CCCN(c3ccc(OC)cc3)CC2)o1 ZINC000794290055 1309500603 /nfs/dbraw/zinc/50/06/03/1309500603.db2.gz YFLIUUSQWUMPEC-UHFFFAOYSA-N 0 3 329.444 3.266 20 10 EGCDHN CC[C@@H](NCc1ccc(S(C)(=O)=O)s1)c1ccc(C)cc1O ZINC000794814588 1309599915 /nfs/dbraw/zinc/59/99/15/1309599915.db2.gz MIPWPRBCTIVFRD-CQSZACIVSA-N 0 3 339.482 3.407 20 10 EGCDHN CCC[C@]1([NH2+]Cc2cc(Br)cc(OC)c2[O-])CCOC1 ZINC000796489744 1310013199 /nfs/dbraw/zinc/01/31/99/1310013199.db2.gz CBUREYSPMKFBIA-HNNXBMFYSA-N 0 3 344.249 3.212 20 10 EGCDHN CO[C@H]([C@@H](C)[NH2+]Cc1cc(Br)cc(C)c1[O-])C1CC1 ZINC000825098282 1320309992 /nfs/dbraw/zinc/30/99/92/1320309992.db2.gz FUZNQZUYPHJTOJ-MEBBXXQBSA-N 0 3 328.250 3.366 20 10 EGCDHN COc1cccc(C[N@H+](C)C2CCN(CCC(F)(F)F)CC2)c1[O-] ZINC000825331671 1320328969 /nfs/dbraw/zinc/32/89/69/1320328969.db2.gz KZGWALYIFJEUED-UHFFFAOYSA-N 0 3 346.393 3.249 20 10 EGCDHN COc1cccc(C[N@@H+](C)C2CCN(CCC(F)(F)F)CC2)c1[O-] ZINC000825331671 1320328971 /nfs/dbraw/zinc/32/89/71/1320328971.db2.gz KZGWALYIFJEUED-UHFFFAOYSA-N 0 3 346.393 3.249 20 10 EGCDHN O=C(c1cc([O-])cs1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000899446411 1317041096 /nfs/dbraw/zinc/04/10/96/1317041096.db2.gz HBLFHHOCKHXVGD-JKSUJKDBSA-N 0 3 342.464 3.048 20 10 EGCDHN O=C(c1cc([O-])cs1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000899446411 1317041102 /nfs/dbraw/zinc/04/11/02/1317041102.db2.gz HBLFHHOCKHXVGD-JKSUJKDBSA-N 0 3 342.464 3.048 20 10 EGCDHN O=C(C1=CC(=O)CS1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000899446411 1317041107 /nfs/dbraw/zinc/04/11/07/1317041107.db2.gz HBLFHHOCKHXVGD-JKSUJKDBSA-N 0 3 342.464 3.048 20 10 EGCDHN CN(C)c1ccc([C@@H](CNC(=S)Nc2ccsc2)N(C)C)cc1 ZINC000899724422 1317139295 /nfs/dbraw/zinc/13/92/95/1317139295.db2.gz NFXFJWQUNPIABL-MRXNPFEDSA-N 0 3 348.541 3.403 20 10 EGCDHN Cc1nc([C@@H](C)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cs1 ZINC000903449651 1317701841 /nfs/dbraw/zinc/70/18/41/1317701841.db2.gz ZAIDLLBOTPIAHF-ACJLOTCBSA-N 0 3 332.517 3.471 20 10 EGCDHN COC(=O)N1CCC([NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])CC1 ZINC000808680281 1317714991 /nfs/dbraw/zinc/71/49/91/1317714991.db2.gz JWUBTJAVJTWXDS-NSHDSACASA-N 0 3 326.824 3.235 20 10 EGCDHN COCCN1CCC([NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])CC1 ZINC000808681162 1317715560 /nfs/dbraw/zinc/71/55/60/1317715560.db2.gz VUSPNBWPNDKBIY-ZDUSSCGKSA-N 0 3 326.868 3.115 20 10 EGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C2CCN(c3cccnn3)CC2)c1[O-] ZINC000808715146 1317720208 /nfs/dbraw/zinc/72/02/08/1317720208.db2.gz ANJQFHFIEBBHTC-CYBMUJFWSA-N 0 3 346.862 3.464 20 10 EGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCCCS(C)(=O)=O)c1[O-] ZINC000808712961 1317721358 /nfs/dbraw/zinc/72/13/58/1317721358.db2.gz CSODUMWYMOIFDK-GFCCVEGCSA-N 0 3 333.881 3.220 20 10 EGCDHN COc1cccc([O-])c1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000809698826 1317868185 /nfs/dbraw/zinc/86/81/85/1317868185.db2.gz HBEKOEGLNAWMHV-NEWSRXKRSA-N 0 3 339.435 3.405 20 10 EGCDHN COc1cccc([O-])c1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000809698826 1317868189 /nfs/dbraw/zinc/86/81/89/1317868189.db2.gz HBEKOEGLNAWMHV-NEWSRXKRSA-N 0 3 339.435 3.405 20 10 EGCDHN CCOc1ccc(CN(CC(=O)N2CCCCCC2)C(C)C)c(O)c1 ZINC000809714835 1317873351 /nfs/dbraw/zinc/87/33/51/1317873351.db2.gz SJXJZYAGRJECMC-UHFFFAOYSA-N 0 3 348.487 3.404 20 10 EGCDHN CN(C)c1ccc(OC[C@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000809999895 1317934479 /nfs/dbraw/zinc/93/44/79/1317934479.db2.gz BDHSNSGOICCRHA-OAQYLSRUSA-N 0 3 340.467 3.423 20 10 EGCDHN CCOc1ccc(C[NH2+]Cc2cc(C)nc(N3CCCC3)c2)c([O-])c1 ZINC000810169443 1317967906 /nfs/dbraw/zinc/96/79/06/1317967906.db2.gz XOGZUMBFRGUTPR-UHFFFAOYSA-N 0 3 341.455 3.384 20 10 EGCDHN CO[C@@H](C)[C@@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000810257190 1317988064 /nfs/dbraw/zinc/98/80/64/1317988064.db2.gz MSBUITMWFFOGGZ-RDBSUJKOSA-N 0 3 326.868 3.251 20 10 EGCDHN C[C@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)c2c1c(F)ccc2[O-] ZINC000858537688 1328791407 /nfs/dbraw/zinc/79/14/07/1328791407.db2.gz POVBJGJUUJLTPO-GHFQWVAPSA-N 0 3 344.386 3.300 20 10 EGCDHN CO[C@H](CN[C@H](C)c1ccc(N2CCOCC2)cc1Cl)C1CC1 ZINC000815651339 1319036459 /nfs/dbraw/zinc/03/64/59/1319036459.db2.gz QGZRSVBGHXNVSL-FZKQIMNGSA-N 0 3 338.879 3.252 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)c1[O-] ZINC000816656446 1319201981 /nfs/dbraw/zinc/20/19/81/1319201981.db2.gz RZVKPFQUHIPEPJ-QGZVFWFLSA-N 0 3 337.847 3.445 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)c1[O-] ZINC000816656446 1319201996 /nfs/dbraw/zinc/20/19/96/1319201996.db2.gz RZVKPFQUHIPEPJ-QGZVFWFLSA-N 0 3 337.847 3.445 20 10 EGCDHN CCN(CC)CC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000915215983 1319445510 /nfs/dbraw/zinc/44/55/10/1319445510.db2.gz FWRKJGJQGLXCQL-UHFFFAOYSA-N 0 3 343.471 3.216 20 10 EGCDHN C[C@H](NC[C@H]1CCCC[NH2+]1)c1cc(Br)cc(F)c1[O-] ZINC000817950703 1319475338 /nfs/dbraw/zinc/47/53/38/1319475338.db2.gz XKALTYINBLRDDB-GXSJLCMTSA-N 0 3 331.229 3.087 20 10 EGCDHN C[C@H]([NH2+]C[C@H]1CCCCN1)c1cc(Br)cc(F)c1[O-] ZINC000817950703 1319475341 /nfs/dbraw/zinc/47/53/41/1319475341.db2.gz XKALTYINBLRDDB-GXSJLCMTSA-N 0 3 331.229 3.087 20 10 EGCDHN Cc1cc([O-])c(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1Cl ZINC000824938189 1320297993 /nfs/dbraw/zinc/29/79/93/1320297993.db2.gz GSERLZCQAJWPSY-YXJHDRRASA-N 0 3 338.879 3.038 20 10 EGCDHN CCO[C@@H]1COC[C@H]1NCc1ccc(N(C)Cc2cccs2)cc1 ZINC000825196396 1320317635 /nfs/dbraw/zinc/31/76/35/1320317635.db2.gz FXHWWYGQDMYQDN-RTBURBONSA-N 0 3 346.496 3.278 20 10 EGCDHN C[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])C1(CO)CC1 ZINC000826990227 1320418831 /nfs/dbraw/zinc/41/88/31/1320418831.db2.gz BZVYFPHAGHQQIA-OAHLLOKOSA-N 0 3 327.424 3.222 20 10 EGCDHN Cc1cc(CN[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)no1 ZINC000838945997 1320839521 /nfs/dbraw/zinc/83/95/21/1320839521.db2.gz VTWPZDRCODMFQU-OAHLLOKOSA-N 0 3 335.835 3.096 20 10 EGCDHN Cc1ccc(CNCc2cc(F)c(N3CCOCC3)c(F)c2)s1 ZINC000839146694 1320880323 /nfs/dbraw/zinc/88/03/23/1320880323.db2.gz RGRSXUFQRSNYDK-UHFFFAOYSA-N 0 3 338.423 3.461 20 10 EGCDHN COc1cc(Br)cc(C[NH2+]C2CCC(OC)CC2)c1[O-] ZINC000839171582 1320884419 /nfs/dbraw/zinc/88/44/19/1320884419.db2.gz HLIJVGDWUFZJBF-UHFFFAOYSA-N 0 3 344.249 3.211 20 10 EGCDHN Cc1cc(N(C)C)ccc1CN1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000840917672 1321177225 /nfs/dbraw/zinc/17/72/25/1321177225.db2.gz WGMMLZIPYLDOMU-MRXNPFEDSA-N 0 3 330.394 3.196 20 10 EGCDHN CC[C@H](NCc1ccc(N(C)C)cc1C)C(=O)NCc1cccs1 ZINC000843426477 1321516929 /nfs/dbraw/zinc/51/69/29/1321516929.db2.gz ZKUJHGUNGJDRQK-SFHVURJKSA-N 0 3 345.512 3.307 20 10 EGCDHN COc1cccc([C@H](C)N[C@@H]2CCN(c3ccc(C)cc3)C2=O)c1O ZINC000846153784 1321771962 /nfs/dbraw/zinc/77/19/62/1321771962.db2.gz IIGPSQLFSMNHCY-WMLDXEAASA-N 0 3 340.423 3.165 20 10 EGCDHN COC(=O)/C=C\c1ccc(CN[C@@H](C)c2cc(OC)ccc2O)o1 ZINC000848910858 1322043531 /nfs/dbraw/zinc/04/35/31/1322043531.db2.gz AHIMXAKZSZLLPC-UPZNUWHASA-N 0 3 331.368 3.031 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+][C@H]2c3ccccc3C[C@@H]2O)c1[O-] ZINC000848925997 1322047607 /nfs/dbraw/zinc/04/76/07/1322047607.db2.gz JPNMVPJSIPURNX-HOTGVXAUSA-N 0 3 348.240 3.211 20 10 EGCDHN COc1cc(CNC[C@@H](OC)C(F)(F)F)c(O)c(C(C)(C)C)c1 ZINC000850135711 1322197420 /nfs/dbraw/zinc/19/74/20/1322197420.db2.gz PPBGJDRIELNWKS-CYBMUJFWSA-N 0 3 335.366 3.365 20 10 EGCDHN COc1cccc(O)c1CNC[C@@H](OC1CCCC1)C(F)(F)F ZINC000850355289 1322232460 /nfs/dbraw/zinc/23/24/60/1322232460.db2.gz FAALHCNPTSZJFU-OAHLLOKOSA-N 0 3 333.350 3.381 20 10 EGCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000862484737 1329490816 /nfs/dbraw/zinc/49/08/16/1329490816.db2.gz AIANTXKYTXQHFL-UONOGXRCSA-N 0 3 335.444 3.201 20 10 EGCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000862484737 1329490818 /nfs/dbraw/zinc/49/08/18/1329490818.db2.gz AIANTXKYTXQHFL-UONOGXRCSA-N 0 3 335.444 3.201 20 10 EGCDHN CC(C)[C@H](C(=O)n1c(N)c(/N=N/c2ccccc2)ccc1=N)N(C)C ZINC001183360419 1387303247 /nfs/dbraw/zinc/30/32/47/1387303247.db2.gz RTXWQHACZIALJN-BFNQJVMRSA-N 0 3 340.431 3.192 20 10 EGCDHN Cc1ccc(N2C[C@]3(CC[N@H+](Cc4ccccc4[O-])C3)CC2=O)cc1 ZINC001203555832 1370168347 /nfs/dbraw/zinc/16/83/47/1370168347.db2.gz HBCMTAAPRNGWRI-OAQYLSRUSA-N 0 3 336.435 3.330 20 10 EGCDHN Cc1ccc(N2C[C@]3(CC[N@@H+](Cc4ccccc4[O-])C3)CC2=O)cc1 ZINC001203555832 1370168359 /nfs/dbraw/zinc/16/83/59/1370168359.db2.gz HBCMTAAPRNGWRI-OAQYLSRUSA-N 0 3 336.435 3.330 20 10 EGCDHN COc1cccc(CN2CC[C@@H](Oc3cc(F)ccc3F)C2)c1O ZINC001203595797 1370182121 /nfs/dbraw/zinc/18/21/21/1370182121.db2.gz NGQXQIMMNBXPQZ-CQSZACIVSA-N 0 3 335.350 3.332 20 10 EGCDHN COc1ccc(C[NH+]2CCC(Oc3cc(C)ccn3)CC2)c([O-])c1 ZINC001203635180 1370195724 /nfs/dbraw/zinc/19/57/24/1370195724.db2.gz NMGZCOOHXDSQAZ-UHFFFAOYSA-N 0 3 328.412 3.148 20 10 EGCDHN CC(C)[N@@H+]1CCN(Cc2cc(Br)ccc2[O-])C[C@@H]1C ZINC001203648241 1370199712 /nfs/dbraw/zinc/19/97/12/1370199712.db2.gz GDDCQNUIRPGYEM-LBPRGKRZSA-N 0 3 327.266 3.069 20 10 EGCDHN CC(C)[N@H+]1CCN(Cc2cc(Br)ccc2[O-])C[C@@H]1C ZINC001203648241 1370199714 /nfs/dbraw/zinc/19/97/14/1370199714.db2.gz GDDCQNUIRPGYEM-LBPRGKRZSA-N 0 3 327.266 3.069 20 10 EGCDHN CN(C)c1ccc(CN2CCC(Oc3ccc(F)cn3)CC2)cc1 ZINC001203935309 1370321607 /nfs/dbraw/zinc/32/16/07/1370321607.db2.gz CITCNLKFSHMBTH-UHFFFAOYSA-N 0 3 329.419 3.330 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](CO)CC2CCOCC2)c1[O-] ZINC001117503074 1371048992 /nfs/dbraw/zinc/04/89/92/1371048992.db2.gz CIWQVEAXSAOEAB-ZFWWWQNUSA-N 0 3 341.879 3.430 20 10 EGCDHN [O-]c1cccc(Br)c1CN1CC[NH2+]C[C@H]1c1ccccc1 ZINC001210215755 1372296019 /nfs/dbraw/zinc/29/60/19/1372296019.db2.gz MSDORABPFILWEY-INIZCTEOSA-N 0 3 347.256 3.301 20 10 EGCDHN COc1cc([O-])c(CN2CC[NH2+][C@@H](Cc3ccccc3)C2)c(Cl)c1 ZINC001210381407 1372338532 /nfs/dbraw/zinc/33/85/32/1372338532.db2.gz AIGHBNUJJDLVHE-HNNXBMFYSA-N 0 3 346.858 3.071 20 10 EGCDHN Cc1cc([O-])c(CN2CCC3(CCC[NH2+]3)CC2)cc1Br ZINC001228556880 1375597070 /nfs/dbraw/zinc/59/70/70/1375597070.db2.gz SGOQCCRSBBXQGJ-UHFFFAOYSA-N 0 3 339.277 3.181 20 10 EGCDHN COc1ccc(Br)c(CN2C[C@@H]3C[C@H]2C[C@@H]3F)c1O ZINC001231557962 1376263805 /nfs/dbraw/zinc/26/38/05/1376263805.db2.gz WYNHZRFTFICDOG-AUTRQRHGSA-N 0 3 330.197 3.096 20 10 EGCDHN COc1cc(Cl)cc(CN2CC[C@H](Oc3ccncc3C)C2)c1O ZINC001233290883 1376605673 /nfs/dbraw/zinc/60/56/73/1376605673.db2.gz BDYMHQYKOJVOOJ-HNNXBMFYSA-N 0 3 348.830 3.411 20 10 EGCDHN CC(C)c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)OC(C)(C)C)c([O-])c1 ZINC001237051554 1376971315 /nfs/dbraw/zinc/97/13/15/1376971315.db2.gz MWIGDFBBAPBJJE-VQFNDLOPSA-N 0 3 346.471 3.471 20 10 EGCDHN CC(C)c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)OC(C)(C)C)c([O-])c1 ZINC001237051554 1376971317 /nfs/dbraw/zinc/97/13/17/1376971317.db2.gz MWIGDFBBAPBJJE-VQFNDLOPSA-N 0 3 346.471 3.471 20 10 EGCDHN COC[C@H]1CCCC[N@@H+]1Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237053814 1376971974 /nfs/dbraw/zinc/97/19/74/1376971974.db2.gz QWULPEVCYOVUBQ-CYBMUJFWSA-N 0 3 333.350 3.334 20 10 EGCDHN COC[C@H]1CCCC[N@H+]1Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237053814 1376971979 /nfs/dbraw/zinc/97/19/79/1376971979.db2.gz QWULPEVCYOVUBQ-CYBMUJFWSA-N 0 3 333.350 3.334 20 10 EGCDHN Cc1cc([O-])c(C[N@@H+](C)[C@H]2CC[C@H](O)CC2)cc1Br ZINC001237676548 1376983460 /nfs/dbraw/zinc/98/34/60/1376983460.db2.gz KPBHGLOYZQRBAO-JOCQHMNTSA-N 0 3 328.250 3.198 20 10 EGCDHN Cc1cc([O-])c(C[N@H+](C)[C@H]2CC[C@H](O)CC2)cc1Br ZINC001237676548 1376983464 /nfs/dbraw/zinc/98/34/64/1376983464.db2.gz KPBHGLOYZQRBAO-JOCQHMNTSA-N 0 3 328.250 3.198 20 10 EGCDHN COC(=O)C1(C)CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC001138219487 1377690818 /nfs/dbraw/zinc/69/08/18/1377690818.db2.gz CMLQEKPOIYSXTK-UHFFFAOYSA-N 0 3 330.472 3.452 20 10 EGCDHN C[C@@H]1CN(c2ccc(CN(C)Cc3ccccc3O)cn2)C[C@@H](C)O1 ZINC001139384613 1377876963 /nfs/dbraw/zinc/87/69/63/1377876963.db2.gz DAUDGXCYYYWOSE-HZPDHXFCSA-N 0 3 341.455 3.033 20 10 EGCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCc2ncnc(-c3ccoc3)c2CC1 ZINC001140055730 1377996760 /nfs/dbraw/zinc/99/67/60/1377996760.db2.gz RFJKVLXEVJCJQN-UHFFFAOYSA-N 0 3 339.370 3.182 20 10 EGCDHN [O-]c1ccc(F)cc1C[N@H+]1CCc2ncnc(-c3ccoc3)c2CC1 ZINC001140055730 1377996761 /nfs/dbraw/zinc/99/67/61/1377996761.db2.gz RFJKVLXEVJCJQN-UHFFFAOYSA-N 0 3 339.370 3.182 20 10 EGCDHN O=c1oc2ccccc2n1C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC001140055352 1377996796 /nfs/dbraw/zinc/99/67/96/1377996796.db2.gz SOUODFLMNFGUIP-UHFFFAOYSA-N 0 3 342.370 3.276 20 10 EGCDHN CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])CC1 ZINC001140055428 1377996816 /nfs/dbraw/zinc/99/68/16/1377996816.db2.gz XUMGGCVJBNFHEG-HNNXBMFYSA-N 0 3 338.423 3.411 20 10 EGCDHN CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])CC1 ZINC001140055428 1377996817 /nfs/dbraw/zinc/99/68/17/1377996817.db2.gz XUMGGCVJBNFHEG-HNNXBMFYSA-N 0 3 338.423 3.411 20 10 EGCDHN O=C1N(C2CCCC2)CC[C@]12CCCN2Cc1cc(F)ccc1O ZINC001273284145 1378094724 /nfs/dbraw/zinc/09/47/24/1378094724.db2.gz FVJKZGSDCHSECW-LJQANCHMSA-N 0 3 332.419 3.041 20 10 EGCDHN COC(=O)[C@H]1C[N@H+](Cc2ccc(C)cc2[O-])C[C@@H]1c1ccccc1 ZINC001140954486 1378191940 /nfs/dbraw/zinc/19/19/40/1378191940.db2.gz UIEYJVHZLYVMFA-MSOLQXFVSA-N 0 3 325.408 3.089 20 10 EGCDHN COC(=O)[C@H]1C[N@@H+](Cc2ccc(C)cc2[O-])C[C@@H]1c1ccccc1 ZINC001140954486 1378191945 /nfs/dbraw/zinc/19/19/45/1378191945.db2.gz UIEYJVHZLYVMFA-MSOLQXFVSA-N 0 3 325.408 3.089 20 10 EGCDHN c1c(CN2CCN(C3CCC3)CC2)cc2c3c1CCCN3CCC2 ZINC001141074222 1378233234 /nfs/dbraw/zinc/23/32/34/1378233234.db2.gz BQISUJMTPWIWML-UHFFFAOYSA-N 0 3 325.500 3.056 20 10 EGCDHN CN1CCOc2cc(CN3CC[C@H](Oc4ccc(F)cc4)C3)ccc21 ZINC001141142826 1378248604 /nfs/dbraw/zinc/24/86/04/1378248604.db2.gz BYAQSTZVQABDBC-SFHVURJKSA-N 0 3 342.414 3.308 20 10 EGCDHN O=C(OCc1ccccc1)[C@H]1CCCN(Cc2cc(O)ccc2O)C1 ZINC001141163257 1378256591 /nfs/dbraw/zinc/25/65/91/1378256591.db2.gz XOGRHUGHUXHFTQ-INIZCTEOSA-N 0 3 341.407 3.053 20 10 EGCDHN [NH3+][C@H](c1ccccc1[O-])[C@H](Nc1cc(F)ccn1)c1ccccc1O ZINC001160616067 1382154141 /nfs/dbraw/zinc/15/41/41/1382154141.db2.gz CBFBUVXIKOSHDG-RTBURBONSA-N 0 3 339.370 3.485 20 10 EGCDHN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2Nc1ncc2c(n1)CCNC2 ZINC001163486631 1383062625 /nfs/dbraw/zinc/06/26/25/1383062625.db2.gz KUYRHLCQDYJAQS-GOSISDBHSA-N 0 3 338.455 3.180 20 10 EGCDHN COc1ccc([C@H]2C[C@@H]([NH2+]Cc3ccc(O)cc3[O-])CCO2)cc1 ZINC001168598195 1383944980 /nfs/dbraw/zinc/94/49/80/1383944980.db2.gz DGZNQKKNGRSREX-HNAYVOBHSA-N 0 3 329.396 3.116 20 10 EGCDHN COc1ccc([C@H]2C[C@H]([NH2+]Cc3ccc(O)cc3[O-])CCO2)cc1 ZINC001168598194 1383944984 /nfs/dbraw/zinc/94/49/84/1383944984.db2.gz DGZNQKKNGRSREX-DNVCBOLYSA-N 0 3 329.396 3.116 20 10 EGCDHN C[C@@H](c1ccccn1)N(C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001319946514 1386409747 /nfs/dbraw/zinc/40/97/47/1386409747.db2.gz NOTOSQCPAOWAFC-INIZCTEOSA-N 0 3 342.462 3.166 20 10 EGCDHN Cc1ccncc1[C@@H](C)NCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001337282854 1389293340 /nfs/dbraw/zinc/29/33/40/1389293340.db2.gz VMQIWNUKDWDVCY-MRXNPFEDSA-N 0 3 342.462 3.132 20 10 EGCDHN CCCN1CCC(N(C)c2nnc(C3SC=CC3=O)n2CC)CC1 ZINC001339246078 1389957840 /nfs/dbraw/zinc/95/78/40/1389957840.db2.gz FKZMWCATBFKQBZ-UHFFFAOYSA-N 0 3 349.504 3.043 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)C(=O)NCC(F)(F)F)c1[O-] ZINC001342935214 1390674980 /nfs/dbraw/zinc/67/49/80/1390674980.db2.gz OMBFFMIAUKOOGR-DTWKUNHWSA-N 0 3 338.757 3.072 20 10 EGCDHN CN(C)[C@H]1CCCC[C@H]1[NH2+]Cc1c([O-])cccc1Br ZINC001348085734 1391170967 /nfs/dbraw/zinc/17/09/67/1391170967.db2.gz KDBFJSOMLYZGHX-KGLIPLIRSA-N 0 3 327.266 3.117 20 10 EGCDHN COc1cc(Cl)cc(C[NH+]2CCC3(CCOCC3)CC2)c1[O-] ZINC000284856626 455752298 /nfs/dbraw/zinc/75/22/98/455752298.db2.gz CZCQFJXBDMSLAF-UHFFFAOYSA-N 0 3 325.836 3.447 20 10 EGCDHN C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc(Br)cc1[O-] ZINC000296645211 455999331 /nfs/dbraw/zinc/99/93/31/455999331.db2.gz YJQAPWFAVMYBEM-NDNKKMJESA-N 0 3 339.277 3.431 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@@](CO)(C(C)C)C2)c1[O-] ZINC000378125855 457380700 /nfs/dbraw/zinc/38/07/00/457380700.db2.gz BOAYAYNCIRHXML-MRXNPFEDSA-N 0 3 342.277 3.304 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@@](CO)(C(C)C)C2)c1[O-] ZINC000378125855 457380706 /nfs/dbraw/zinc/38/07/06/457380706.db2.gz BOAYAYNCIRHXML-MRXNPFEDSA-N 0 3 342.277 3.304 20 10 EGCDHN [O-]c1ccccc1C[NH2+]C[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000238102885 455253863 /nfs/dbraw/zinc/25/38/63/455253863.db2.gz NMDOFSHAYIWENL-SFHVURJKSA-N 0 3 346.858 3.209 20 10 EGCDHN [O-]c1cc2c(cc1C[NH2+]C[C@@H](c1ccco1)N1CCCCC1)OCO2 ZINC000238130296 455255683 /nfs/dbraw/zinc/25/56/83/455255683.db2.gz YBUYHLRQPDPJRX-HNNXBMFYSA-N 0 3 344.411 3.031 20 10 EGCDHN CCOC(=O)N[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000054517774 453933241 /nfs/dbraw/zinc/93/32/41/453933241.db2.gz IJDHIDVJTOPENY-HNNXBMFYSA-N 0 3 328.412 3.256 20 10 EGCDHN CCOC(=O)N[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000054517774 453933242 /nfs/dbraw/zinc/93/32/42/453933242.db2.gz IJDHIDVJTOPENY-HNNXBMFYSA-N 0 3 328.412 3.256 20 10 EGCDHN C[C@@H](NCCNC(=O)c1c(F)cccc1F)c1ccc(N(C)C)cc1 ZINC000089624465 454169185 /nfs/dbraw/zinc/16/91/85/454169185.db2.gz HARUVLFKNHEQPA-CYBMUJFWSA-N 0 3 347.409 3.111 20 10 EGCDHN COc1ccc(N2CCCN(Cc3ccc4c[nH]nc4c3)CC2)cc1 ZINC000130530361 454202542 /nfs/dbraw/zinc/20/25/42/454202542.db2.gz XPSLXYFZINTROI-UHFFFAOYSA-N 0 3 336.439 3.284 20 10 EGCDHN Cc1ccc(O)c(CN2CCCN(C(=O)Oc3ccccc3)CC2)c1 ZINC000092939045 454656556 /nfs/dbraw/zinc/65/65/56/454656556.db2.gz MJABAFHCSVGGEY-UHFFFAOYSA-N 0 3 340.423 3.407 20 10 EGCDHN Cc1ccc(S(=O)(=O)C[C@H](C)NCc2cc(C)c(C)cc2O)cc1 ZINC000152743114 454719114 /nfs/dbraw/zinc/71/91/14/454719114.db2.gz IAZLUTDOBJVSFL-INIZCTEOSA-N 0 3 347.480 3.269 20 10 EGCDHN COc1ccc(N2CCCN(Cc3cccc4nccn43)CC2)cc1 ZINC000179826227 455085510 /nfs/dbraw/zinc/08/55/10/455085510.db2.gz FRVLFRNHAQSDFM-UHFFFAOYSA-N 0 3 336.439 3.055 20 10 EGCDHN Cc1cccc([C@@H](C[NH2+][C@H](C)c2ccccc2[O-])N2CCOCC2)c1 ZINC000183415556 455290892 /nfs/dbraw/zinc/29/08/92/455290892.db2.gz YBAVKOZXEXPCDB-YLJYHZDGSA-N 0 3 340.467 3.425 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]CC[C@@](C)(O)c2ccccc2)c1[O-] ZINC000190275057 455292729 /nfs/dbraw/zinc/29/27/29/455292729.db2.gz UMPURZDOGLILDF-GOSISDBHSA-N 0 3 335.831 3.442 20 10 EGCDHN C[C@H]([NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccccc1[O-] ZINC000183524246 455302921 /nfs/dbraw/zinc/30/29/21/455302921.db2.gz HCKOGEHAXPVEBH-MEDUHNTESA-N 0 3 349.814 3.201 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+]CC2(N3CCOCC3)CCCCC2)c1 ZINC000184858479 455462282 /nfs/dbraw/zinc/46/22/82/455462282.db2.gz JDUPOWCPTUHTRI-INIZCTEOSA-N 0 3 348.487 3.087 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](c2ccccc2)N2CCOCC2)c([O-])c1 ZINC000184919330 455472803 /nfs/dbraw/zinc/47/28/03/455472803.db2.gz YUQNECJTRZELFE-XLIONFOSSA-N 0 3 340.467 3.425 20 10 EGCDHN CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1 ZINC000185123165 455506025 /nfs/dbraw/zinc/50/60/25/455506025.db2.gz YDMREEVWBTWMBX-ZIAGYGMSSA-N 0 3 348.468 3.021 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+][C@@H](CO)Cc2cccc(C)c2)c1[O-] ZINC000191683959 455509170 /nfs/dbraw/zinc/50/91/70/455509170.db2.gz HYIABTXOUJFXKS-MRXNPFEDSA-N 0 3 335.831 3.056 20 10 EGCDHN C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@H]1CO ZINC000191731052 455514277 /nfs/dbraw/zinc/51/42/77/455514277.db2.gz UYGMIQLAYMVITP-QAPCUYQASA-N 0 3 327.424 3.031 20 10 EGCDHN C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@H]1CO ZINC000191731052 455514283 /nfs/dbraw/zinc/51/42/83/455514283.db2.gz UYGMIQLAYMVITP-QAPCUYQASA-N 0 3 327.424 3.031 20 10 EGCDHN COCCCN1CCC([NH2+][C@H](C)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000185314587 455537925 /nfs/dbraw/zinc/53/79/25/455537925.db2.gz DKMZWRGMNUTPNA-MRXNPFEDSA-N 0 3 346.515 3.423 20 10 EGCDHN Cc1ccncc1[C@@H](C)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000271350667 455608019 /nfs/dbraw/zinc/60/80/19/455608019.db2.gz HQTUYIIEKJFNLY-OAHLLOKOSA-N 0 3 329.419 3.217 20 10 EGCDHN COc1ccc([C@H](CCO)N[C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000185826053 455630319 /nfs/dbraw/zinc/63/03/19/455630319.db2.gz KXERVTHKBNUHJW-UGSOOPFHSA-N 0 3 331.412 3.184 20 10 EGCDHN Cc1ccncc1[C@@H](C)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000271493381 455658996 /nfs/dbraw/zinc/65/89/96/455658996.db2.gz UWKIGMVNLMTNQK-OAHLLOKOSA-N 0 3 343.446 3.341 20 10 EGCDHN CC[C@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1ccccc1[O-] ZINC000186117724 455696597 /nfs/dbraw/zinc/69/65/97/455696597.db2.gz GABWUWAJVOWHRW-IBGZPJMESA-N 0 3 325.456 3.493 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)c1 ZINC000192849417 455706232 /nfs/dbraw/zinc/70/62/32/455706232.db2.gz NZGGZFAJHHEQGC-NWDGAFQWSA-N 0 3 329.400 3.303 20 10 EGCDHN COc1cccc(C[NH2+]CCc2cc(C(F)(F)F)ccn2)c1[O-] ZINC000293073958 455773491 /nfs/dbraw/zinc/77/34/91/455773491.db2.gz VORZNAZWWBVUTG-UHFFFAOYSA-N 0 3 326.318 3.147 20 10 EGCDHN CCCOc1ccc(C[NH2+][C@H](c2cccnc2)C(C)(C)CO)c([O-])c1 ZINC000293535558 455790177 /nfs/dbraw/zinc/79/01/77/455790177.db2.gz CESMYGBQWHKTNS-LJQANCHMSA-N 0 3 344.455 3.425 20 10 EGCDHN COc1cc([O-])c(C[NH2+][C@H](C)[C@H](OC)c2ccc(F)cc2)cc1OC ZINC000271870220 455793209 /nfs/dbraw/zinc/79/32/09/455793209.db2.gz XJPLLNDQPJEGGJ-BLVKFPJESA-N 0 3 349.402 3.414 20 10 EGCDHN COc1ccc(OC)c([C@H](O)C[NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])c1 ZINC000293930248 455801655 /nfs/dbraw/zinc/80/16/55/455801655.db2.gz XXUNQQMOBAYLOJ-KBXCAEBGSA-N 0 3 345.439 3.410 20 10 EGCDHN COC[C@@H](C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-])OC ZINC000294360318 455812802 /nfs/dbraw/zinc/81/28/02/455812802.db2.gz QJBHEDAQDJFSPX-MJGOQNOKSA-N 0 3 329.440 3.317 20 10 EGCDHN CC[C@@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)c1ccc(OC)c(OC)c1 ZINC000285360417 455829859 /nfs/dbraw/zinc/82/98/59/455829859.db2.gz BMDXANOTRDSIPS-CQSZACIVSA-N 0 3 345.395 3.379 20 10 EGCDHN Cc1cc(N2CCC([NH2+][C@@H](C)c3c(C)cc(C)cc3[O-])CC2)n[nH]1 ZINC000285386559 455834149 /nfs/dbraw/zinc/83/41/49/455834149.db2.gz WPLCOIJTAOTFOW-HNNXBMFYSA-N 0 3 328.460 3.360 20 10 EGCDHN COc1cc([O-])c(C[NH2+]C2CCC(CSC)CC2)cc1OC ZINC000295099597 455838376 /nfs/dbraw/zinc/83/83/76/455838376.db2.gz SNNRESUTGWRQCU-UHFFFAOYSA-N 0 3 325.474 3.421 20 10 EGCDHN C[C@@H]1CN(c2ccc(CNC[C@@H]3CCC=CO3)cc2F)C[C@@H](C)O1 ZINC000278844621 455850638 /nfs/dbraw/zinc/85/06/38/455850638.db2.gz KHRSSBVQQYAGQI-INMHGKMJSA-N 0 3 334.435 3.222 20 10 EGCDHN CC(C)Oc1cccc([C@@H](O)C[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000295787583 455859652 /nfs/dbraw/zinc/85/96/52/455859652.db2.gz ACCRWQBJMFBFHI-MJGOQNOKSA-N 0 3 327.424 3.490 20 10 EGCDHN Oc1ccc(C2=CCN(Cc3cc4c(cc3O)OCO4)CC2)cc1 ZINC000194581590 455860911 /nfs/dbraw/zinc/86/09/11/455860911.db2.gz YBIFJJVIHUUYMO-UHFFFAOYSA-N 0 3 325.364 3.116 20 10 EGCDHN COc1cccc(C[NH+]2CCC(c3ncc4n3CCCC4)CC2)c1[O-] ZINC000279527361 455866418 /nfs/dbraw/zinc/86/64/18/455866418.db2.gz ZCOMRWQCROMYCL-UHFFFAOYSA-N 0 3 341.455 3.313 20 10 EGCDHN [O-]c1cccc2c1[C@@H]([NH2+]Cc1ccc(N3CCOCC3)c(F)c1)CC2 ZINC000296086692 455868121 /nfs/dbraw/zinc/86/81/21/455868121.db2.gz SWYRFNZMBVLZJQ-KRWDZBQOSA-N 0 3 342.414 3.145 20 10 EGCDHN CC[C@H]([NH2+]C[C@@H](O)c1cc(OC)ccc1OC)c1ccc(C)cc1[O-] ZINC000280101407 455892420 /nfs/dbraw/zinc/89/24/20/455892420.db2.gz NBZWEGWVZSYJTL-PKOBYXMFSA-N 0 3 345.439 3.492 20 10 EGCDHN CC[C@@H](NCC1(S(C)(=O)=O)CCCC1)c1ccc(N(C)C)cc1 ZINC000285677412 455894051 /nfs/dbraw/zinc/89/40/51/455894051.db2.gz NJIHHEYOQICWBJ-QGZVFWFLSA-N 0 3 338.517 3.151 20 10 EGCDHN O=C1[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCCN1C1CCCCC1 ZINC000296349116 455915267 /nfs/dbraw/zinc/91/52/67/455915267.db2.gz HIVOFBKOXKYUGH-DLBZAZTESA-N 0 3 328.456 3.293 20 10 EGCDHN C[C@@H]1C[N@H+](Cc2cc(F)ccc2[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000272328288 455915816 /nfs/dbraw/zinc/91/58/16/455915816.db2.gz VONLOZAXGOFUSP-IUODEOHRSA-N 0 3 338.423 3.266 20 10 EGCDHN C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000272328288 455915819 /nfs/dbraw/zinc/91/58/19/455915819.db2.gz VONLOZAXGOFUSP-IUODEOHRSA-N 0 3 338.423 3.266 20 10 EGCDHN C[C@@H]1OCC[C@@]12CN(Cc1ccc(N3CCCCC3)cc1)C[C@@H](C)O2 ZINC000280453234 455975054 /nfs/dbraw/zinc/97/50/54/455975054.db2.gz LMMOZNLFXGVPHY-LVCYWYKZSA-N 0 3 344.499 3.445 20 10 EGCDHN CN(Cc1cccs1)c1ccc(CNCC2([S@@](C)=O)CC2)cc1 ZINC000296700400 456014111 /nfs/dbraw/zinc/01/41/11/456014111.db2.gz IEHLOUMUVOTJRW-HSZRJFAPSA-N 0 3 348.537 3.385 20 10 EGCDHN CC[C@H]([NH2+][C@H]1CCCN(C(=O)N2CCCC2)C1)c1ccccc1[O-] ZINC000287394491 456068194 /nfs/dbraw/zinc/06/81/94/456068194.db2.gz IUZPPEXLYBRYLS-RDJZCZTQSA-N 0 3 331.460 3.113 20 10 EGCDHN CCOCc1cc(CN[C@@H](CC)[C@@H](O)C(F)(F)F)ccc1OC ZINC000270972449 456082286 /nfs/dbraw/zinc/08/22/86/456082286.db2.gz JRKMYAFVTHONCD-DZGCQCFKSA-N 0 3 335.366 3.023 20 10 EGCDHN CCOCc1cc(CN[C@H](CC)[C@H](O)C(F)(F)F)ccc1OC ZINC000270972451 456082306 /nfs/dbraw/zinc/08/23/06/456082306.db2.gz JRKMYAFVTHONCD-HIFRSBDPSA-N 0 3 335.366 3.023 20 10 EGCDHN COCCn1cc(CN(Cc2ccc(N(C)C)cc2)C(C)C)cn1 ZINC000271085834 456122377 /nfs/dbraw/zinc/12/23/77/456122377.db2.gz TWBPHHPWQKKMMB-UHFFFAOYSA-N 0 3 330.476 3.006 20 10 EGCDHN Cc1cc(C)c([C@@H](C)[NH2+]C2CCC(CS(C)(=O)=O)CC2)c([O-])c1 ZINC000297227309 456155403 /nfs/dbraw/zinc/15/54/03/456155403.db2.gz HPTZULNKRSHLTK-QQFBHYJXSA-N 0 3 339.501 3.263 20 10 EGCDHN COc1ccc([C@H](CN(C)C)[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000297252520 456163143 /nfs/dbraw/zinc/16/31/43/456163143.db2.gz JKMWXVGFBBDQDN-ROUUACIJSA-N 0 3 326.440 3.281 20 10 EGCDHN C[C@H]([NH2+][C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)c1cc(F)ccc1[O-] ZINC000297433236 456220162 /nfs/dbraw/zinc/22/01/62/456220162.db2.gz VMTAFTBHEIWECD-YZOIGVHSSA-N 0 3 336.407 3.047 20 10 EGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)c1 ZINC000273296444 456222077 /nfs/dbraw/zinc/22/20/77/456222077.db2.gz ACTCUCWPYUCECP-CQSZACIVSA-N 0 3 333.453 3.096 20 10 EGCDHN CN1CCC[C@@H](CNC(=O)Cc2ccc(N)cc2)[C@@H]1c1cccs1 ZINC000237115992 456234701 /nfs/dbraw/zinc/23/47/01/456234701.db2.gz LTOGDPFAHOUYBF-HNAYVOBHSA-N 0 3 343.496 3.072 20 10 EGCDHN C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1)c1ccc(F)cc1[O-] ZINC000273536966 456237469 /nfs/dbraw/zinc/23/74/69/456237469.db2.gz XOJXOZVMXSUQTC-BBRMVZONSA-N 0 3 344.434 3.240 20 10 EGCDHN COc1ccc(C[C@@](C)(O)C[NH2+][C@@H](C)c2ccccc2[O-])cc1OC ZINC000290192028 456263370 /nfs/dbraw/zinc/26/33/70/456263370.db2.gz OJKLOZYFDKUTFQ-VBKZILBWSA-N 0 3 345.439 3.054 20 10 EGCDHN CCCOc1ccc(C[NH2+][C@H]2CCO[C@@H]2c2nccn2CC)c([O-])c1 ZINC000275488705 456276041 /nfs/dbraw/zinc/27/60/41/456276041.db2.gz IVVOEPJGFGAREU-WMZOPIPTSA-N 0 3 345.443 3.017 20 10 EGCDHN CCN(CC)c1ccc(CN[C@H]2CCO[C@@H]2c2nccn2CC)cc1 ZINC000275678786 456283962 /nfs/dbraw/zinc/28/39/62/456283962.db2.gz WCHXMPRRYSAFEV-OALUTQOASA-N 0 3 342.487 3.369 20 10 EGCDHN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000283694806 456826028 /nfs/dbraw/zinc/82/60/28/456826028.db2.gz RJGFJEOKBPULSD-CRAIPNDOSA-N 0 3 345.487 3.187 20 10 EGCDHN C[C@@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1ccc(Br)cc1[O-] ZINC000370393065 457638201 /nfs/dbraw/zinc/63/82/01/457638201.db2.gz AAWPDKZAIQGIFP-SKDRFNHKSA-N 0 3 336.233 3.086 20 10 EGCDHN COc1ccc([O-])c(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c1 ZINC000368036113 458006389 /nfs/dbraw/zinc/00/63/89/458006389.db2.gz IDWWKEDDOBLWCQ-AQNXPRMDSA-N 0 3 339.435 3.405 20 10 EGCDHN COc1ccc([O-])c(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c1 ZINC000368036113 458006395 /nfs/dbraw/zinc/00/63/95/458006395.db2.gz IDWWKEDDOBLWCQ-AQNXPRMDSA-N 0 3 339.435 3.405 20 10 EGCDHN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](CC(C)C)CN(C)C ZINC000471648306 458707911 /nfs/dbraw/zinc/70/79/11/458707911.db2.gz LFJXYSAZYQQXLQ-MRXNPFEDSA-N 0 3 344.503 3.262 20 10 EGCDHN CCN1CCCC[C@@H]1CNC(=O)NCc1c(C)c2ccccc2n1C ZINC000471852808 458743285 /nfs/dbraw/zinc/74/32/85/458743285.db2.gz NPCSGSPRKWYAQW-MRXNPFEDSA-N 0 3 342.487 3.160 20 10 EGCDHN Cc1c2ccccc2n(C)c1CNC[C@H](O)COCc1cccs1 ZINC000578064587 459140987 /nfs/dbraw/zinc/14/09/87/459140987.db2.gz LXOBQUHXBKVRQI-HNNXBMFYSA-N 0 3 344.480 3.216 20 10 EGCDHN CCOc1ccc(C[NH2+][C@H](c2ccc(OC)nc2)C2CC2)c([O-])c1 ZINC000527842391 459755086 /nfs/dbraw/zinc/75/50/86/459755086.db2.gz XQUJQABVNMHHPU-IBGZPJMESA-N 0 3 328.412 3.435 20 10 EGCDHN CN(C)c1ccc(CNCc2ccc3c(c2)CCC(=O)N3C)cc1F ZINC000187173700 547135665 /nfs/dbraw/zinc/13/56/65/547135665.db2.gz WBLJPIUXIYECTO-UHFFFAOYSA-N 0 3 341.430 3.091 20 10 EGCDHN CCC[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000727310651 574660518 /nfs/dbraw/zinc/66/05/18/574660518.db2.gz OCVOCPHUXDRVME-FQEVSTJZSA-N 0 3 339.483 3.500 20 10 EGCDHN CN(C(=O)CCNCc1ccc2c(c1)CCCN2C)c1ccccc1 ZINC000727643345 574680439 /nfs/dbraw/zinc/68/04/39/574680439.db2.gz QWHKFDFYYQXNMQ-UHFFFAOYSA-N 0 3 337.467 3.212 20 10 EGCDHN CCN1CCCN(CC(=O)c2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000740878201 576632827 /nfs/dbraw/zinc/63/28/27/576632827.db2.gz SYUJVAZQLSUXNL-UHFFFAOYSA-N 0 3 339.483 3.304 20 10 EGCDHN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000741722774 576713536 /nfs/dbraw/zinc/71/35/36/576713536.db2.gz RVXFWQMPNLJNEP-CABCVRRESA-N 0 3 331.485 3.368 20 10 EGCDHN CC[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(N(C)C)cc1 ZINC000820926011 606999422 /nfs/dbraw/zinc/99/94/22/606999422.db2.gz OSLLSWMMRZDPJA-GOSISDBHSA-N 0 3 336.443 3.174 20 10 EGCDHN CC[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(N(C)C)cc1 ZINC000820926011 606999423 /nfs/dbraw/zinc/99/94/23/606999423.db2.gz OSLLSWMMRZDPJA-GOSISDBHSA-N 0 3 336.443 3.174 20 10 EGCDHN CC[C@@H]([NH2+]CCNC(=O)c1ccc(F)cc1)c1ccc(C)cc1[O-] ZINC000794802071 1309599054 /nfs/dbraw/zinc/59/90/54/1309599054.db2.gz MDOAYKBXONPVMH-QGZVFWFLSA-N 0 3 330.403 3.310 20 10 EGCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NCc1ccc(F)cc1 ZINC000076074426 1292419051 /nfs/dbraw/zinc/41/90/51/1292419051.db2.gz OGYGCMDDEFMWHA-OAHLLOKOSA-N 0 3 344.430 3.448 20 10 EGCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NCc1ccc(F)cc1 ZINC000076074426 1292419055 /nfs/dbraw/zinc/41/90/55/1292419055.db2.gz OGYGCMDDEFMWHA-OAHLLOKOSA-N 0 3 344.430 3.448 20 10 EGCDHN Oc1cccc2c1CC[C@H]2NCc1ccc(N2CCOCC2)c(F)c1 ZINC000105486253 1293038213 /nfs/dbraw/zinc/03/82/13/1293038213.db2.gz LDGSYBFZNVZXAX-GOSISDBHSA-N 0 3 342.414 3.145 20 10 EGCDHN O=C(CCN(Cc1ccco1)Cc1ccccc1O)N1CCCCC1 ZINC000111232750 1293102269 /nfs/dbraw/zinc/10/22/69/1293102269.db2.gz FDSUBRXDJYGMRK-UHFFFAOYSA-N 0 3 342.439 3.390 20 10 EGCDHN FC(F)Oc1ccc(N2CCC(N[C@@H]3CCn4ccnc43)CC2)cc1 ZINC000834558239 1293117269 /nfs/dbraw/zinc/11/72/69/1293117269.db2.gz DNJDKUSRLDSGME-MRXNPFEDSA-N 0 3 348.397 3.188 20 10 EGCDHN O=C1C[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CN1[C@H]1C[C@H]1c1ccccc1 ZINC000834672781 1293131857 /nfs/dbraw/zinc/13/18/57/1293131857.db2.gz JITFFSKUEIMGEQ-OKYOBFRVSA-N 0 3 348.446 3.126 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H](O)C2CCC2)c1[O-] ZINC000834904748 1293171176 /nfs/dbraw/zinc/17/11/76/1293171176.db2.gz CDOYUKNOJDVMND-HZMBPMFUSA-N 0 3 328.250 3.275 20 10 EGCDHN C[C@]1(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])CCC(=O)N1 ZINC000834910462 1293174119 /nfs/dbraw/zinc/17/41/19/1293174119.db2.gz XANRGNLJDUSSLM-GHTZIAJQSA-N 0 3 338.451 3.324 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+](C)CC2CCOCC2)c1[O-] ZINC000124598085 1293479867 /nfs/dbraw/zinc/47/98/67/1293479867.db2.gz KTAOVEWRJNAQQT-UHFFFAOYSA-N 0 3 328.250 3.322 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+](C)CC2CCOCC2)c1[O-] ZINC000124598085 1293479870 /nfs/dbraw/zinc/47/98/70/1293479870.db2.gz KTAOVEWRJNAQQT-UHFFFAOYSA-N 0 3 328.250 3.322 20 10 EGCDHN COc1cc(Br)cc(C[N@H+](C)[C@H]2CCSC2)c1[O-] ZINC000130502702 1293659831 /nfs/dbraw/zinc/65/98/31/1293659831.db2.gz XIQHKTFDBJLTKO-NSHDSACASA-N 0 3 332.263 3.101 20 10 EGCDHN COc1cc(Br)cc(C[N@@H+](C)[C@H]2CCSC2)c1[O-] ZINC000130502702 1293659838 /nfs/dbraw/zinc/65/98/38/1293659838.db2.gz XIQHKTFDBJLTKO-NSHDSACASA-N 0 3 332.263 3.101 20 10 EGCDHN [O-]c1ccccc1C[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000133892078 1293756187 /nfs/dbraw/zinc/75/61/87/1293756187.db2.gz LSWJBJSWFBLUDO-UHFFFAOYSA-N 0 3 336.185 3.173 20 10 EGCDHN Cc1nccn1CCCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000163105997 1294328122 /nfs/dbraw/zinc/32/81/22/1294328122.db2.gz CYBWNDKFNSFHGV-LJQANCHMSA-N 0 3 343.471 3.359 20 10 EGCDHN Cc1nccn1CCCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000163105997 1294328128 /nfs/dbraw/zinc/32/81/28/1294328128.db2.gz CYBWNDKFNSFHGV-LJQANCHMSA-N 0 3 343.471 3.359 20 10 EGCDHN Cc1cc(C)c(O)c(CN2CCN(c3ccc(Cl)cn3)CC2)c1 ZINC000164216366 1294345117 /nfs/dbraw/zinc/34/51/17/1294345117.db2.gz MODIENBEVUAOLO-UHFFFAOYSA-N 0 3 331.847 3.380 20 10 EGCDHN Cc1cccc([C@@H](C)NCC(=O)NCc2ccc(N(C)C)cc2)c1C ZINC000183716007 1295139417 /nfs/dbraw/zinc/13/94/17/1295139417.db2.gz BQRLBBLAVATPSU-QGZVFWFLSA-N 0 3 339.483 3.336 20 10 EGCDHN COc1ccc(CC[NH2+][C@@H](C)c2cc(F)ccc2[O-])c(OC)c1OC ZINC000185327526 1295255893 /nfs/dbraw/zinc/25/58/93/1295255893.db2.gz WAPPOCSJMYVCHC-LBPRGKRZSA-N 0 3 349.402 3.450 20 10 EGCDHN Cc1cc(Br)cc(CN2CCC[C@@](C)(CO)C2)c1O ZINC000305764272 1297046116 /nfs/dbraw/zinc/04/61/16/1297046116.db2.gz GKQVTBOTZZCFRX-OAHLLOKOSA-N 0 3 328.250 3.058 20 10 EGCDHN COc1cccc(CNCc2ccc(OC)c(Cn3cccn3)c2)c1 ZINC000873007861 1297220314 /nfs/dbraw/zinc/22/03/14/1297220314.db2.gz IDCXDHZOPHWNJV-UHFFFAOYSA-N 0 3 337.423 3.238 20 10 EGCDHN CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000382433104 1297558058 /nfs/dbraw/zinc/55/80/58/1297558058.db2.gz SLAKERBTMZYISY-IUODEOHRSA-N 0 3 338.423 3.314 20 10 EGCDHN O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CCN1C1CCCC1 ZINC000874241344 1297825385 /nfs/dbraw/zinc/82/53/85/1297825385.db2.gz UJAIGOMYBPASJU-HXUWFJFHSA-N 0 3 341.499 3.310 20 10 EGCDHN C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000697838144 1298165770 /nfs/dbraw/zinc/16/57/70/1298165770.db2.gz JWNOQLXOTWWKAL-RYUDHWBXSA-N 0 3 326.412 3.343 20 10 EGCDHN CC[C@H]([NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)c1ccccc1[O-] ZINC000702555047 1298195018 /nfs/dbraw/zinc/19/50/18/1298195018.db2.gz YKBLNBXNRJWGPE-PZJWPPBQSA-N 0 3 340.467 3.070 20 10 EGCDHN COc1cccc([O-])c1C[NH2+]C[C@H](c1ccco1)N1CCCCC1 ZINC000725841781 1298372951 /nfs/dbraw/zinc/37/29/51/1298372951.db2.gz ZNWRSKRLPCXIPR-MRXNPFEDSA-N 0 3 330.428 3.311 20 10 EGCDHN COC(=O)c1cc(CN(Cc2ccccc2O)C2CCCC2)on1 ZINC000876721096 1298938303 /nfs/dbraw/zinc/93/83/03/1298938303.db2.gz GAYMNEXTZPRAPG-UHFFFAOYSA-N 0 3 330.384 3.112 20 10 EGCDHN COC(=O)c1cc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)on1 ZINC000876721096 1298938315 /nfs/dbraw/zinc/93/83/15/1298938315.db2.gz GAYMNEXTZPRAPG-UHFFFAOYSA-N 0 3 330.384 3.112 20 10 EGCDHN COC(=O)c1cc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)on1 ZINC000876721096 1298938326 /nfs/dbraw/zinc/93/83/26/1298938326.db2.gz GAYMNEXTZPRAPG-UHFFFAOYSA-N 0 3 330.384 3.112 20 10 EGCDHN Cc1cccc([O-])c1C[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000876811014 1299006577 /nfs/dbraw/zinc/00/65/77/1299006577.db2.gz FXAAYJOKZQUNOD-GJZGRUSLSA-N 0 3 334.460 3.436 20 10 EGCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000876811014 1299006591 /nfs/dbraw/zinc/00/65/91/1299006591.db2.gz FXAAYJOKZQUNOD-GJZGRUSLSA-N 0 3 334.460 3.436 20 10 EGCDHN COc1cc(OC)cc(N2CC[C@H]([NH2+]Cc3ccc(C)cc3[O-])C2)c1 ZINC000877079445 1299148876 /nfs/dbraw/zinc/14/88/76/1299148876.db2.gz YXEIFNAUZQIXNK-INIZCTEOSA-N 0 3 342.439 3.086 20 10 EGCDHN Cc1ccc(CNCc2cc3c(cc2OC(F)F)OCO3)c(O)c1 ZINC000877084649 1299150469 /nfs/dbraw/zinc/15/04/69/1299150469.db2.gz NUGKSQJAQJTDGF-UHFFFAOYSA-N 0 3 337.322 3.321 20 10 EGCDHN CN(C)c1ccc(CN[C@H]2CCN(c3cccc(Cl)c3)C2=O)cc1 ZINC000749927323 1299301479 /nfs/dbraw/zinc/30/14/79/1299301479.db2.gz UNTCSCGNYXPSDK-SFHVURJKSA-N 0 3 343.858 3.301 20 10 EGCDHN C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1[O-] ZINC000877755968 1299532063 /nfs/dbraw/zinc/53/20/63/1299532063.db2.gz VBZBNSXSBVLNRQ-CYBMUJFWSA-N 0 3 342.399 3.015 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@@H](CO)CC1CC1 ZINC000753570206 1299977841 /nfs/dbraw/zinc/97/78/41/1299977841.db2.gz ISTANWMVEJHMFX-GOSISDBHSA-N 0 3 327.424 3.222 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccc(F)cc2)c2c1c(F)ccc2[O-] ZINC000756453734 1300494838 /nfs/dbraw/zinc/49/48/38/1300494838.db2.gz HXVGWYLWCPITDU-PVXIVEMSSA-N 0 3 349.377 3.248 20 10 EGCDHN CNC(=O)c1cccc(C[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)c1 ZINC000756465846 1300498894 /nfs/dbraw/zinc/49/88/94/1300498894.db2.gz MDOGOJMPKNMDGR-NHYWBVRUSA-N 0 3 328.387 3.229 20 10 EGCDHN COCCCN1CCC([NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)CC1 ZINC000756527972 1300515150 /nfs/dbraw/zinc/51/51/50/1300515150.db2.gz LMLXRSHVTUFOGO-BBRMVZONSA-N 0 3 336.451 3.170 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c2c1c(F)ccc2[O-] ZINC000756737919 1300556687 /nfs/dbraw/zinc/55/66/87/1300556687.db2.gz HZAOOTSJGDUZAA-BYNQJWBRSA-N 0 3 341.448 3.025 20 10 EGCDHN Cc1ccccc1CN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649168 1300649250 /nfs/dbraw/zinc/64/92/50/1300649250.db2.gz NHVPLEHRVVLEMY-CVEARBPZSA-N 0 3 326.440 3.398 20 10 EGCDHN CC[C@@H](NCc1ccc2c(c1)C(=O)NCC2)c1ccc(N(C)C)cc1 ZINC000757660212 1300706259 /nfs/dbraw/zinc/70/62/59/1300706259.db2.gz BPXDDYBKOWOCJS-HXUWFJFHSA-N 0 3 337.467 3.279 20 10 EGCDHN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCCN(C)CC1 ZINC000758052271 1300777240 /nfs/dbraw/zinc/77/72/40/1300777240.db2.gz PZGRSZKLJBFJOY-UHFFFAOYSA-N 0 3 325.456 3.180 20 10 EGCDHN COCC[C@@H](Cc1ccco1)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000761215650 1301421461 /nfs/dbraw/zinc/42/14/61/1301421461.db2.gz LBVPQAVMXZWLOB-AWEZNQCLSA-N 0 3 339.819 3.385 20 10 EGCDHN COC[C@@H](Cc1ccccc1)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000761214201 1301422026 /nfs/dbraw/zinc/42/20/26/1301422026.db2.gz ABJXBYGHOALGII-MRXNPFEDSA-N 0 3 335.831 3.402 20 10 EGCDHN CC[C@@H](NCc1ccc(N(CC)CC)c(F)c1)[C@H](O)C(F)(F)F ZINC000765788969 1302327027 /nfs/dbraw/zinc/32/70/27/1302327027.db2.gz RYLHIKGHYSLIGY-HIFRSBDPSA-N 0 3 336.373 3.463 20 10 EGCDHN Cc1nc([C@H](C)NCc2ccc(N3CCN(C)CC3)cc2)cs1 ZINC000883289288 1302367414 /nfs/dbraw/zinc/36/74/14/1302367414.db2.gz KAUMXLMKYAAKMW-AWEZNQCLSA-N 0 3 330.501 3.054 20 10 EGCDHN C[C@H]1C[C@H]([NH2+]CCc2cn3c(n2)SCC3)c2c1c(F)ccc2[O-] ZINC000768284184 1302873124 /nfs/dbraw/zinc/87/31/24/1302873124.db2.gz BDRMKJHIXUYOJC-GWCFXTLKSA-N 0 3 333.432 3.214 20 10 EGCDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)[C@@H]1CCCc2ccccc21 ZINC000768441934 1302902410 /nfs/dbraw/zinc/90/24/10/1302902410.db2.gz RBRFDCQMDDZRFJ-IEBWSBKVSA-N 0 3 325.408 3.327 20 10 EGCDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)[C@@H]1CCCc2ccccc21 ZINC000768441934 1302902420 /nfs/dbraw/zinc/90/24/20/1302902420.db2.gz RBRFDCQMDDZRFJ-IEBWSBKVSA-N 0 3 325.408 3.327 20 10 EGCDHN Cc1ccccc1C[C@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768445683 1302907022 /nfs/dbraw/zinc/90/70/22/1302907022.db2.gz GMNICPZNLCFYDB-YLJYHZDGSA-N 0 3 339.435 3.334 20 10 EGCDHN Cc1ccccc1C[C@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768445683 1302907024 /nfs/dbraw/zinc/90/70/24/1302907024.db2.gz GMNICPZNLCFYDB-YLJYHZDGSA-N 0 3 339.435 3.334 20 10 EGCDHN C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1cc([O-])cs1 ZINC000769338471 1303095574 /nfs/dbraw/zinc/09/55/74/1303095574.db2.gz SBYOBPKMHAVMAN-UHFFFAOYSA-N 0 3 338.860 3.311 20 10 EGCDHN CCOc1ccc(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c([O-])c1 ZINC000770667306 1303303301 /nfs/dbraw/zinc/30/33/01/1303303301.db2.gz OPNWSVPILLWUKP-HXUWFJFHSA-N 0 3 325.408 3.422 20 10 EGCDHN CCOc1ccc(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)c([O-])c1 ZINC000770667306 1303303309 /nfs/dbraw/zinc/30/33/09/1303303309.db2.gz OPNWSVPILLWUKP-HXUWFJFHSA-N 0 3 325.408 3.422 20 10 EGCDHN CCOc1ccc(CN2CCN(Cc3ccccc3)CC2)c(O)c1 ZINC000771927145 1303462372 /nfs/dbraw/zinc/46/23/72/1303462372.db2.gz HCFZQNSNCORYRS-UHFFFAOYSA-N 0 3 326.440 3.109 20 10 EGCDHN CC(=O)NC[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000771938527 1303464852 /nfs/dbraw/zinc/46/48/52/1303464852.db2.gz NSEYSZFYVDGCSP-QGZVFWFLSA-N 0 3 338.451 3.407 20 10 EGCDHN CC(=O)NC[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000771938527 1303464855 /nfs/dbraw/zinc/46/48/55/1303464855.db2.gz NSEYSZFYVDGCSP-QGZVFWFLSA-N 0 3 338.451 3.407 20 10 EGCDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1ccc(Cl)cn1 ZINC000774482006 1303815316 /nfs/dbraw/zinc/81/53/16/1303815316.db2.gz DIZNYISVKKEKGV-STQMWFEESA-N 0 3 346.862 3.479 20 10 EGCDHN C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1cccnc1Cl ZINC000774485211 1303816890 /nfs/dbraw/zinc/81/68/90/1303816890.db2.gz SKGLHNCJBPIEBN-CHWSQXEVSA-N 0 3 346.862 3.479 20 10 EGCDHN COc1cc(Br)cc(C[NH2+]C[C@@H]2CCC[C@H]2OC)c1[O-] ZINC000774832150 1303865084 /nfs/dbraw/zinc/86/50/84/1303865084.db2.gz JMTFUZOWBOHXHU-GXFFZTMASA-N 0 3 344.249 3.068 20 10 EGCDHN CC[C@@H]([NH2+]C[C@@H](C)N1CCN(CC)CC1)c1cc(Cl)ccc1[O-] ZINC000775486448 1303971890 /nfs/dbraw/zinc/97/18/90/1303971890.db2.gz BCUUCJLQLAEZNE-RHSMWYFYSA-N 0 3 339.911 3.112 20 10 EGCDHN CC[C@H]([NH2+][C@H](C)CCN1CCN(C)CC1)c1cc(Cl)ccc1[O-] ZINC000775553582 1303983246 /nfs/dbraw/zinc/98/32/46/1303983246.db2.gz DARJYQSVFCBCFI-PBHICJAKSA-N 0 3 339.911 3.112 20 10 EGCDHN CCOc1ccc(CN2CCN(Cc3cccc(C)c3O)CC2)cc1 ZINC000775644268 1304001744 /nfs/dbraw/zinc/00/17/44/1304001744.db2.gz CXAFPMLSILBDCU-UHFFFAOYSA-N 0 3 340.467 3.417 20 10 EGCDHN C[C@H](NCC(=O)N([C@@H](C)C1CC1)C1CC1)c1ccc(N(C)C)cc1 ZINC000775830653 1304045242 /nfs/dbraw/zinc/04/52/42/1304045242.db2.gz MFTYHGSVADRSTD-GJZGRUSLSA-N 0 3 329.488 3.193 20 10 EGCDHN Cc1ccccc1CN(C)C(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775831360 1304045390 /nfs/dbraw/zinc/04/53/90/1304045390.db2.gz QYSVNNGHCUNSGJ-QGZVFWFLSA-N 0 3 339.483 3.370 20 10 EGCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]C[C@@H]2CCCOC2)C1 ZINC000776175767 1304107171 /nfs/dbraw/zinc/10/71/71/1304107171.db2.gz QLLAHAVENUBIJZ-WMLDXEAASA-N 0 3 338.879 3.026 20 10 EGCDHN [O-]c1ccc(F)cc1C[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000779051982 1304522877 /nfs/dbraw/zinc/52/28/77/1304522877.db2.gz JSZBTNZBGSFCQD-UHFFFAOYSA-N 0 3 337.778 3.288 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C2COC(C)(C)OC2)c1[O-] ZINC000779051668 1304522972 /nfs/dbraw/zinc/52/29/72/1304522972.db2.gz XPIISFKVLMAABB-SNVBAGLBSA-N 0 3 344.249 3.265 20 10 EGCDHN COc1cc(Br)cc(C[NH2+][C@@H](C)[C@H]2CCCOC2)c1[O-] ZINC000779985378 1304628702 /nfs/dbraw/zinc/62/87/02/1304628702.db2.gz COTPYSZUYWDOMD-QWRGUYRKSA-N 0 3 344.249 3.068 20 10 EGCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H](F)c2ccccc2)N(C)C)cc1 ZINC000891247120 1304999484 /nfs/dbraw/zinc/99/94/84/1304999484.db2.gz FFDWUJKNICDFIW-RBUKOAKNSA-N 0 3 343.446 3.182 20 10 EGCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccc(Cl)o2)N(C)C)cc1 ZINC000891256418 1305001283 /nfs/dbraw/zinc/00/12/83/1305001283.db2.gz YJBOXBHNYOJYDM-CQSZACIVSA-N 0 3 335.835 3.032 20 10 EGCDHN C[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccsc1 ZINC000891254133 1305001940 /nfs/dbraw/zinc/00/19/40/1305001940.db2.gz VWHHXTKZXHTCQF-KSSFIOAISA-N 0 3 345.512 3.337 20 10 EGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCN2CCOCC2(C)C)c1[O-] ZINC000808692052 1317717382 /nfs/dbraw/zinc/71/73/82/1317717382.db2.gz SLMXMPGZDUYRSX-CYBMUJFWSA-N 0 3 326.868 3.115 20 10 EGCDHN CC1=NO[C@@H](C[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000895308007 1309277855 /nfs/dbraw/zinc/27/78/55/1309277855.db2.gz WPHNUUPALTZHMO-GOSISDBHSA-N 0 3 326.396 3.226 20 10 EGCDHN COCCC[C@H](Cc1ccccc1)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000793231386 1309324662 /nfs/dbraw/zinc/32/46/62/1309324662.db2.gz CNLFFHVKKZTMIF-QGZVFWFLSA-N 0 3 343.423 3.248 20 10 EGCDHN C[C@@]1(O)CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000793250116 1309330572 /nfs/dbraw/zinc/33/05/72/1309330572.db2.gz KOOMRIUUTTWONZ-LJQANCHMSA-N 0 3 347.459 3.322 20 10 EGCDHN COc1cc(C)cc(CN[C@H](Cn2ccnc2)c2ccccc2)c1O ZINC000895705426 1309476391 /nfs/dbraw/zinc/47/63/91/1309476391.db2.gz ACGFFCJHHJDWDE-GOSISDBHSA-N 0 3 337.423 3.437 20 10 EGCDHN Cc1ccc([C@H]2CC[N@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C2)c(C)c1 ZINC000794660579 1309567206 /nfs/dbraw/zinc/56/72/06/1309567206.db2.gz GQFGKCKVLAGGLJ-MGPUTAFESA-N 0 3 339.435 3.424 20 10 EGCDHN Cc1ccc([C@H]2CC[N@@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C2)c(C)c1 ZINC000794660579 1309567213 /nfs/dbraw/zinc/56/72/13/1309567213.db2.gz GQFGKCKVLAGGLJ-MGPUTAFESA-N 0 3 339.435 3.424 20 10 EGCDHN CCC[C@@]1([NH2+]Cc2cc(Br)cc(OC)c2[O-])CCOC1 ZINC000796489746 1310012603 /nfs/dbraw/zinc/01/26/03/1310012603.db2.gz CBUREYSPMKFBIA-OAHLLOKOSA-N 0 3 344.249 3.212 20 10 EGCDHN CC(=O)c1ccc(NC[C@H](c2ccc(N(C)C)cc2)N(C)C)nc1 ZINC000897524878 1310363382 /nfs/dbraw/zinc/36/33/82/1310363382.db2.gz FXPIFIHZWZEFGE-GOSISDBHSA-N 0 3 326.444 3.065 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]C[C@H](CO)CC2CCCC2)c1[O-] ZINC000798960636 1310465441 /nfs/dbraw/zinc/46/54/41/1310465441.db2.gz LVVOWSNBMGVXRR-CYBMUJFWSA-N 0 3 327.852 3.333 20 10 EGCDHN Cc1ccc(O)c(CN[C@H](Cn2ccccc2=O)c2ccccc2)c1 ZINC000800315657 1310732714 /nfs/dbraw/zinc/73/27/14/1310732714.db2.gz ZUVNHTZMOJPGBR-LJQANCHMSA-N 0 3 334.419 3.393 20 10 EGCDHN Cc1ccc(O)c(CN[C@@H](Cn2ccccc2=O)c2ccccc2)c1 ZINC000800315656 1310732817 /nfs/dbraw/zinc/73/28/17/1310732817.db2.gz ZUVNHTZMOJPGBR-IBGZPJMESA-N 0 3 334.419 3.393 20 10 EGCDHN CCc1nc(CNC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cs1 ZINC000898450335 1310742428 /nfs/dbraw/zinc/74/24/28/1310742428.db2.gz AREGYLAZHPOVCV-KRWDZBQOSA-N 0 3 332.517 3.164 20 10 EGCDHN COc1cccc([O-])c1C[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000800527849 1310778392 /nfs/dbraw/zinc/77/83/92/1310778392.db2.gz DHMJDXOGFRNLAR-UHFFFAOYSA-N 0 3 338.451 3.428 20 10 EGCDHN CCCCN(CC(=O)N1C[C@@H](C)C[C@H](C)C1)Cc1ccccc1O ZINC000801596798 1310971796 /nfs/dbraw/zinc/97/17/96/1310971796.db2.gz PGQLLVMWNHXGCK-IRXDYDNUSA-N 0 3 332.488 3.499 20 10 EGCDHN COc1cc(Br)cc(C[NH2+]Cc2ccnc(C)c2)c1[O-] ZINC000824597886 1320268772 /nfs/dbraw/zinc/26/87/72/1320268772.db2.gz YXGHNRSBLXUEPZ-UHFFFAOYSA-N 0 3 337.217 3.157 20 10 EGCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+](CCOCCO)C1CCC1 ZINC000827210905 1320434106 /nfs/dbraw/zinc/43/41/06/1320434106.db2.gz SXYUOCASBWCVFX-UHFFFAOYSA-N 0 3 341.451 3.423 20 10 EGCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+](CCOCCO)C1CCC1 ZINC000827210905 1320434110 /nfs/dbraw/zinc/43/41/10/1320434110.db2.gz SXYUOCASBWCVFX-UHFFFAOYSA-N 0 3 341.451 3.423 20 10 EGCDHN CCOC(=O)c1[nH]c(C)c(CNCc2ccc3c(c2)CCO3)c1C ZINC000858121110 1328688114 /nfs/dbraw/zinc/68/81/14/1328688114.db2.gz VTNFMWQJTCOMEG-UHFFFAOYSA-N 0 3 328.412 3.033 20 10 EGCDHN CN(C)c1cc(F)c(CNC[C@@]2(CO)C[C@H]2c2ccccc2)cc1F ZINC000858165812 1328701674 /nfs/dbraw/zinc/70/16/74/1328701674.db2.gz OGTMNZWIGPMHRN-OXJNMPFZSA-N 0 3 346.421 3.287 20 10 EGCDHN COc1ccc(N2CC[C@H](CNCc3ccncc3Cl)C2)cc1 ZINC000858182651 1328705997 /nfs/dbraw/zinc/70/59/97/1328705997.db2.gz BKKDVLVTUJMBEO-CQSZACIVSA-N 0 3 331.847 3.360 20 10 EGCDHN CN(C)c1ccc([C@@H](CN[C@H]2CCCc3scnc32)N(C)C)cc1 ZINC000903448404 1317701955 /nfs/dbraw/zinc/70/19/55/1317701955.db2.gz OOMZQJQDBQPSQT-DLBZAZTESA-N 0 3 344.528 3.479 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c1[O-] ZINC000808710700 1317719890 /nfs/dbraw/zinc/71/98/90/1317719890.db2.gz VPUQBZVQDZLBIX-DXCKQFNASA-N 0 3 325.836 3.343 20 10 EGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc3c(c2)C(=O)NCC3)c1[O-] ZINC000808715878 1317720436 /nfs/dbraw/zinc/72/04/36/1317720436.db2.gz YHKRRSOTQBBGQT-GFCCVEGCSA-N 0 3 344.842 3.491 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+](CC2CCC2)[C@H](C)CO)c1[O-] ZINC000809664414 1317859482 /nfs/dbraw/zinc/85/94/82/1317859482.db2.gz FJGYIVJMXOSBPI-GFCCVEGCSA-N 0 3 342.277 3.446 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+](CC2CCC2)[C@H](C)CO)c1[O-] ZINC000809664414 1317859487 /nfs/dbraw/zinc/85/94/87/1317859487.db2.gz FJGYIVJMXOSBPI-GFCCVEGCSA-N 0 3 342.277 3.446 20 10 EGCDHN COc1ccc(O)c(CN(CCc2ccccn2)Cc2ccncc2)c1 ZINC000809763877 1317893969 /nfs/dbraw/zinc/89/39/69/1317893969.db2.gz SBBSHNAESRDMMM-UHFFFAOYSA-N 0 3 349.434 3.436 20 10 EGCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000809769522 1317896586 /nfs/dbraw/zinc/89/65/86/1317896586.db2.gz HKUVOABOQZHMSP-HNNXBMFYSA-N 0 3 329.293 3.373 20 10 EGCDHN CCOc1ccc(C[NH2+]C[C@]2(C)OCCc3sccc32)c([O-])c1 ZINC000810170158 1317968324 /nfs/dbraw/zinc/96/83/24/1317968324.db2.gz GAWBXVYXDLNERP-SFHVURJKSA-N 0 3 333.453 3.430 20 10 EGCDHN CCOc1cccc(CN2CCCC[C@H]2COC(=O)NC2CC2)c1O ZINC000811510777 1318188609 /nfs/dbraw/zinc/18/86/09/1318188609.db2.gz OPTITMGXLHSGKA-INIZCTEOSA-N 0 3 348.443 3.034 20 10 EGCDHN CON(C)C(=O)[C@@H](C)N[C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000858586258 1328800915 /nfs/dbraw/zinc/80/09/15/1328800915.db2.gz HMJAIDCNYBYQTQ-JKSUJKDBSA-N 0 3 333.476 3.126 20 10 EGCDHN C[C@@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815588046 1319022694 /nfs/dbraw/zinc/02/26/94/1319022694.db2.gz BGSPPHYZSDZWJA-KOLCDFICSA-N 0 3 325.334 3.342 20 10 EGCDHN CC[NH+](CC)CCO[C@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816516850 1319173633 /nfs/dbraw/zinc/17/36/33/1319173633.db2.gz TWIXVBFRKQQKFH-AWEZNQCLSA-N 0 3 344.858 3.117 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c2c1c(F)ccc2[O-] ZINC000817939601 1319468819 /nfs/dbraw/zinc/46/88/19/1319468819.db2.gz CSNPIYXYMYHSDE-JLZZUVOBSA-N 0 3 343.446 3.435 20 10 EGCDHN COc1ccc(O)c(CNCc2cc(C(OC)OC)ccc2F)c1 ZINC000818186223 1319513089 /nfs/dbraw/zinc/51/30/89/1319513089.db2.gz DOKMXHJSYRKHJT-UHFFFAOYSA-N 0 3 335.375 3.121 20 10 EGCDHN COc1ccc(N2CCCN(C[C@H]3CC3(Cl)Cl)CC2)cc1 ZINC000917089662 1319755089 /nfs/dbraw/zinc/75/50/89/1319755089.db2.gz CGIHSCZBNCHJFO-CYBMUJFWSA-N 0 3 329.271 3.401 20 10 EGCDHN CC[NH+](CC)C[C@H]1CCN(Cc2ccc(Br)cc2[O-])C1 ZINC000824870453 1320293160 /nfs/dbraw/zinc/29/31/60/1320293160.db2.gz RQTPRPFBBSGGPH-CYBMUJFWSA-N 0 3 341.293 3.318 20 10 EGCDHN CC(C)(C)O[C@@H]1C[C@H](NCc2ccc3c(c2)CCO3)[C@H]1n1cccn1 ZINC000825117827 1320312189 /nfs/dbraw/zinc/31/21/89/1320312189.db2.gz LKWJHYDZCBRFBP-QXAKKESOSA-N 0 3 341.455 3.105 20 10 EGCDHN Cc1nccn1CCC[N@@H+](C)Cc1ccc(Br)cc1[O-] ZINC000825928060 1320372424 /nfs/dbraw/zinc/37/24/24/1320372424.db2.gz LQHVJDYJUIUCHB-UHFFFAOYSA-N 0 3 338.249 3.182 20 10 EGCDHN Cc1nccn1CCC[N@H+](C)Cc1ccc(Br)cc1[O-] ZINC000825928060 1320372425 /nfs/dbraw/zinc/37/24/25/1320372425.db2.gz LQHVJDYJUIUCHB-UHFFFAOYSA-N 0 3 338.249 3.182 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+][C@H](C)CN2CCC(C)CC2)c1[O-] ZINC000827352828 1320446931 /nfs/dbraw/zinc/44/69/31/1320446931.db2.gz QXDATRZQSWQTBH-CYBMUJFWSA-N 0 3 326.868 3.264 20 10 EGCDHN Cc1ccc(CNCc2cc(F)c(N3CCOCC3)c(F)c2)cc1 ZINC000839146832 1320880746 /nfs/dbraw/zinc/88/07/46/1320880746.db2.gz WTXPDBYTOUZFJI-UHFFFAOYSA-N 0 3 332.394 3.400 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c1[O-] ZINC000839191186 1320891278 /nfs/dbraw/zinc/89/12/78/1320891278.db2.gz FRCKULZKLFVEGU-JKSUJKDBSA-N 0 3 339.863 3.427 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c1[O-] ZINC000839191186 1320891282 /nfs/dbraw/zinc/89/12/82/1320891282.db2.gz FRCKULZKLFVEGU-JKSUJKDBSA-N 0 3 339.863 3.427 20 10 EGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC(C)(C)[C@@H]4COC[C@@H]43)c2c1 ZINC000840154389 1321040183 /nfs/dbraw/zinc/04/01/83/1321040183.db2.gz OJXHZDBMELIWHF-MSOLQXFVSA-N 0 3 327.424 3.411 20 10 EGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC(C)(C)[C@@H]4COC[C@@H]43)c2c1 ZINC000840154389 1321040187 /nfs/dbraw/zinc/04/01/87/1321040187.db2.gz OJXHZDBMELIWHF-MSOLQXFVSA-N 0 3 327.424 3.411 20 10 EGCDHN C[C@@H]([NH2+][C@H](COC(N)=O)Cc1ccccc1)c1cc(F)ccc1[O-] ZINC000840865004 1321165017 /nfs/dbraw/zinc/16/50/17/1321165017.db2.gz SLSBQRUXLKQPQP-DOMZBBRYSA-N 0 3 332.375 3.303 20 10 EGCDHN CC1CCN(c2ccc(CNCc3cnc(N(C)C)n3C)cc2)CC1 ZINC000840897446 1321172690 /nfs/dbraw/zinc/17/26/90/1321172690.db2.gz QOHSBWVKTQYROK-UHFFFAOYSA-N 0 3 341.503 3.012 20 10 EGCDHN CC[C@@H](CNC(=O)Nc1ccc(N)cc1)N1CCc2ccccc2C1 ZINC000841302530 1321250730 /nfs/dbraw/zinc/25/07/30/1321250730.db2.gz YVLIJCITWPPGLN-IBGZPJMESA-N 0 3 338.455 3.227 20 10 EGCDHN COc1cccc([C@H](C)NCc2cnn(Cc3ccccc3)c2)c1O ZINC000846139634 1321770827 /nfs/dbraw/zinc/77/08/27/1321770827.db2.gz PNYLLPZEANDFHZ-HNNXBMFYSA-N 0 3 337.423 3.496 20 10 EGCDHN COc1cccc([C@@H](C)NCc2cccnc2OCC(F)F)c1O ZINC000846157611 1321772781 /nfs/dbraw/zinc/77/27/81/1321772781.db2.gz MXHYEQQVLLAEGZ-LLVKDONJSA-N 0 3 338.354 3.291 20 10 EGCDHN COc1ccc(N2CCCN(CC3(Br)CC3)CC2)cc1 ZINC000846777556 1321807700 /nfs/dbraw/zinc/80/77/00/1321807700.db2.gz LNGUYZVMQHAYPI-UHFFFAOYSA-N 0 3 339.277 3.135 20 10 EGCDHN Cc1ncncc1[C@@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000848527127 1321969267 /nfs/dbraw/zinc/96/92/67/1321969267.db2.gz SLKUBLKEXZCVDE-GDBMZVCRSA-N 0 3 326.444 3.033 20 10 EGCDHN CCc1cccc(CN2CCN(c3ccc(Cl)cn3)CC2)c1O ZINC000848881188 1322026908 /nfs/dbraw/zinc/02/69/08/1322026908.db2.gz LWRLRYMKALNZKA-UHFFFAOYSA-N 0 3 331.847 3.325 20 10 EGCDHN CCc1cccc(CN2CCCN(C(=O)c3ccccc3)CC2)c1O ZINC000848881848 1322028574 /nfs/dbraw/zinc/02/85/74/1322028574.db2.gz TYOCQSLOJYJWEF-UHFFFAOYSA-N 0 3 338.451 3.303 20 10 EGCDHN COc1cc(CNCc2ccc(OC)nc2)c(O)c(C(C)(C)C)c1 ZINC000850023608 1322183481 /nfs/dbraw/zinc/18/34/81/1322183481.db2.gz VULDSYUCBRYBKZ-UHFFFAOYSA-N 0 3 330.428 3.392 20 10 EGCDHN COc1cc(CNCC(=O)NC2CCCCC2)c(O)c(C(C)(C)C)c1 ZINC000850132749 1322197048 /nfs/dbraw/zinc/19/70/48/1322197048.db2.gz WVAMEHQAPYUELP-UHFFFAOYSA-N 0 3 348.487 3.237 20 10 EGCDHN Cc1ccncc1[C@H](C)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000850568376 1322269089 /nfs/dbraw/zinc/26/90/89/1322269089.db2.gz WOEQSXPXIHFUEB-INIZCTEOSA-N 0 3 325.456 3.202 20 10 EGCDHN C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1cccc(O)c1 ZINC000850566401 1322269677 /nfs/dbraw/zinc/26/96/77/1322269677.db2.gz NEHUXRVXXJJNNX-OAHLLOKOSA-N 0 3 326.440 3.204 20 10 EGCDHN O=C1NCCCN1c1ccc(C[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000850575418 1322270308 /nfs/dbraw/zinc/27/03/08/1322270308.db2.gz VTGURVFOLZOOTF-KRWDZBQOSA-N 0 3 337.423 3.089 20 10 EGCDHN C[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@H]1CO ZINC000857060995 1325564458 /nfs/dbraw/zinc/56/44/58/1325564458.db2.gz HSYSPIJYFYCPMI-LPHOPBHVSA-N 0 3 341.451 3.422 20 10 EGCDHN C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@H]1CO ZINC000857060995 1325564466 /nfs/dbraw/zinc/56/44/66/1325564466.db2.gz HSYSPIJYFYCPMI-LPHOPBHVSA-N 0 3 341.451 3.422 20 10 EGCDHN COC(=O)[C@@H]1CN(Cc2cc(C)c(C)cc2O)Cc2ccccc21 ZINC000862538540 1329493769 /nfs/dbraw/zinc/49/37/69/1329493769.db2.gz TXWLUUQJDZUIKB-GOSISDBHSA-N 0 3 325.408 3.281 20 10 EGCDHN CC(C)N1CCC[C@H]1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000936036237 1330108262 /nfs/dbraw/zinc/10/82/62/1330108262.db2.gz DFILNUFTGAMPIW-INIZCTEOSA-N 0 3 349.438 3.208 20 10 EGCDHN CCc1nn(C)c(OC)c1CN[C@@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001323832644 1387468556 /nfs/dbraw/zinc/46/85/56/1387468556.db2.gz ZFDIVTGIIHNWQJ-SWLSCSKDSA-N 0 3 329.444 3.343 20 10 EGCDHN CC(C)N(C)Cc1cnc2n1CCN(Cc1ccccc1O)[C@H]2C ZINC001203552188 1370167195 /nfs/dbraw/zinc/16/71/95/1370167195.db2.gz DIFXSVUXHFSCLH-HNNXBMFYSA-N 0 3 328.460 3.006 20 10 EGCDHN CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3[O-])C[C@H]2C1 ZINC001203555719 1370168818 /nfs/dbraw/zinc/16/88/18/1370168818.db2.gz DPSKSSSZBRLIDM-HOCLYGCPSA-N 0 3 332.444 3.081 20 10 EGCDHN CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3[O-])C[C@H]2C1 ZINC001203555719 1370168821 /nfs/dbraw/zinc/16/88/21/1370168821.db2.gz DPSKSSSZBRLIDM-HOCLYGCPSA-N 0 3 332.444 3.081 20 10 EGCDHN COc1cccc(CN2CCC(Oc3cccc(Cl)n3)CC2)c1O ZINC001203600212 1370184105 /nfs/dbraw/zinc/18/41/05/1370184105.db2.gz XPCVFVQORYIVNZ-UHFFFAOYSA-N 0 3 348.830 3.493 20 10 EGCDHN CCOC(=O)[C@@]1(C)CCCC[N@H+](Cc2cccc(OCC)c2[O-])C1 ZINC001203603402 1370184919 /nfs/dbraw/zinc/18/49/19/1370184919.db2.gz NNYIUXBLSIYUFC-IBGZPJMESA-N 0 3 335.444 3.346 20 10 EGCDHN CCOC(=O)[C@@]1(C)CCCC[N@@H+](Cc2cccc(OCC)c2[O-])C1 ZINC001203603402 1370184920 /nfs/dbraw/zinc/18/49/20/1370184920.db2.gz NNYIUXBLSIYUFC-IBGZPJMESA-N 0 3 335.444 3.346 20 10 EGCDHN COCCOc1ccc(N2CCN(Cc3ccccc3C)CC2)cc1 ZINC001203708565 1370229912 /nfs/dbraw/zinc/22/99/12/1370229912.db2.gz NLNQJAAZSPXHSN-UHFFFAOYSA-N 0 3 340.467 3.342 20 10 EGCDHN CN(C)c1ccc(CN2CCCC3(C2)OCCO3)c2ccccc21 ZINC001204239653 1370419149 /nfs/dbraw/zinc/41/91/49/1370419149.db2.gz BHZFUQIISANVJG-UHFFFAOYSA-N 0 3 326.440 3.245 20 10 EGCDHN [O-]c1cc(O)ccc1C[NH+]1CCC(OCc2ccccc2F)CC1 ZINC001204275853 1370429168 /nfs/dbraw/zinc/42/91/68/1370429168.db2.gz ZTFSFUWGJSNESL-UHFFFAOYSA-N 0 3 331.387 3.418 20 10 EGCDHN COc1cccc(O[C@H]2CCC[N@H+](Cc3ccc(O)cc3[O-])C2)c1 ZINC001204275489 1370429263 /nfs/dbraw/zinc/42/92/63/1370429263.db2.gz SQYQCOKIEHRVGD-SFHVURJKSA-N 0 3 329.396 3.150 20 10 EGCDHN COc1cccc(O[C@H]2CCC[N@@H+](Cc3ccc(O)cc3[O-])C2)c1 ZINC001204275489 1370429265 /nfs/dbraw/zinc/42/92/65/1370429265.db2.gz SQYQCOKIEHRVGD-SFHVURJKSA-N 0 3 329.396 3.150 20 10 EGCDHN CCC[N@H+](CCOC)Cc1cc(Br)cc(OC)c1[O-] ZINC001204336215 1370447535 /nfs/dbraw/zinc/44/75/35/1370447535.db2.gz HFHLLCJVIGJZOX-UHFFFAOYSA-N 0 3 332.238 3.022 20 10 EGCDHN CCC[N@@H+](CCOC)Cc1cc(Br)cc(OC)c1[O-] ZINC001204336215 1370447537 /nfs/dbraw/zinc/44/75/37/1370447537.db2.gz HFHLLCJVIGJZOX-UHFFFAOYSA-N 0 3 332.238 3.022 20 10 EGCDHN CN(C)c1ccc(CN2CC[C@@](N)(C(F)(F)F)C2)c2ccccc21 ZINC001206221482 1370996429 /nfs/dbraw/zinc/99/64/29/1370996429.db2.gz HMFCASYQNCYBAW-KRWDZBQOSA-N 0 3 337.389 3.371 20 10 EGCDHN CC(C)(C)OC(=O)N1CC[C@H](C[N@@H+]2CCc3cccc([O-])c3C2)C1 ZINC001207216768 1371331526 /nfs/dbraw/zinc/33/15/26/1371331526.db2.gz UDGBLQPZJSYKBT-CQSZACIVSA-N 0 3 332.444 3.007 20 10 EGCDHN CC(C)(C)OC(=O)N1CC[C@H](C[N@H+]2CCc3cccc([O-])c3C2)C1 ZINC001207216768 1371331529 /nfs/dbraw/zinc/33/15/29/1371331529.db2.gz UDGBLQPZJSYKBT-CQSZACIVSA-N 0 3 332.444 3.007 20 10 EGCDHN CCNC(=O)[C@@H]1CCCN1Cc1ccc(-n2c(C)ccc2C)cc1 ZINC001209517301 1372127245 /nfs/dbraw/zinc/12/72/45/1372127245.db2.gz BGZBHWQFWZWWDZ-IBGZPJMESA-N 0 3 325.456 3.195 20 10 EGCDHN CC[NH+](CC)C[C@@H](C)Oc1c(O)c([O-])ccc1C(=O)c1ccccc1 ZINC001227937266 1375492962 /nfs/dbraw/zinc/49/29/62/1375492962.db2.gz HBVGUMLZPRFZPT-CQSZACIVSA-N 0 3 343.423 3.438 20 10 EGCDHN COc1ccc(Br)c(CN2CC[C@](C)(CF)C2)c1O ZINC001231548194 1376262532 /nfs/dbraw/zinc/26/25/32/1376262532.db2.gz PGPMISNYONFKIG-CQSZACIVSA-N 0 3 332.213 3.345 20 10 EGCDHN Cc1cc(C)c(CN2CCN(Cc3ccccc3F)CC2)c(O)c1 ZINC001231845995 1376324816 /nfs/dbraw/zinc/32/48/16/1376324816.db2.gz XBHOIWVAHTWNHM-UHFFFAOYSA-N 0 3 328.431 3.466 20 10 EGCDHN COC[C@@H]1Cn2nccc2CN(Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233285822 1376604773 /nfs/dbraw/zinc/60/47/73/1376604773.db2.gz UTJUKOIZLGUYOP-HNNXBMFYSA-N 0 3 343.471 3.165 20 10 EGCDHN CCN1CCc2cc(O[C@H]3CC[C@H](N4CCOCC4)CC3)ccc21 ZINC001233601014 1376680914 /nfs/dbraw/zinc/68/09/14/1376680914.db2.gz FIZCEOCRBBXZDR-IYARVYRRSA-N 0 3 330.472 3.091 20 10 EGCDHN [O-]c1c(C[N@@H+]2CC[C@@]3(C2)CCCCO3)cccc1OC(F)(F)F ZINC001233737151 1376706289 /nfs/dbraw/zinc/70/62/89/1376706289.db2.gz XIJQGRNGGMNWCP-OAHLLOKOSA-N 0 3 331.334 3.436 20 10 EGCDHN [O-]c1c(C[N@H+]2CC[C@@]3(C2)CCCCO3)cccc1OC(F)(F)F ZINC001233737151 1376706292 /nfs/dbraw/zinc/70/62/92/1376706292.db2.gz XIJQGRNGGMNWCP-OAHLLOKOSA-N 0 3 331.334 3.436 20 10 EGCDHN COC(=O)CC1CC[NH+](Cc2cccc(OC(F)(F)F)c2[O-])CC1 ZINC001233736029 1376706565 /nfs/dbraw/zinc/70/65/65/1376706565.db2.gz BHOXBNMZMMSAQI-UHFFFAOYSA-N 0 3 347.333 3.066 20 10 EGCDHN Cc1cnc(O[C@@H]2CC[N@@H+](Cc3ccc(C(C)C)cc3[O-])C2)nc1 ZINC001237051015 1376971333 /nfs/dbraw/zinc/97/13/33/1376971333.db2.gz GRTMYUPYJYQPTI-QGZVFWFLSA-N 0 3 327.428 3.267 20 10 EGCDHN Cc1cnc(O[C@@H]2CC[N@H+](Cc3ccc(C(C)C)cc3[O-])C2)nc1 ZINC001237051015 1376971338 /nfs/dbraw/zinc/97/13/38/1376971338.db2.gz GRTMYUPYJYQPTI-QGZVFWFLSA-N 0 3 327.428 3.267 20 10 EGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001237053469 1376972288 /nfs/dbraw/zinc/97/22/88/1376972288.db2.gz MKHLXTGDUPKVMB-WBMJQRKESA-N 0 3 345.361 3.334 20 10 EGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001237053469 1376972293 /nfs/dbraw/zinc/97/22/93/1376972293.db2.gz MKHLXTGDUPKVMB-WBMJQRKESA-N 0 3 345.361 3.334 20 10 EGCDHN COC[C@H]1CCCC[N@@H+]1Cc1cc(Br)c(C)cc1[O-] ZINC001237676473 1376982193 /nfs/dbraw/zinc/98/21/93/1376982193.db2.gz IMYRVZUQXMKXAX-CYBMUJFWSA-N 0 3 328.250 3.464 20 10 EGCDHN COC[C@H]1CCCC[N@H+]1Cc1cc(Br)c(C)cc1[O-] ZINC001237676473 1376982196 /nfs/dbraw/zinc/98/21/96/1376982196.db2.gz IMYRVZUQXMKXAX-CYBMUJFWSA-N 0 3 328.250 3.464 20 10 EGCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC001249208217 1377073315 /nfs/dbraw/zinc/07/33/15/1377073315.db2.gz QDGDEEYYQVBMIH-MRXNPFEDSA-N 0 3 343.398 3.236 20 10 EGCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC001249208217 1377073320 /nfs/dbraw/zinc/07/33/20/1377073320.db2.gz QDGDEEYYQVBMIH-MRXNPFEDSA-N 0 3 343.398 3.236 20 10 EGCDHN O=C(N[C@@H]1CCCN(Cc2c([O-])cccc2F)C1)c1ccccc1F ZINC001137841831 1377628935 /nfs/dbraw/zinc/62/89/35/1377628935.db2.gz XAOIYYIJROWBJW-CYBMUJFWSA-N 0 3 346.377 3.065 20 10 EGCDHN O=C(N[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2F)C1)c1ccccc1F ZINC001137841831 1377628938 /nfs/dbraw/zinc/62/89/38/1377628938.db2.gz XAOIYYIJROWBJW-CYBMUJFWSA-N 0 3 346.377 3.065 20 10 EGCDHN O=C(N[C@@H]1CCC[N@H+](Cc2c([O-])cccc2F)C1)c1ccccc1F ZINC001137841831 1377628940 /nfs/dbraw/zinc/62/89/40/1377628940.db2.gz XAOIYYIJROWBJW-CYBMUJFWSA-N 0 3 346.377 3.065 20 10 EGCDHN O=C(N[C@@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1)C1CC1 ZINC001138222272 1377690897 /nfs/dbraw/zinc/69/08/97/1377690897.db2.gz PAHNHLGJGDAPAO-LJQANCHMSA-N 0 3 341.499 3.168 20 10 EGCDHN Cc1c(CN2CC(CNC(=O)OC(C)(C)C)C2)c2ccccc2n1C ZINC001138252800 1377694324 /nfs/dbraw/zinc/69/43/24/1377694324.db2.gz VCDSWHUXBUFPEQ-UHFFFAOYSA-N 0 3 343.471 3.443 20 10 EGCDHN Oc1c(CN2CC3(C2)C[C@H](F)CS3)cc2c3c1CCCN3CCC2 ZINC001138339464 1377705353 /nfs/dbraw/zinc/70/53/53/1377705353.db2.gz FZMGSZBWXIXYLC-HNNXBMFYSA-N 0 3 348.487 3.120 20 10 EGCDHN CN1CCCc2cc(CN3CCC(NC(=O)C(C)(C)C)CC3)ccc21 ZINC001138358961 1377709544 /nfs/dbraw/zinc/70/95/44/1377709544.db2.gz FKJHOIUSFPIFIU-UHFFFAOYSA-N 0 3 343.515 3.196 20 10 EGCDHN COc1cccc(N2CCN(Cc3ccc(N(C)C)c(C)c3)CC2)c1 ZINC001139669549 1377930676 /nfs/dbraw/zinc/93/06/76/1377930676.db2.gz AEIYXHBAVMGKQY-UHFFFAOYSA-N 0 3 339.483 3.392 20 10 EGCDHN Cc1ccc(C)c(CN2CCN(CCOc3ccccc3)CC2)c1O ZINC001140178919 1378026643 /nfs/dbraw/zinc/02/66/43/1378026643.db2.gz CKYUOOMTRKNDBX-UHFFFAOYSA-N 0 3 340.467 3.206 20 10 EGCDHN Cc1ccc(C)c(CN2CCN(c3cc(Cl)ccn3)CC2)c1O ZINC001140182510 1378026983 /nfs/dbraw/zinc/02/69/83/1378026983.db2.gz TVBINPFHEZFTMP-UHFFFAOYSA-N 0 3 331.847 3.380 20 10 EGCDHN COC(=O)c1ccc2c(c1)CN(Cc1c(C)ccc(C)c1O)CC2 ZINC001140182015 1378027016 /nfs/dbraw/zinc/02/70/16/1378027016.db2.gz FQOZOIFNOAJUBG-UHFFFAOYSA-N 0 3 325.408 3.354 20 10 EGCDHN CC(C)=CCN1CC[C@]2(CCCN2Cc2cc(F)ccc2O)C1=O ZINC001273284956 1378094731 /nfs/dbraw/zinc/09/47/31/1378094731.db2.gz LNTGPZMVCDFKBG-LJQANCHMSA-N 0 3 332.419 3.064 20 10 EGCDHN Cc1ccc(O)c(CN2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)c1 ZINC001140619758 1378099791 /nfs/dbraw/zinc/09/97/91/1378099791.db2.gz NGZNZIFBQAFPAX-GDBMZVCRSA-N 0 3 332.444 3.142 20 10 EGCDHN COC(CN(Cc1ccccc1)Cc1ccc(O)c(C)c1O)OC ZINC001140742185 1378128543 /nfs/dbraw/zinc/12/85/43/1378128543.db2.gz JOUUOZCZEYUHOS-UHFFFAOYSA-N 0 3 331.412 3.027 20 10 EGCDHN Cc1c(O)ccc(CN2CCN(Cc3ccccc3)[C@@H](C)C2)c1O ZINC001140747641 1378129123 /nfs/dbraw/zinc/12/91/23/1378129123.db2.gz HETKUXBJOKSBPM-HNNXBMFYSA-N 0 3 326.440 3.113 20 10 EGCDHN Cc1cccc(C)c1N1CCN(Cc2ccc(O)c(C)c2O)CC1 ZINC001140749585 1378129741 /nfs/dbraw/zinc/12/97/41/1378129741.db2.gz FSFAXISFLXXCGA-UHFFFAOYSA-N 0 3 326.440 3.345 20 10 EGCDHN CC(=O)N1CCCC[C@]12CCN(Cc1ccc(N(C)C)cc1Cl)C2 ZINC001140925019 1378181697 /nfs/dbraw/zinc/18/16/97/1378181697.db2.gz YERZQVNEOUGVAY-LJQANCHMSA-N 0 3 349.906 3.383 20 10 EGCDHN COc1ccc(CC[N@H+](C)Cc2c([O-])cc(OC)cc2OC)cc1 ZINC001141028522 1378212131 /nfs/dbraw/zinc/21/21/31/1378212131.db2.gz RYLYDTUATAOUTP-UHFFFAOYSA-N 0 3 331.412 3.093 20 10 EGCDHN COc1ccc(CC[N@@H+](C)Cc2c([O-])cc(OC)cc2OC)cc1 ZINC001141028522 1378212135 /nfs/dbraw/zinc/21/21/35/1378212135.db2.gz RYLYDTUATAOUTP-UHFFFAOYSA-N 0 3 331.412 3.093 20 10 EGCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](Oc3ccccc3)C2)c(OC)c1 ZINC001141028465 1378212591 /nfs/dbraw/zinc/21/25/91/1378212591.db2.gz PMMNSJQWDBQYEK-MRXNPFEDSA-N 0 3 343.423 3.453 20 10 EGCDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H](Oc3ccccc3)C2)c(OC)c1 ZINC001141028465 1378212596 /nfs/dbraw/zinc/21/25/96/1378212596.db2.gz PMMNSJQWDBQYEK-MRXNPFEDSA-N 0 3 343.423 3.453 20 10 EGCDHN COc1ccc([C@H]2CC[N@H+](Cc3c([O-])cc(OC)cc3OC)C2)cc1 ZINC001141030833 1378213345 /nfs/dbraw/zinc/21/33/45/1378213345.db2.gz MYBRRCITHGAQQQ-HNNXBMFYSA-N 0 3 343.423 3.408 20 10 EGCDHN COc1ccc([C@H]2CC[N@@H+](Cc3c([O-])cc(OC)cc3OC)C2)cc1 ZINC001141030833 1378213350 /nfs/dbraw/zinc/21/33/50/1378213350.db2.gz MYBRRCITHGAQQQ-HNNXBMFYSA-N 0 3 343.423 3.408 20 10 EGCDHN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@@H](N)CC1CCC1 ZINC001157435827 1380891622 /nfs/dbraw/zinc/89/16/22/1380891622.db2.gz WYPXQRQMVCBVKA-MAUKXSAKSA-N 0 3 330.472 3.266 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+]C[C@H](CO)CC2CCOCC2)c2c1c(F)ccc2[O-] ZINC001339286142 1389974902 /nfs/dbraw/zinc/97/49/02/1389974902.db2.gz HZPLEBDTPWABRM-XPKDYRNWSA-N 0 3 337.435 3.094 20 10 EGCDHN COc1ccc(CNC/C=C/CNC(=O)[C@@H]2CCCC23CC3)cc1C ZINC001754139148 1440544162 /nfs/dbraw/zinc/54/41/62/1440544162.db2.gz WYPGVDUETLQQEU-WHLIDYPQSA-N 0 3 342.483 3.346 20 10 EGCDHN CC(C)Oc1ccc([C@@H](O)C[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000297546602 202125709 /nfs/dbraw/zinc/12/57/09/202125709.db2.gz FIJADKVLXIRRQK-HKUYNNGSSA-N 0 3 327.424 3.490 20 10 EGCDHN CN(C)Cc1ccc(C(=O)NCCCSc2nccs2)cc1 ZINC000071907638 203146205 /nfs/dbraw/zinc/14/62/05/203146205.db2.gz CQWUPKRVWDUVHG-UHFFFAOYSA-N 0 3 335.498 3.117 20 10 EGCDHN Cc1nccn1CC[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000275337287 456272684 /nfs/dbraw/zinc/27/26/84/456272684.db2.gz NZZCVVPJIWWAGC-LLVKDONJSA-N 0 3 338.249 3.319 20 10 EGCDHN C[N@@H+](Cc1ccc(OCc2ccccc2)cc1[O-])C[C@H]1CCOC1 ZINC000183114799 455232407 /nfs/dbraw/zinc/23/24/07/455232407.db2.gz JIVZXRUVDPJMGR-QGZVFWFLSA-N 0 3 327.424 3.440 20 10 EGCDHN C[N@H+](Cc1ccc(OCc2ccccc2)cc1[O-])C[C@H]1CCOC1 ZINC000183114799 455232411 /nfs/dbraw/zinc/23/24/11/455232411.db2.gz JIVZXRUVDPJMGR-QGZVFWFLSA-N 0 3 327.424 3.440 20 10 EGCDHN Cc1ccc([C@H](CNC(=O)Cc2ccc(N)cc2)N2CCCC2)cc1 ZINC000237917141 455233845 /nfs/dbraw/zinc/23/38/45/455233845.db2.gz LLZYPSATOVVRLE-FQEVSTJZSA-N 0 3 337.467 3.073 20 10 EGCDHN CCC[N@H+](Cc1cc2c(cc1[O-])OCO2)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000077164883 454069098 /nfs/dbraw/zinc/06/90/98/454069098.db2.gz JLBDJFCURLTNRX-VHSSKADRSA-N 0 3 333.428 3.146 20 10 EGCDHN CCC[N@@H+](Cc1cc2c(cc1[O-])OCO2)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000077164883 454069100 /nfs/dbraw/zinc/06/91/00/454069100.db2.gz JLBDJFCURLTNRX-VHSSKADRSA-N 0 3 333.428 3.146 20 10 EGCDHN COc1ccc(CNCc2cccc(OC)c2O)c(OC(F)F)c1 ZINC000266189885 455424958 /nfs/dbraw/zinc/42/49/58/455424958.db2.gz YFUZGHJLLUIYIW-UHFFFAOYSA-N 0 3 339.338 3.301 20 10 EGCDHN CCOc1cccc(CN2CCC(CC(=O)N3CCCC3)CC2)c1O ZINC000092056161 454511046 /nfs/dbraw/zinc/51/10/46/454511046.db2.gz ZPUHNTJJNPYKMO-UHFFFAOYSA-N 0 3 346.471 3.015 20 10 EGCDHN CCOc1cccc(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)c1[O-] ZINC000092056161 454511050 /nfs/dbraw/zinc/51/10/50/454511050.db2.gz ZPUHNTJJNPYKMO-UHFFFAOYSA-N 0 3 346.471 3.015 20 10 EGCDHN COc1ccc(N2CCCN(Cc3ccc(OC)c(O)c3)CC2)cc1 ZINC000092380710 454559043 /nfs/dbraw/zinc/55/90/43/454559043.db2.gz MNANERGNWQZQPG-UHFFFAOYSA-N 0 3 342.439 3.122 20 10 EGCDHN O=C(/C=C/c1cncc(F)c1)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000105369482 454637326 /nfs/dbraw/zinc/63/73/26/454637326.db2.gz KJAFVITXDUQAGJ-LKGOPFMKSA-N 0 3 337.398 3.245 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)c3ccoc3)CC2)c([O-])c1 ZINC000184979829 455480779 /nfs/dbraw/zinc/48/07/79/455480779.db2.gz FFHCRGXNWGLHFT-CQSZACIVSA-N 0 3 328.412 3.249 20 10 EGCDHN C[C@@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000164517356 454884487 /nfs/dbraw/zinc/88/44/87/454884487.db2.gz KAPVPBQICOONPH-ZBFHGGJFSA-N 0 3 333.476 3.413 20 10 EGCDHN COc1ccc([C@@H](CO)N(C)Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000126413072 454892417 /nfs/dbraw/zinc/89/24/17/454892417.db2.gz BOHXKGKDIXATPS-LJQANCHMSA-N 0 3 332.419 3.066 20 10 EGCDHN COc1ccc([C@@H]2CC[N@H+](Cc3cc4c(cc3[O-])OCO4)C2)cc1 ZINC000154559959 454907073 /nfs/dbraw/zinc/90/70/73/454907073.db2.gz FGHBWVYMRUHLTR-CQSZACIVSA-N 0 3 327.380 3.119 20 10 EGCDHN COc1ccc([C@@H]2CC[N@@H+](Cc3cc4c(cc3[O-])OCO4)C2)cc1 ZINC000154559959 454907077 /nfs/dbraw/zinc/90/70/77/454907077.db2.gz FGHBWVYMRUHLTR-CQSZACIVSA-N 0 3 327.380 3.119 20 10 EGCDHN CC[C@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1)c1ccccc1[O-] ZINC000155594948 455020258 /nfs/dbraw/zinc/02/02/58/455020258.db2.gz ROHKWWIXGRJBJJ-GUYCJALGSA-N 0 3 348.468 3.102 20 10 EGCDHN Cc1ccc(O)c(CN2CCCN(C(=O)c3ccccc3F)CC2)c1 ZINC000128943174 455092439 /nfs/dbraw/zinc/09/24/39/455092439.db2.gz RIUQICGZTPANSI-UHFFFAOYSA-N 0 3 342.414 3.188 20 10 EGCDHN CCOCc1cc(CNC[C@@](C)(O)c2ccccc2)ccc1OC ZINC000172016157 455109102 /nfs/dbraw/zinc/10/91/02/455109102.db2.gz VNARXMNCONAIOZ-HXUWFJFHSA-N 0 3 329.440 3.229 20 10 EGCDHN CC[C@H]([NH2+]CCCNC(=O)c1ccc(F)cc1)c1ccccc1[O-] ZINC000156524873 455128289 /nfs/dbraw/zinc/12/82/89/455128289.db2.gz BGQBLFOYZLDYAU-KRWDZBQOSA-N 0 3 330.403 3.392 20 10 EGCDHN COc1cccc(C[NH2+]C[C@H](c2ccco2)N2CCCCC2)c1[O-] ZINC000237377718 455179363 /nfs/dbraw/zinc/17/93/63/455179363.db2.gz OSQFAIBWLDSQON-MRXNPFEDSA-N 0 3 330.428 3.311 20 10 EGCDHN CCCOc1ccc(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c([O-])c1 ZINC000190283255 455293171 /nfs/dbraw/zinc/29/31/71/455293171.db2.gz XINXXCJNXWLDQW-WMZOPIPTSA-N 0 3 347.480 3.450 20 10 EGCDHN CCCOc1ccc(C[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c([O-])c1 ZINC000190283255 455293175 /nfs/dbraw/zinc/29/31/75/455293175.db2.gz XINXXCJNXWLDQW-WMZOPIPTSA-N 0 3 347.480 3.450 20 10 EGCDHN CC[C@@H]([NH2+][C@@H]1CCN(c2ccccc2OC)C1=O)c1ccccc1[O-] ZINC000183327629 455277699 /nfs/dbraw/zinc/27/76/99/455277699.db2.gz QFPIBBXLUYXEJB-HZPDHXFCSA-N 0 3 340.423 3.247 20 10 EGCDHN C[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1ccccc1[O-] ZINC000183386857 455285848 /nfs/dbraw/zinc/28/58/48/455285848.db2.gz ZMLJOFFNHUGVMZ-MRXNPFEDSA-N 0 3 326.440 3.075 20 10 EGCDHN C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccccc1[O-] ZINC000183474487 455297657 /nfs/dbraw/zinc/29/76/57/455297657.db2.gz UXZLRWHMTGLYFS-APWZRJJASA-N 0 3 338.451 3.277 20 10 EGCDHN Cc1cc(N2CCC([NH2+][C@H](C)c3ccccc3[O-])CC2)nc(C)n1 ZINC000183545443 455304317 /nfs/dbraw/zinc/30/43/17/455304317.db2.gz IGSUBRGBRYIOFW-CQSZACIVSA-N 0 3 326.444 3.119 20 10 EGCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)COCc1cccs1 ZINC000174372056 455383611 /nfs/dbraw/zinc/38/36/11/455383611.db2.gz KOTORLMJJYGDGO-INIZCTEOSA-N 0 3 335.469 3.243 20 10 EGCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)COCc1cccs1 ZINC000174372056 455383616 /nfs/dbraw/zinc/38/36/16/455383616.db2.gz KOTORLMJJYGDGO-INIZCTEOSA-N 0 3 335.469 3.243 20 10 EGCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000266886870 455468346 /nfs/dbraw/zinc/46/83/46/455468346.db2.gz XRIIGAITMIKDGL-MRXNPFEDSA-N 0 3 346.519 3.155 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](c2ccccc2)N2CCOCC2)c([O-])c1 ZINC000184919350 455472307 /nfs/dbraw/zinc/47/23/07/455472307.db2.gz YUQNECJTRZELFE-PXNSSMCTSA-N 0 3 340.467 3.425 20 10 EGCDHN COc1ccc(O)c([C@H](C)N[C@H]2CCN(c3ccc(C)cc3)C2=O)c1 ZINC000182323826 455488727 /nfs/dbraw/zinc/48/87/27/455488727.db2.gz AAUWARXJKQWTGW-KSSFIOAISA-N 0 3 340.423 3.165 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](c2ccc(F)cc2)N(C)C)c1 ZINC000185079960 455497498 /nfs/dbraw/zinc/49/74/98/455497498.db2.gz UBWTZEUJLGOBQD-FZKQIMNGSA-N 0 3 332.419 3.493 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C2CCN(c3ccccn3)CC2)c1 ZINC000192709350 455674963 /nfs/dbraw/zinc/67/49/63/455674963.db2.gz BHMDSCRYNRQYDN-AWEZNQCLSA-N 0 3 327.428 3.115 20 10 EGCDHN COc1ccc([C@H](OC)[C@@H](C)[NH2+]Cc2cccc(OC)c2[O-])cc1 ZINC000271583571 455691574 /nfs/dbraw/zinc/69/15/74/455691574.db2.gz VPWPGLZDQCZNJC-BFUOFWGJSA-N 0 3 331.412 3.275 20 10 EGCDHN CCS(=O)(=O)c1ccc(CN[C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000186372881 455754321 /nfs/dbraw/zinc/75/43/21/455754321.db2.gz WDYWHXKHYMGNCP-ZDUSSCGKSA-N 0 3 349.452 3.045 20 10 EGCDHN Cc1cccc(CN[C@@H](CO)c2ccc(Br)cc2)c1O ZINC000271797133 455764608 /nfs/dbraw/zinc/76/46/08/455764608.db2.gz IESXNVMZQRXPGY-HNNXBMFYSA-N 0 3 336.229 3.286 20 10 EGCDHN C[C@@H](CCN1CCN(C)CC1)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000186600765 455803219 /nfs/dbraw/zinc/80/32/19/455803219.db2.gz URJBCQANEPUAHX-IRXDYDNUSA-N 0 3 341.499 3.222 20 10 EGCDHN COc1ccc(O)c(CN2CCC(Oc3ccncc3C)CC2)c1 ZINC000278634201 455843450 /nfs/dbraw/zinc/84/34/50/455843450.db2.gz IKNXJOSMBZGGLQ-UHFFFAOYSA-N 0 3 328.412 3.148 20 10 EGCDHN CS(=O)(=O)C1(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCC1 ZINC000279849212 455875968 /nfs/dbraw/zinc/87/59/68/455875968.db2.gz RQGHWPOIJOZJKR-UHFFFAOYSA-N 0 3 345.464 3.116 20 10 EGCDHN CC[C@@H]([NH2+]C1CCN(c2cc(C)[nH]n2)CC1)c1ccc(C)cc1[O-] ZINC000280001557 455880786 /nfs/dbraw/zinc/88/07/86/455880786.db2.gz FYFJKVACDXAKDA-QGZVFWFLSA-N 0 3 328.460 3.442 20 10 EGCDHN COCCCOc1ccc(CNCc2cccc(OC)c2O)cc1 ZINC000285679925 455895515 /nfs/dbraw/zinc/89/55/15/455895515.db2.gz UTMZSFKJLPAZOM-UHFFFAOYSA-N 0 3 331.412 3.106 20 10 EGCDHN COCCCOc1ccc(C[NH2+]Cc2cccc(OC)c2[O-])cc1 ZINC000285679925 455895520 /nfs/dbraw/zinc/89/55/20/455895520.db2.gz UTMZSFKJLPAZOM-UHFFFAOYSA-N 0 3 331.412 3.106 20 10 EGCDHN CN(Cc1cccs1)c1ccc(CNC[C@H](O)C(F)(F)F)cc1 ZINC000296294528 455902279 /nfs/dbraw/zinc/90/22/79/455902279.db2.gz FSWOVAVZOONPBL-HNNXBMFYSA-N 0 3 344.402 3.397 20 10 EGCDHN C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1cc(Br)ccc1[O-] ZINC000296419301 455933377 /nfs/dbraw/zinc/93/33/77/455933377.db2.gz LGPAEMGLQMQJQD-HLVVYCRESA-N 0 3 339.277 3.431 20 10 EGCDHN Cc1cccc(C[NH2+]CCCCn2cc(Br)cn2)c1[O-] ZINC000280596042 456009300 /nfs/dbraw/zinc/00/93/00/456009300.db2.gz NQKDJESQVKDQGD-UHFFFAOYSA-N 0 3 338.249 3.230 20 10 EGCDHN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000272621799 456017598 /nfs/dbraw/zinc/01/75/98/456017598.db2.gz LYQKTNIFSJZIFQ-QWHCGFSZSA-N 0 3 338.423 3.266 20 10 EGCDHN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000272621799 456017604 /nfs/dbraw/zinc/01/76/04/456017604.db2.gz LYQKTNIFSJZIFQ-QWHCGFSZSA-N 0 3 338.423 3.266 20 10 EGCDHN CC[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1cccc(Cl)c1[O-] ZINC000287598069 456073408 /nfs/dbraw/zinc/07/34/08/456073408.db2.gz IMOQRPVSJPPABS-QGZVFWFLSA-N 0 3 339.911 3.114 20 10 EGCDHN COC[C@@H](NCc1cc2c(cc1O)OCO2)c1cccc(Cl)c1 ZINC000288546971 456099204 /nfs/dbraw/zinc/09/92/04/456099204.db2.gz LDXJVBGMAQNMHO-CQSZACIVSA-N 0 3 335.787 3.252 20 10 EGCDHN CCOCc1cc(CN[C@H](C)[C@@H](O)c2ccccc2)ccc1OC ZINC000288634066 456102124 /nfs/dbraw/zinc/10/21/24/456102124.db2.gz SZVPQJYAZIBDSN-FOIQADDNSA-N 0 3 329.440 3.443 20 10 EGCDHN COC[C@]1(C[NH2+][C@H](C)c2cc(C)ccc2[O-])OCCc2ccccc21 ZINC000289609898 456132785 /nfs/dbraw/zinc/13/27/85/456132785.db2.gz CZWZYWBUOBFISF-IERDGZPVSA-N 0 3 341.451 3.466 20 10 EGCDHN COc1cccc(CN2CCC(Oc3cc(C)ccn3)CC2)c1O ZINC000273002167 456140963 /nfs/dbraw/zinc/14/09/63/456140963.db2.gz ZNAKUCZYAYWDGL-UHFFFAOYSA-N 0 3 328.412 3.148 20 10 EGCDHN [O-]c1ccccc1C[N@H+](CC[C@H](O)c1ccccc1)C[C@@H]1CCCO1 ZINC000289882682 456166626 /nfs/dbraw/zinc/16/66/26/456166626.db2.gz MDQGYJRFQOILHX-FPOVZHCZSA-N 0 3 341.451 3.497 20 10 EGCDHN [O-]c1ccccc1C[N@@H+](CC[C@H](O)c1ccccc1)C[C@@H]1CCCO1 ZINC000289882682 456166633 /nfs/dbraw/zinc/16/66/33/456166633.db2.gz MDQGYJRFQOILHX-FPOVZHCZSA-N 0 3 341.451 3.497 20 10 EGCDHN COc1cccc(CN2CCC[C@@H](c3noc(C4CC4)n3)C2)c1O ZINC000271229744 456184044 /nfs/dbraw/zinc/18/40/44/456184044.db2.gz TXYJOCOIEZAOMQ-CQSZACIVSA-N 0 3 329.400 3.041 20 10 EGCDHN CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000263688841 456192986 /nfs/dbraw/zinc/19/29/86/456192986.db2.gz OFXJGPIIPXJXJJ-GJZGRUSLSA-N 0 3 326.440 3.452 20 10 EGCDHN COC[C@@]1(C[NH2+][C@@H](C)c2ccccc2[O-])OCCc2ccccc21 ZINC000289980476 456204238 /nfs/dbraw/zinc/20/42/38/456204238.db2.gz XWFASEVMLPUDCV-MGPUTAFESA-N 0 3 327.424 3.157 20 10 EGCDHN C[C@@H]([NH2+]CC1=CCN(C)CC1)c1ccc(Br)cc1[O-] ZINC000273344621 456223556 /nfs/dbraw/zinc/22/35/56/456223556.db2.gz AGJKPGSEHRQLLZ-LLVKDONJSA-N 0 3 325.250 3.067 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)c1 ZINC000273363778 456225015 /nfs/dbraw/zinc/22/50/15/456225015.db2.gz DPLCVRZCPHVLCB-HIFRSBDPSA-N 0 3 333.403 3.042 20 10 EGCDHN CCNC(=O)COc1cccc(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])c1 ZINC000273393791 456226803 /nfs/dbraw/zinc/22/68/03/456226803.db2.gz LKIBHMBCBZPCEE-HNNXBMFYSA-N 0 3 342.439 3.066 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]CC2(N3CCCC3)CCOCC2)c([O-])c1C ZINC000273461038 456231959 /nfs/dbraw/zinc/23/19/59/456231959.db2.gz CSWDAIYNMQHHJM-QGZVFWFLSA-N 0 3 332.488 3.305 20 10 EGCDHN CCOCc1cc(CN[C@@H]2C[C@H](OCC)[C@@]23CCCO3)ccc1OC ZINC000273535545 456237241 /nfs/dbraw/zinc/23/72/41/456237241.db2.gz ALENFDVUMVKLOE-HSALFYBXSA-N 0 3 349.471 3.048 20 10 EGCDHN C[C@H](NC1CC[NH+](C2CCCC2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273567943 456239145 /nfs/dbraw/zinc/23/91/45/456239145.db2.gz JZGBOTGOTLZLGV-ZDUSSCGKSA-N 0 3 333.432 3.358 20 10 EGCDHN CCOCCCN1CC[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)[C@H](C)C1 ZINC000297549391 456249166 /nfs/dbraw/zinc/24/91/66/456249166.db2.gz FOGDUNIPKURBRW-BPQIPLTHSA-N 0 3 332.488 3.106 20 10 EGCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000290176920 456259851 /nfs/dbraw/zinc/25/98/51/456259851.db2.gz NKNAPHKVPZMAPM-HXUWFJFHSA-N 0 3 329.415 3.267 20 10 EGCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000290176920 456259856 /nfs/dbraw/zinc/25/98/56/456259856.db2.gz NKNAPHKVPZMAPM-HXUWFJFHSA-N 0 3 329.415 3.267 20 10 EGCDHN Cc1cc(O)c(CN2CCC(Oc3cncc(Cl)n3)CC2)cc1C ZINC000275058908 456269275 /nfs/dbraw/zinc/26/92/75/456269275.db2.gz HIBLXOYCLMYKEU-UHFFFAOYSA-N 0 3 347.846 3.496 20 10 EGCDHN Cc1cc([O-])c(C[NH+]2CCC(Oc3cncc(Cl)n3)CC2)cc1C ZINC000275058908 456269278 /nfs/dbraw/zinc/26/92/78/456269278.db2.gz HIBLXOYCLMYKEU-UHFFFAOYSA-N 0 3 347.846 3.496 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)CC[S@](C)=O)c1[O-] ZINC000275372085 456274265 /nfs/dbraw/zinc/27/42/65/456274265.db2.gz VVXWCJYGBWMGSP-FDMGOTLNSA-N 0 3 348.306 3.271 20 10 EGCDHN CC(C)(C)OC(=O)N1CCC([NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000297967679 456333976 /nfs/dbraw/zinc/33/39/76/456333976.db2.gz ZPMXKZANSIFOPC-OAHLLOKOSA-N 0 3 332.444 3.369 20 10 EGCDHN CCOc1ccc(O)c(CN[C@H]2CCCN(C3CCCCC3)C2=O)c1 ZINC000276186851 456407813 /nfs/dbraw/zinc/40/78/13/456407813.db2.gz LCTVIYBFCWLFAB-SFHVURJKSA-N 0 3 346.471 3.204 20 10 EGCDHN C[C@@H](C[S@](C)=O)NCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000375742450 458045475 /nfs/dbraw/zinc/04/54/75/458045475.db2.gz LPGWFUYNOGKJLI-FYSMJZIKSA-N 0 3 342.508 3.106 20 10 EGCDHN COc1cccc(C[NH2+][C@H]2CCN([C@H](C)c3ccccc3)C2)c1[O-] ZINC000369037429 458073166 /nfs/dbraw/zinc/07/31/66/458073166.db2.gz XEWKVMGCJNVBBZ-QAPCUYQASA-N 0 3 326.440 3.326 20 10 EGCDHN COc1cc2c(c(OC)c1OC)CC[N@H+](Cc1ccccc1[O-])CC2 ZINC000376541561 458333316 /nfs/dbraw/zinc/33/33/16/458333316.db2.gz UZEFZOYWIRHTSW-UHFFFAOYSA-N 0 3 343.423 3.019 20 10 EGCDHN COc1cc2c(c(OC)c1OC)CC[N@@H+](Cc1ccccc1[O-])CC2 ZINC000376541561 458333322 /nfs/dbraw/zinc/33/33/22/458333322.db2.gz UZEFZOYWIRHTSW-UHFFFAOYSA-N 0 3 343.423 3.019 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ncccc3F)C2)c([O-])c1C ZINC000373255320 458443896 /nfs/dbraw/zinc/44/38/96/458443896.db2.gz KCCUSRZXBJKGGU-CABCVRRESA-N 0 3 329.419 3.473 20 10 EGCDHN COc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)c([O-])c1 ZINC000373465444 458500327 /nfs/dbraw/zinc/50/03/27/458500327.db2.gz LAKRJDYLBKMMNE-UHFFFAOYSA-N 0 3 327.359 3.220 20 10 EGCDHN c1nc2cc(CNCc3ccc(N4CCSCC4)cc3)ccc2[nH]1 ZINC000727467239 574669214 /nfs/dbraw/zinc/66/92/14/574669214.db2.gz QWXFBUWPHCTDRE-UHFFFAOYSA-N 0 3 338.480 3.406 20 10 EGCDHN c1nc2ccc(CNCc3ccc(N4CCSCC4)cc3)cc2[nH]1 ZINC000727467239 574669217 /nfs/dbraw/zinc/66/92/17/574669217.db2.gz QWXFBUWPHCTDRE-UHFFFAOYSA-N 0 3 338.480 3.406 20 10 EGCDHN C[C@H](NCc1ccc2[nH]cnc2c1)c1ccc(N2CCOCC2)cc1 ZINC000727469311 574670195 /nfs/dbraw/zinc/67/01/95/574670195.db2.gz WEZWKHJGMVZVKR-HNNXBMFYSA-N 0 3 336.439 3.250 20 10 EGCDHN C[C@H](NCc1ccc2nc[nH]c2c1)c1ccc(N2CCOCC2)cc1 ZINC000727469311 574670197 /nfs/dbraw/zinc/67/01/97/574670197.db2.gz WEZWKHJGMVZVKR-HNNXBMFYSA-N 0 3 336.439 3.250 20 10 EGCDHN CCCN(CC(=O)N(C)Cc1ccccc1)Cc1ccccc1O ZINC000727831219 574692863 /nfs/dbraw/zinc/69/28/63/574692863.db2.gz OTQZHDKUQZYDTE-UHFFFAOYSA-N 0 3 326.440 3.263 20 10 EGCDHN C[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])[C@H](C)N1CCOCC1 ZINC000729686830 574880076 /nfs/dbraw/zinc/88/00/76/574880076.db2.gz IUTWNTJNSQAWOG-SJORKVTESA-N 0 3 340.467 3.258 20 10 EGCDHN CCN(CC)c1ccc(CNC(=O)[C@H]2CCCCN2CC)cc1F ZINC000731345708 575067152 /nfs/dbraw/zinc/06/71/52/575067152.db2.gz GNKQWFZNBOLKJM-GOSISDBHSA-N 0 3 335.467 3.163 20 10 EGCDHN [O-]c1ccccc1C[NH2+][C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000734843931 575559543 /nfs/dbraw/zinc/55/95/43/575559543.db2.gz SYLBDVIRCHMASA-HOCLYGCPSA-N 0 3 325.330 3.016 20 10 EGCDHN C[C@](CO)([NH2+]Cc1ccccc1[O-])c1cccc(C(F)(F)F)c1 ZINC000734845587 575559670 /nfs/dbraw/zinc/55/96/70/575559670.db2.gz VWHAJUAELHHHFP-MRXNPFEDSA-N 0 3 325.330 3.408 20 10 EGCDHN CCN(Cc1ccccc1)c1ccc(CNCC[S@@](C)=O)cc1 ZINC000735085251 575601646 /nfs/dbraw/zinc/60/16/46/575601646.db2.gz NPVGRXIINGJCAA-HSZRJFAPSA-N 0 3 330.497 3.181 20 10 EGCDHN CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc([O-])cs1 ZINC000743806604 576816143 /nfs/dbraw/zinc/81/61/43/576816143.db2.gz LZUSYJAWARSTMM-OAHLLOKOSA-N 0 3 330.453 3.048 20 10 EGCDHN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc([O-])cs1 ZINC000743806604 576816144 /nfs/dbraw/zinc/81/61/44/576816144.db2.gz LZUSYJAWARSTMM-OAHLLOKOSA-N 0 3 330.453 3.048 20 10 EGCDHN CCN1CC[C@@H](C[NH2+]Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708087448 1298234555 /nfs/dbraw/zinc/23/45/55/1298234555.db2.gz BVBXUDKBLISCHT-JTQLQIEISA-N 0 3 347.684 3.240 20 10 EGCDHN COC1CCN(CC[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000751148539 1299516585 /nfs/dbraw/zinc/51/65/85/1299516585.db2.gz WLQRZFHTGJLQSE-UHFFFAOYSA-N 0 3 340.467 3.260 20 10 EGCDHN CCOC(=O)[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000006999419 1291055701 /nfs/dbraw/zinc/05/57/01/1291055701.db2.gz YNISMBAWYROXSE-HNNXBMFYSA-N 0 3 343.423 3.329 20 10 EGCDHN CCOC(=O)[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000006999419 1291055710 /nfs/dbraw/zinc/05/57/10/1291055710.db2.gz YNISMBAWYROXSE-HNNXBMFYSA-N 0 3 343.423 3.329 20 10 EGCDHN CCCC[N@H+](Cc1c([O-])ccc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000014261245 1291139878 /nfs/dbraw/zinc/13/98/78/1291139878.db2.gz ZMXOEGCPKHWMOE-MRXNPFEDSA-N 0 3 347.480 3.335 20 10 EGCDHN CCCC[N@@H+](Cc1c([O-])ccc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000014261245 1291139884 /nfs/dbraw/zinc/13/98/84/1291139884.db2.gz ZMXOEGCPKHWMOE-MRXNPFEDSA-N 0 3 347.480 3.335 20 10 EGCDHN CCCCN(Cc1c(O)ccc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000014261245 1291139889 /nfs/dbraw/zinc/13/98/89/1291139889.db2.gz ZMXOEGCPKHWMOE-MRXNPFEDSA-N 0 3 347.480 3.335 20 10 EGCDHN CNC(=O)c1ccc(CNCc2ccc(N3CCCCC3)cc2)cc1 ZINC000030671777 1291352590 /nfs/dbraw/zinc/35/25/90/1291352590.db2.gz DQXSGJSIASVZBS-UHFFFAOYSA-N 0 3 337.467 3.326 20 10 EGCDHN CC(C)N1CCN(c2cccc(NC(=O)c3ccc(N)cc3)c2)CC1 ZINC000831491163 1292871936 /nfs/dbraw/zinc/87/19/36/1292871936.db2.gz VHNVLXDSTHAFNH-UHFFFAOYSA-N 0 3 338.455 3.052 20 10 EGCDHN COc1cc(OC)cc(OCCC[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000834676159 1293131766 /nfs/dbraw/zinc/13/17/66/1293131766.db2.gz PJJRWKAQJXPYJC-SFHVURJKSA-N 0 3 343.423 3.455 20 10 EGCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@]1(CO)C[C@@H]1c1ccc(F)cc1)CC2 ZINC000834783032 1293147141 /nfs/dbraw/zinc/14/71/41/1293147141.db2.gz ARAVJGFQTQVZLG-FUHIMQAGSA-N 0 3 327.399 3.274 20 10 EGCDHN Fc1cccc(C2(NCc3ccc(N4CCOCC4)cc3)CC2)c1 ZINC000152856271 1293987389 /nfs/dbraw/zinc/98/73/89/1293987389.db2.gz FWIFKDUGXDFOJM-UHFFFAOYSA-N 0 3 326.415 3.441 20 10 EGCDHN COC(=O)c1ccc(CN[C@H](C)c2cc(OC)ccc2O)c(F)c1 ZINC000182358426 1295038944 /nfs/dbraw/zinc/03/89/44/1295038944.db2.gz SKHPRCNYUZWILU-LLVKDONJSA-N 0 3 333.359 3.177 20 10 EGCDHN CC[C@@H](NC1CCN(c2ccc(OC)cc2)CC1)c1nccn1C ZINC000182764314 1295072207 /nfs/dbraw/zinc/07/22/07/1295072207.db2.gz OROSUVXOFTZONB-GOSISDBHSA-N 0 3 328.460 3.138 20 10 EGCDHN CC[C@@H](C[NH2+][C@H](C)c1cc(F)ccc1[O-])NC(=O)OC(C)(C)C ZINC000227721223 1296148035 /nfs/dbraw/zinc/14/80/35/1296148035.db2.gz AYIAQUAHELMFRB-YPMHNXCESA-N 0 3 326.412 3.485 20 10 EGCDHN O=C(CN[C@@H](CO)C1CC1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000254387618 1296470545 /nfs/dbraw/zinc/47/05/45/1296470545.db2.gz XNUWWYNMUVWLLR-SFHVURJKSA-N 0 3 338.411 3.401 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c1[O-] ZINC000275302789 1296713535 /nfs/dbraw/zinc/71/35/35/1296713535.db2.gz IHZYFIPPYDKMPX-IMJCEVDSSA-N 0 3 326.234 3.434 20 10 EGCDHN COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+][C@H](C)c2ccc(C)cc2[O-])c1 ZINC000872137158 1296762386 /nfs/dbraw/zinc/76/23/86/1296762386.db2.gz OFFKLDYMMRNHCT-ARGWCVDVSA-N 0 3 345.439 3.491 20 10 EGCDHN CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000715089429 1298276595 /nfs/dbraw/zinc/27/65/95/1298276595.db2.gz FXEYYJPDTHPBBQ-QEJZJMRPSA-N 0 3 332.444 3.272 20 10 EGCDHN [O-]c1ccccc1C[NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000725850322 1298376171 /nfs/dbraw/zinc/37/61/71/1298376171.db2.gz YZNMBZRFRGIVJA-HNNXBMFYSA-N 0 3 327.302 3.114 20 10 EGCDHN CC1(C)CN(Cc2ccc(N3CCC(O)CC3)cc2)[C@@H]1[C@H]1CCCO1 ZINC000877540083 1299382151 /nfs/dbraw/zinc/38/21/51/1299382151.db2.gz ROITUWQRUVHQCH-WOJBJXKFSA-N 0 3 344.499 3.037 20 10 EGCDHN C[C@@H]1C[C@@H](CCNC(=O)c2cc([O-])cs2)C[N@@H+]1Cc1ccccc1 ZINC000753831632 1300028083 /nfs/dbraw/zinc/02/80/83/1300028083.db2.gz VWYFKCSTXZKROY-GDBMZVCRSA-N 0 3 344.480 3.484 20 10 EGCDHN C[C@@H]1C[C@@H](CCNC(=O)c2cc([O-])cs2)C[N@H+]1Cc1ccccc1 ZINC000753831632 1300028095 /nfs/dbraw/zinc/02/80/95/1300028095.db2.gz VWYFKCSTXZKROY-GDBMZVCRSA-N 0 3 344.480 3.484 20 10 EGCDHN Cc1cc(CN[C@H]2CCCS(=O)(=O)C2)c(C)n1-c1cccc(C)c1 ZINC000754890340 1300240089 /nfs/dbraw/zinc/24/00/89/1300240089.db2.gz RDIDXWHNPPJGJC-SFHVURJKSA-N 0 3 346.496 3.069 20 10 EGCDHN COCC(C)(C)C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000755196740 1300297146 /nfs/dbraw/zinc/29/71/46/1300297146.db2.gz YBSQMYWPDFYQEU-INIZCTEOSA-N 0 3 340.895 3.272 20 10 EGCDHN CC[C@H]([NH2+]Cc1ccccc1[O-])[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000756047239 1300432211 /nfs/dbraw/zinc/43/22/11/1300432211.db2.gz QQTHNZNIKLQUFG-AZUAARDMSA-N 0 3 336.439 3.450 20 10 EGCDHN COc1ccc([C@H](O)C[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)cc1 ZINC000756381507 1300480812 /nfs/dbraw/zinc/48/08/12/1300480812.db2.gz MCLROTZAQHGGKR-XNJJOIOASA-N 0 3 331.387 3.411 20 10 EGCDHN Cc1ncc2c(n1)CC[C@H]([NH2+][C@H]1C[C@H](C)c3c1c([O-])ccc3F)C2 ZINC000756396986 1300482837 /nfs/dbraw/zinc/48/28/37/1300482837.db2.gz RDCYUGXDPFFIKQ-NKFCBESUSA-N 0 3 327.403 3.325 20 10 EGCDHN Cc1cccc(OC[C@H](O)C[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)c1 ZINC000756453656 1300495196 /nfs/dbraw/zinc/49/51/96/1300495196.db2.gz HQMOPNWVLHBDCA-CKEIUWERSA-N 0 3 345.414 3.418 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2c(C)cccc2C)c([O-])c1 ZINC000756457076 1300496516 /nfs/dbraw/zinc/49/65/16/1300496516.db2.gz GCSOWLMHRXGSEF-IAGOWNOFSA-N 0 3 329.440 3.408 20 10 EGCDHN C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cc(F)cc(F)c1[O-] ZINC000756482874 1300503110 /nfs/dbraw/zinc/50/31/10/1300503110.db2.gz JQEKBSHVIDJVAQ-MGPQQGTHSA-N 0 3 342.430 3.210 20 10 EGCDHN COc1cccc(N2CC[C@H]([NH2+][C@@H](C)c3cc(F)ccc3[O-])C2)c1 ZINC000756538700 1300516946 /nfs/dbraw/zinc/51/69/46/1300516946.db2.gz FABPPKXGVZXCCI-ZFWWWQNUSA-N 0 3 330.403 3.469 20 10 EGCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](CCN(C)C)C(C)(C)C)c1 ZINC000756587769 1300527126 /nfs/dbraw/zinc/52/71/26/1300527126.db2.gz CJNNCVKMAQFMHO-SUMWQHHRSA-N 0 3 336.476 3.196 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+]CCc2cccc(C(N)=O)c2)c2c1c(F)ccc2[O-] ZINC000756682475 1300547764 /nfs/dbraw/zinc/54/77/64/1300547764.db2.gz DMTNKCOMGHVEPL-IAQYHMDHSA-N 0 3 328.387 3.011 20 10 EGCDHN CC(C)[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)C(=O)N1CCCC1 ZINC000756707272 1300549604 /nfs/dbraw/zinc/54/96/04/1300549604.db2.gz XPMZTRGCWKYQHW-DFHBCGBQSA-N 0 3 334.435 3.316 20 10 EGCDHN C[C@@H]([NH2+]CCCS(=O)(=O)c1ccc(F)cc1)c1ccccc1[O-] ZINC000879648376 1300647502 /nfs/dbraw/zinc/64/75/02/1300647502.db2.gz LXNQXEDOMRXUIE-CYBMUJFWSA-N 0 3 337.416 3.046 20 10 EGCDHN Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000879649176 1300649281 /nfs/dbraw/zinc/64/92/81/1300649281.db2.gz KVZZSKWQHDYFQR-KGLIPLIRSA-N 0 3 335.831 3.445 20 10 EGCDHN CCOc1ccc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)c([O-])c1 ZINC000758521321 1300901428 /nfs/dbraw/zinc/90/14/28/1300901428.db2.gz CMVQNKMKUYFCOQ-ICSRJNTNSA-N 0 3 345.414 3.186 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+]C2CCN(c3cccnn3)CC2)c2c1c(F)ccc2[O-] ZINC000760048217 1301214147 /nfs/dbraw/zinc/21/41/47/1301214147.db2.gz RRTQIRYFJUTOTG-DOMZBBRYSA-N 0 3 342.418 3.128 20 10 EGCDHN CN(C)C1(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CCC1 ZINC000762964940 1301796061 /nfs/dbraw/zinc/79/60/61/1301796061.db2.gz UAWCZHURACGQON-UHFFFAOYSA-N 0 3 329.488 3.120 20 10 EGCDHN CC[C@H](NCC(=O)NCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000765381000 1302258628 /nfs/dbraw/zinc/25/86/28/1302258628.db2.gz IVOGOXJBVZKRDI-IBGZPJMESA-N 0 3 325.456 3.110 20 10 EGCDHN C[C@@H](NCc1cccc(CO)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765803293 1302332886 /nfs/dbraw/zinc/33/28/86/1302332886.db2.gz YLYYFKCMVSMKOL-OAHLLOKOSA-N 0 3 344.430 3.005 20 10 EGCDHN C[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)c1cccnc1Cl ZINC000883289210 1302368090 /nfs/dbraw/zinc/36/80/90/1302368090.db2.gz HNUVWUZAVCEEJJ-OAHLLOKOSA-N 0 3 344.890 3.338 20 10 EGCDHN C[C@@H](NCc1cnn(CC(F)(F)F)c1)c1ccc(N(C)C)cc1 ZINC000766609390 1302486217 /nfs/dbraw/zinc/48/62/17/1302486217.db2.gz YXGLAEJDXUTFDA-GFCCVEGCSA-N 0 3 326.366 3.362 20 10 EGCDHN CCOc1ccc(O)c(CN2CCN(CCc3ccccc3)CC2)c1 ZINC000768215353 1302856867 /nfs/dbraw/zinc/85/68/67/1302856867.db2.gz DOSSGEUCMAZYAC-UHFFFAOYSA-N 0 3 340.467 3.151 20 10 EGCDHN CCCCCNC(=O)C1CC[NH+](Cc2ccc(OCC)cc2[O-])CC1 ZINC000768311945 1302879642 /nfs/dbraw/zinc/87/96/42/1302879642.db2.gz LLNLNUIPOKPGOC-UHFFFAOYSA-N 0 3 348.487 3.309 20 10 EGCDHN COc1ccc(OC2CC[NH+](Cc3c([O-])cccc3OC)CC2)cc1 ZINC000768367549 1302888181 /nfs/dbraw/zinc/88/81/81/1302888181.db2.gz RVLAEYFQPCQGKP-UHFFFAOYSA-N 0 3 343.423 3.453 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+](Cc1cccc(F)c1)C1CC1)[C@@H](O)CO2 ZINC000768439291 1302901409 /nfs/dbraw/zinc/90/14/09/1302901409.db2.gz FIXPXRUELBUWIY-SFHVURJKSA-N 0 3 329.371 3.122 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+](Cc1cccc(F)c1)C1CC1)[C@@H](O)CO2 ZINC000768439291 1302901414 /nfs/dbraw/zinc/90/14/14/1302901414.db2.gz FIXPXRUELBUWIY-SFHVURJKSA-N 0 3 329.371 3.122 20 10 EGCDHN Oc1cc2c(cc1CN(Cc1cccc(F)c1)C1CC1)[C@@H](O)CO2 ZINC000768439291 1302901417 /nfs/dbraw/zinc/90/14/17/1302901417.db2.gz FIXPXRUELBUWIY-SFHVURJKSA-N 0 3 329.371 3.122 20 10 EGCDHN CC(C)N(Cc1ccccc1F)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768441159 1302903209 /nfs/dbraw/zinc/90/32/09/1302903209.db2.gz WKITXDACAJLSOW-GOSISDBHSA-N 0 3 331.387 3.368 20 10 EGCDHN CC(C)[N@H+](Cc1ccccc1F)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768441159 1302903219 /nfs/dbraw/zinc/90/32/19/1302903219.db2.gz WKITXDACAJLSOW-GOSISDBHSA-N 0 3 331.387 3.368 20 10 EGCDHN CC(C)[N@@H+](Cc1ccccc1F)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768441159 1302903224 /nfs/dbraw/zinc/90/32/24/1302903224.db2.gz WKITXDACAJLSOW-GOSISDBHSA-N 0 3 331.387 3.368 20 10 EGCDHN Cc1nc2c(s1)[C@H]([N@H+](C)Cc1cc3c(cc1[O-])OC[C@@H]3O)CCC2 ZINC000768449595 1302909737 /nfs/dbraw/zinc/90/97/37/1302909737.db2.gz WQCFROFOUFEJCE-ZBFHGGJFSA-N 0 3 346.452 3.092 20 10 EGCDHN Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1cc3c(cc1[O-])OC[C@@H]3O)CCC2 ZINC000768449595 1302909748 /nfs/dbraw/zinc/90/97/48/1302909748.db2.gz WQCFROFOUFEJCE-ZBFHGGJFSA-N 0 3 346.452 3.092 20 10 EGCDHN CCCNC(=O)[C@H]1CCCN(Cc2ccc(N(CC)CC)c(F)c2)C1 ZINC000769216260 1303075134 /nfs/dbraw/zinc/07/51/34/1303075134.db2.gz GUSFGXHDXTVDEL-KRWDZBQOSA-N 0 3 349.494 3.410 20 10 EGCDHN C[C@@H](N[C@@H](C)Cn1cccn1)c1ccc(N2CCOCC2)cc1Cl ZINC000772949475 1303597619 /nfs/dbraw/zinc/59/76/19/1303597619.db2.gz BLZPKEUWMHXHQJ-LSDHHAIUSA-N 0 3 348.878 3.112 20 10 EGCDHN C[C@H](N[C@H]1CCCN(CC(C)(C)C)C1=O)c1ccc(N(C)C)cc1 ZINC000774485957 1303816395 /nfs/dbraw/zinc/81/63/95/1303816395.db2.gz VFILSWPWXFXBON-YJBOKZPZSA-N 0 3 331.504 3.440 20 10 EGCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2ccc(C)c(F)c2)c1 ZINC000775376450 1303948346 /nfs/dbraw/zinc/94/83/46/1303948346.db2.gz XCIFYCRKDANMJZ-GFCCVEGCSA-N 0 3 332.375 3.138 20 10 EGCDHN CCN1C[C@H](CN(C)Cc2cc(OC)ccc2O)Oc2ccccc21 ZINC000775647669 1304004094 /nfs/dbraw/zinc/00/40/94/1304004094.db2.gz XUHDFIUBDPBFHG-KRWDZBQOSA-N 0 3 342.439 3.120 20 10 EGCDHN Cc1ccccc1CCNC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775834529 1304046267 /nfs/dbraw/zinc/04/62/67/1304046267.db2.gz URISLOWARBVJAW-KRWDZBQOSA-N 0 3 339.483 3.071 20 10 EGCDHN CCN(C(=O)CN[C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000775834313 1304047155 /nfs/dbraw/zinc/04/71/55/1304047155.db2.gz RBQCYKVNTYMXJT-INIZCTEOSA-N 0 3 325.456 3.456 20 10 EGCDHN COc1cc(Br)cc(C[NH2+][C@H](C)[C@H]2CCCOC2)c1[O-] ZINC000779985377 1304628718 /nfs/dbraw/zinc/62/87/18/1304628718.db2.gz COTPYSZUYWDOMD-MNOVXSKESA-N 0 3 344.249 3.068 20 10 EGCDHN CN(C)c1ccc([C@H](CNC(=O)c2cc(F)ccc2F)N(C)C)cc1 ZINC000891255282 1305001389 /nfs/dbraw/zinc/00/13/89/1305001389.db2.gz OIQDIELHJNJTHA-SFHVURJKSA-N 0 3 347.409 3.064 20 10 EGCDHN COc1ccc(CCC[N@H+](C)Cc2ccc(OC)c(OC)c2[O-])cc1 ZINC000891742905 1305154240 /nfs/dbraw/zinc/15/42/40/1305154240.db2.gz GOOBDRMADPUNRF-UHFFFAOYSA-N 0 3 345.439 3.483 20 10 EGCDHN COc1ccc(CCC[N@@H+](C)Cc2ccc(OC)c(OC)c2[O-])cc1 ZINC000891742905 1305154246 /nfs/dbraw/zinc/15/42/46/1305154246.db2.gz GOOBDRMADPUNRF-UHFFFAOYSA-N 0 3 345.439 3.483 20 10 EGCDHN COC[C@@H]1CN(Cc2cc(-c3ccccc3)ccc2O)C[C@@H](C)O1 ZINC000784666844 1305269411 /nfs/dbraw/zinc/26/94/11/1305269411.db2.gz AUUBZXJQASEWRN-BEFAXECRSA-N 0 3 327.424 3.295 20 10 EGCDHN COc1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)c(O)c1OC ZINC000892622201 1305475904 /nfs/dbraw/zinc/47/59/04/1305475904.db2.gz OHKYHMZYRQERMM-LLVKDONJSA-N 0 3 332.356 3.168 20 10 EGCDHN CCOc1ccc(O)c(CN2CCC[C@H](Oc3ncccc3F)C2)c1 ZINC000787291695 1305727742 /nfs/dbraw/zinc/72/77/42/1305727742.db2.gz VZPLXJVBARVLIY-INIZCTEOSA-N 0 3 346.402 3.368 20 10 EGCDHN CN(C)c1ccc(CNC[C@@H](O)c2ccco2)c(C(F)(F)F)c1 ZINC000792896208 1309252625 /nfs/dbraw/zinc/25/26/25/1309252625.db2.gz CJPDHKIRKRIEFU-CQSZACIVSA-N 0 3 328.334 3.188 20 10 EGCDHN CC(C)n1nccc1CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000792943826 1309267317 /nfs/dbraw/zinc/26/73/17/1309267317.db2.gz XBCFQMXRDAZGEB-INIZCTEOSA-N 0 3 328.460 3.151 20 10 EGCDHN OC[C@]1(C(F)(F)F)CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000895847309 1309557395 /nfs/dbraw/zinc/55/73/95/1309557395.db2.gz UFRXYXDFZBPFRJ-KRWDZBQOSA-N 0 3 342.405 3.424 20 10 EGCDHN Cn1cc(CNCc2ccc3c(c2)CCN3Cc2ccccc2)cn1 ZINC000796276234 1309949888 /nfs/dbraw/zinc/94/98/88/1309949888.db2.gz VFXKCNNPVDACJE-UHFFFAOYSA-N 0 3 332.451 3.273 20 10 EGCDHN O=C1NCCC2(CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)O1 ZINC000897018314 1310138941 /nfs/dbraw/zinc/13/89/41/1310138941.db2.gz JWIXJARNGNSSLH-UHFFFAOYSA-N 0 3 326.396 3.010 20 10 EGCDHN C[N@H+](CCCN1CCCC1)Cc1cccc(Br)c1[O-] ZINC000798957944 1310463911 /nfs/dbraw/zinc/46/39/11/1310463911.db2.gz KGNJLRQAEHWNGK-UHFFFAOYSA-N 0 3 327.266 3.072 20 10 EGCDHN C[N@@H+](CCCN1CCCC1)Cc1cccc(Br)c1[O-] ZINC000798957944 1310463915 /nfs/dbraw/zinc/46/39/15/1310463915.db2.gz KGNJLRQAEHWNGK-UHFFFAOYSA-N 0 3 327.266 3.072 20 10 EGCDHN Fc1cc(CN[C@H](c2ccncc2)C2CC2)ccc1N1CCOCC1 ZINC000898326287 1310677345 /nfs/dbraw/zinc/67/73/45/1310677345.db2.gz VHDCFKWYKHSEEW-FQEVSTJZSA-N 0 3 341.430 3.298 20 10 EGCDHN C[C@H](c1ccccc1)[C@H](CO)NCc1cc(F)c(N(C)C)cc1F ZINC000858139415 1328693719 /nfs/dbraw/zinc/69/37/19/1328693719.db2.gz UHCIRDFHTDQFAS-ACJLOTCBSA-N 0 3 334.410 3.285 20 10 EGCDHN CC[S@](=O)[C@@H]1CCC[C@H](NCc2cc(F)c(N(C)C)cc2F)C1 ZINC000858149117 1328696128 /nfs/dbraw/zinc/69/61/28/1328696128.db2.gz YGNZMQQQDLXIOD-UDFDBXRZSA-N 0 3 344.471 3.200 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)[C@@H](C)N2CCOCC2)c1[O-] ZINC000808690685 1317716719 /nfs/dbraw/zinc/71/67/19/1317716719.db2.gz BMWPOSRCIPBYFF-MELADBBJSA-N 0 3 326.868 3.114 20 10 EGCDHN COc1cccc([O-])c1C[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000809740502 1317886201 /nfs/dbraw/zinc/88/62/01/1317886201.db2.gz BCWNJSKIGSOVFZ-GFCCVEGCSA-N 0 3 326.396 3.136 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+][C@H](CO)C2CCCC2)c1[O-] ZINC000811518697 1318194037 /nfs/dbraw/zinc/19/40/37/1318194037.db2.gz OVYQHNDRMUICHK-CQSZACIVSA-N 0 3 328.250 3.104 20 10 EGCDHN CCc1ccc([C@H]2CC[N@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C2)cc1 ZINC000814224662 1318703162 /nfs/dbraw/zinc/70/31/62/1318703162.db2.gz LGEQPEXGVGRRFN-OXJNMPFZSA-N 0 3 339.435 3.370 20 10 EGCDHN CCc1ccc([C@H]2CC[N@@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C2)cc1 ZINC000814224662 1318703165 /nfs/dbraw/zinc/70/31/65/1318703165.db2.gz LGEQPEXGVGRRFN-OXJNMPFZSA-N 0 3 339.435 3.370 20 10 EGCDHN CCc1ccc([C@@H]2CC[N@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C2)cc1 ZINC000814224663 1318704515 /nfs/dbraw/zinc/70/45/15/1318704515.db2.gz LGEQPEXGVGRRFN-OXQOHEQNSA-N 0 3 339.435 3.370 20 10 EGCDHN CCc1ccc([C@@H]2CC[N@@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C2)cc1 ZINC000814224663 1318704521 /nfs/dbraw/zinc/70/45/21/1318704521.db2.gz LGEQPEXGVGRRFN-OXQOHEQNSA-N 0 3 339.435 3.370 20 10 EGCDHN C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccc(N2CCOC2=O)cc1 ZINC000816625553 1319197066 /nfs/dbraw/zinc/19/70/66/1319197066.db2.gz HNLKNTWRSABMIL-GFCCVEGCSA-N 0 3 330.359 3.339 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+]C[C@]2(O)CCC[C@H]2C)c1[O-] ZINC000816661344 1319203228 /nfs/dbraw/zinc/20/32/28/1319203228.db2.gz KQLHDJOGWPFDCW-IAQYHMDHSA-N 0 3 328.250 3.104 20 10 EGCDHN C[C@H]([NH2+]CCCNC1CC1)c1cc(Br)c(F)cc1[O-] ZINC000817984643 1319487005 /nfs/dbraw/zinc/48/70/05/1319487005.db2.gz WOCGMYVLQRWYRJ-VIFPVBQESA-N 0 3 331.229 3.087 20 10 EGCDHN C[C@@H]([NH2+]CCNC(=O)CCCc1ccccc1)c1cc(F)ccc1[O-] ZINC000818352709 1319533114 /nfs/dbraw/zinc/53/31/14/1319533114.db2.gz OKKMVPKOWWIMEM-OAHLLOKOSA-N 0 3 344.430 3.321 20 10 EGCDHN CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000824576362 1320266747 /nfs/dbraw/zinc/26/67/47/1320266747.db2.gz KPZDFIULZCMDTO-GOSISDBHSA-N 0 3 340.423 3.332 20 10 EGCDHN CN(C)C(=O)O[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000824576362 1320266750 /nfs/dbraw/zinc/26/67/50/1320266750.db2.gz KPZDFIULZCMDTO-GOSISDBHSA-N 0 3 340.423 3.332 20 10 EGCDHN CCOc1ccc(C[NH2+]C[C@@H](CC)NC(=O)OC(C)(C)C)c([O-])c1 ZINC000824660571 1320274829 /nfs/dbraw/zinc/27/48/29/1320274829.db2.gz GOHJLMTUSYCVED-CQSZACIVSA-N 0 3 338.448 3.184 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2COc3cc(F)ccc3C2)c1[O-] ZINC000827261151 1320438715 /nfs/dbraw/zinc/43/87/15/1320438715.db2.gz VWJOMQXVGASCHK-AWEZNQCLSA-N 0 3 337.778 3.287 20 10 EGCDHN CCOC[C@H]1CCCCN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000839170813 1320884062 /nfs/dbraw/zinc/88/40/62/1320884062.db2.gz TXKDLFCPTNMJTJ-QGZVFWFLSA-N 0 3 336.451 3.053 20 10 EGCDHN C[C@@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1ccccc1[O-] ZINC000840760077 1321142919 /nfs/dbraw/zinc/14/29/19/1321142919.db2.gz QZQRSIOXRQBOQA-CYBMUJFWSA-N 0 3 348.393 3.358 20 10 EGCDHN CC[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000840818634 1321155793 /nfs/dbraw/zinc/15/57/93/1321155793.db2.gz SLOLFWAWDCJYHM-VHSSKADRSA-N 0 3 338.879 3.395 20 10 EGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCC(C)(C)S(C)(=O)=O)c1[O-] ZINC000840875059 1321167402 /nfs/dbraw/zinc/16/74/02/1321167402.db2.gz CDCPQXCNKXBGHZ-LLVKDONJSA-N 0 3 333.881 3.218 20 10 EGCDHN C[C@@H]1[C@H](CO)CCCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000840976566 1321192550 /nfs/dbraw/zinc/19/25/50/1321192550.db2.gz DKPMSUSOYKZHHA-WBVHZDCISA-N 0 3 347.459 3.178 20 10 EGCDHN Cc1cc(N(C)C)ccc1C[C@@H](C)NCc1ncc(CN(C)C)s1 ZINC000840975898 1321192748 /nfs/dbraw/zinc/19/27/48/1321192748.db2.gz MCTIVDHSKNQNAS-OAHLLOKOSA-N 0 3 346.544 3.300 20 10 EGCDHN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2CCNC3(CCC3)C2)c1 ZINC000841089409 1321216676 /nfs/dbraw/zinc/21/66/76/1321216676.db2.gz MSZDZGHPQDSKJN-CYBMUJFWSA-N 0 3 339.277 3.227 20 10 EGCDHN C[C@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1ccc(Cl)cc1[O-] ZINC000841751270 1321306489 /nfs/dbraw/zinc/30/64/89/1321306489.db2.gz HAFZDWKJOHJUID-KGLIPLIRSA-N 0 3 326.868 3.197 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC2(N(C)C)CC2)c1[O-] ZINC000841762737 1321308461 /nfs/dbraw/zinc/30/84/61/1321308461.db2.gz KOHRFAQCMNCTJD-NSHDSACASA-N 0 3 327.266 3.208 20 10 EGCDHN COc1cc(Br)cc(C[NH2+][C@H]2CCS[C@@H]2C)c1[O-] ZINC000842778038 1321431244 /nfs/dbraw/zinc/43/12/44/1321431244.db2.gz DJZATBKUICSGHQ-KCJUWKMLSA-N 0 3 332.263 3.147 20 10 EGCDHN C[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1ccc(N2CCNC2=O)cc1 ZINC000842900533 1321447875 /nfs/dbraw/zinc/44/78/75/1321447875.db2.gz IBXZAODRKVXCOW-SUMWQHHRSA-N 0 3 337.423 3.260 20 10 EGCDHN COc1cccc([O-])c1C[NH2+][C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000843416692 1321514153 /nfs/dbraw/zinc/51/41/53/1321514153.db2.gz KNYGJCZJDCWVJP-STQMWFEESA-N 0 3 338.448 3.182 20 10 EGCDHN CCN(Cc1ccccc1)C(=O)CN[C@H](C)c1cccc(OC)c1O ZINC000846141427 1321770771 /nfs/dbraw/zinc/77/07/71/1321770771.db2.gz INKROXOMFXNMKV-OAHLLOKOSA-N 0 3 342.439 3.100 20 10 EGCDHN COc1cccc([C@H](C)NCc2cnn(CC(F)(F)F)c2)c1O ZINC000846144454 1321771231 /nfs/dbraw/zinc/77/12/31/1321771231.db2.gz DPOGIBMBZDCOCY-JTQLQIEISA-N 0 3 329.322 3.010 20 10 EGCDHN COc1cccc2c1OCC[C@H]2NCc1cc(OC)c(OC)cc1O ZINC000848927204 1322047019 /nfs/dbraw/zinc/04/70/19/1322047019.db2.gz BUKSIWJZOPQOEQ-CQSZACIVSA-N 0 3 345.395 3.031 20 10 EGCDHN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H](C)N1CCCC1 ZINC000920445092 1322178464 /nfs/dbraw/zinc/17/84/64/1322178464.db2.gz SAKIOUZDHMMCMC-OAHLLOKOSA-N 0 3 331.485 3.370 20 10 EGCDHN COc1cc(CNCc2ccnc(OC)c2)c(O)c(C(C)(C)C)c1 ZINC000850025261 1322183743 /nfs/dbraw/zinc/18/37/43/1322183743.db2.gz YIKQYMIEBJURKU-UHFFFAOYSA-N 0 3 330.428 3.392 20 10 EGCDHN COc1cccc(CNC[C@@H](OC2CCCC2)C(F)(F)F)c1O ZINC000850355084 1322232489 /nfs/dbraw/zinc/23/24/89/1322232489.db2.gz DDYOCOLMKWLJJJ-CQSZACIVSA-N 0 3 333.350 3.381 20 10 EGCDHN COc1cccc([C@H](C)NCc2cccnc2N2CCCC2)c1O ZINC000850500106 1322257893 /nfs/dbraw/zinc/25/78/93/1322257893.db2.gz CYNDDFSVGGXSBH-AWEZNQCLSA-N 0 3 327.428 3.247 20 10 EGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C2CCN([C@@H]3CCOC3)CC2)c1[O-] ZINC000850558089 1322267588 /nfs/dbraw/zinc/26/75/88/1322267588.db2.gz PUBYWGSVDQGONZ-CZUORRHYSA-N 0 3 338.879 3.258 20 10 EGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C2CCN([C@H]3CCOC3)CC2)c1[O-] ZINC000850558085 1322267646 /nfs/dbraw/zinc/26/76/46/1322267646.db2.gz PUBYWGSVDQGONZ-CJNGLKHVSA-N 0 3 338.879 3.258 20 10 EGCDHN CC(C)c1ccc2c(c1)CN(Cc1cc3c(cc1O)OC[C@@H]3O)CC2 ZINC000853533595 1325117533 /nfs/dbraw/zinc/11/75/33/1325117533.db2.gz JVPIKILORSEHDY-FQEVSTJZSA-N 0 3 339.435 3.500 20 10 EGCDHN CC(C)c1ccc2c(c1)C[N@@H+](Cc1cc3c(cc1[O-])OC[C@@H]3O)CC2 ZINC000853533595 1325117539 /nfs/dbraw/zinc/11/75/39/1325117539.db2.gz JVPIKILORSEHDY-FQEVSTJZSA-N 0 3 339.435 3.500 20 10 EGCDHN CC(C)c1ccc2c(c1)C[N@H+](Cc1cc3c(cc1[O-])OC[C@@H]3O)CC2 ZINC000853533595 1325117544 /nfs/dbraw/zinc/11/75/44/1325117544.db2.gz JVPIKILORSEHDY-FQEVSTJZSA-N 0 3 339.435 3.500 20 10 EGCDHN C[C@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@@H]1CO ZINC000857062313 1325565708 /nfs/dbraw/zinc/56/57/08/1325565708.db2.gz ZYUMTBGGUBNBKS-DOTOQJQBSA-N 0 3 347.459 3.035 20 10 EGCDHN C[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])[C@H](O)C(F)(F)F ZINC000865712279 1329731589 /nfs/dbraw/zinc/73/15/89/1329731589.db2.gz YUJMVSWEGSCADJ-BZNIZROVSA-N 0 3 325.330 3.461 20 10 EGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](n2cncn2)C(F)(F)F)c1[O-] ZINC000866435679 1330111982 /nfs/dbraw/zinc/11/19/82/1330111982.db2.gz CTURSHOYAGCMIT-SKDRFNHKSA-N 0 3 348.756 3.400 20 10 EGCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)cc1Br ZINC001237676223 1376982400 /nfs/dbraw/zinc/98/24/00/1376982400.db2.gz HHIIGGQZMJDWHD-BLLLJJGKSA-N 0 3 340.261 3.464 20 10 EGCDHN Cc1cc([O-])c(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)cc1Br ZINC001237676223 1376982412 /nfs/dbraw/zinc/98/24/12/1376982412.db2.gz HHIIGGQZMJDWHD-BLLLJJGKSA-N 0 3 340.261 3.464 20 10 EGCDHN COCn1ncc(C)c1CNCc1ccc(N2CCC(C)CC2)cc1 ZINC001324704688 1387743611 /nfs/dbraw/zinc/74/36/11/1387743611.db2.gz QUSGGXNCLMWZLT-UHFFFAOYSA-N 0 3 342.487 3.322 20 10 EGCDHN O=C(NC1CC[NH+](Cc2ccccc2[O-])CC1)NC1CCCCCC1 ZINC001191284802 1367467280 /nfs/dbraw/zinc/46/72/80/1367467280.db2.gz FDOLHROEDSTDJJ-UHFFFAOYSA-N 0 3 345.487 3.379 20 10 EGCDHN O=C(c1ccccc1)N1CCC[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC001325316445 1387932343 /nfs/dbraw/zinc/93/23/43/1387932343.db2.gz TXBSNCYPZZZVTI-QZTJIDSGSA-N 0 3 336.435 3.274 20 10 EGCDHN CN1C(=O)C2(CC[NH+](Cc3ccccc3[O-])CC2)[C@@H]1c1ccccc1 ZINC001203552185 1370167105 /nfs/dbraw/zinc/16/71/05/1370167105.db2.gz DHVHRSXWSZTGNK-IBGZPJMESA-N 0 3 336.435 3.188 20 10 EGCDHN [O-]c1ccccc1C[N@@H+]1CC[C@H](OCC2CC2)[C@@H]1Cc1cccnc1 ZINC001203551299 1370167132 /nfs/dbraw/zinc/16/71/32/1370167132.db2.gz BBFVZXDLXAWSJP-FPOVZHCZSA-N 0 3 338.451 3.399 20 10 EGCDHN [O-]c1ccccc1C[N@H+]1CC[C@H](OCC2CC2)[C@@H]1Cc1cccnc1 ZINC001203551299 1370167135 /nfs/dbraw/zinc/16/71/35/1370167135.db2.gz BBFVZXDLXAWSJP-FPOVZHCZSA-N 0 3 338.451 3.399 20 10 EGCDHN O=C1N(c2ccsc2)CC[C@@]12CCC[N@@H+](Cc1ccccc1[O-])C2 ZINC001203552961 1370167580 /nfs/dbraw/zinc/16/75/80/1370167580.db2.gz WZZOKDAMDDPHCU-LJQANCHMSA-N 0 3 342.464 3.473 20 10 EGCDHN O=C1N(c2ccsc2)CC[C@@]12CCC[N@H+](Cc1ccccc1[O-])C2 ZINC001203552961 1370167582 /nfs/dbraw/zinc/16/75/82/1370167582.db2.gz WZZOKDAMDDPHCU-LJQANCHMSA-N 0 3 342.464 3.473 20 10 EGCDHN [O-]c1ccccc1C[N@@H+]1CCc2ncnc(-c3ccccc3)c2CC1 ZINC001203552754 1370167875 /nfs/dbraw/zinc/16/78/75/1370167875.db2.gz SCQLCGHEJSROAU-UHFFFAOYSA-N 0 3 331.419 3.450 20 10 EGCDHN [O-]c1ccccc1C[N@H+]1CCc2ncnc(-c3ccccc3)c2CC1 ZINC001203552754 1370167879 /nfs/dbraw/zinc/16/78/79/1370167879.db2.gz SCQLCGHEJSROAU-UHFFFAOYSA-N 0 3 331.419 3.450 20 10 EGCDHN COc1cccc(CN2CCC(Oc3ncccc3C)CC2)c1O ZINC001203602042 1370184031 /nfs/dbraw/zinc/18/40/31/1370184031.db2.gz YFOCIOVCSCOPBD-UHFFFAOYSA-N 0 3 328.412 3.148 20 10 EGCDHN COc1ccc(CN2CCN(c3ccc(C)c(C)c3)CC2)c(O)c1 ZINC001203617115 1370189302 /nfs/dbraw/zinc/18/93/02/1370189302.db2.gz HRXREXFTADZTTA-UHFFFAOYSA-N 0 3 326.440 3.340 20 10 EGCDHN COc1ccc(CN2CCN(c3nccc4ccccc43)CC2)c(O)c1 ZINC001203627808 1370192396 /nfs/dbraw/zinc/19/23/96/1370192396.db2.gz QALKNCJKNIOQJJ-UHFFFAOYSA-N 0 3 349.434 3.271 20 10 EGCDHN CC(C)(C)OC(=O)N1CC[C@@]2(CCC[N@@H+]2Cc2ccc(O)cc2[O-])C1 ZINC001204276009 1370429321 /nfs/dbraw/zinc/42/93/21/1370429321.db2.gz DLHZWVOSYUZYHR-IBGZPJMESA-N 0 3 348.443 3.073 20 10 EGCDHN CC(C)(C)OC(=O)N1CC[C@@]2(CCC[N@H+]2Cc2ccc(O)cc2[O-])C1 ZINC001204276009 1370429322 /nfs/dbraw/zinc/42/93/22/1370429322.db2.gz DLHZWVOSYUZYHR-IBGZPJMESA-N 0 3 348.443 3.073 20 10 EGCDHN O=C(N[C@@H]1CCCN(Cc2ccc(N3CCCC3)cc2)C1)C1CCC1 ZINC001204329211 1370445758 /nfs/dbraw/zinc/44/57/58/1370445758.db2.gz HFKFUWHEBMMHLS-LJQANCHMSA-N 0 3 341.499 3.168 20 10 EGCDHN COc1ccccc1[C@H]1CCN(Cc2cc(O)c(O)c(OC)c2)C1 ZINC001204344094 1370448841 /nfs/dbraw/zinc/44/88/41/1370448841.db2.gz UZOXIOHKVCITLZ-AWEZNQCLSA-N 0 3 329.396 3.105 20 10 EGCDHN O=C1Nc2ccccc2CC[C@H]1NCc1ccc(N2CCCC2)cc1 ZINC001326846417 1388329059 /nfs/dbraw/zinc/32/90/59/1388329059.db2.gz LBKLOESSAHFAIK-HXUWFJFHSA-N 0 3 335.451 3.330 20 10 EGCDHN COc1ccc(Br)c(CN2CC[C@@H](OC)C[C@@H]2C)c1O ZINC001231556157 1376264045 /nfs/dbraw/zinc/26/40/45/1376264045.db2.gz YIZDKZYHTFQOOB-WDEREUQCSA-N 0 3 344.249 3.163 20 10 EGCDHN COc1ccc(Br)c(C[N@H+]2CC[C@@H](OC)C[C@@H]2C)c1[O-] ZINC001231556157 1376264056 /nfs/dbraw/zinc/26/40/56/1376264056.db2.gz YIZDKZYHTFQOOB-WDEREUQCSA-N 0 3 344.249 3.163 20 10 EGCDHN COc1ccc(Br)c(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C)c1[O-] ZINC001231556157 1376264073 /nfs/dbraw/zinc/26/40/73/1376264073.db2.gz YIZDKZYHTFQOOB-WDEREUQCSA-N 0 3 344.249 3.163 20 10 EGCDHN C[C@H]1C[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C[C@@H]1O ZINC001233194549 1376583158 /nfs/dbraw/zinc/58/31/58/1376583158.db2.gz XKLLRQWWFMYUPK-QFYYESIMSA-N 0 3 336.229 3.121 20 10 EGCDHN C[C@H]1C[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C[C@@H]1O ZINC001233194549 1376583164 /nfs/dbraw/zinc/58/31/64/1376583164.db2.gz XKLLRQWWFMYUPK-QFYYESIMSA-N 0 3 336.229 3.121 20 10 EGCDHN COCC1C[NH+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC001233194604 1376584099 /nfs/dbraw/zinc/58/40/99/1376584099.db2.gz ZIBULNWUWPJQLY-UHFFFAOYSA-N 0 3 336.229 3.386 20 10 EGCDHN COc1cc(Cl)cc(CN2CC[C@H](Oc3cccc(C)n3)C2)c1O ZINC001233290913 1376605739 /nfs/dbraw/zinc/60/57/39/1376605739.db2.gz CTLINSBQZIIGNW-HNNXBMFYSA-N 0 3 348.830 3.411 20 10 EGCDHN CCCCCN1CCN(Cc2cc(Cl)cc(OC)c2O)CC1 ZINC001233289727 1376606579 /nfs/dbraw/zinc/60/65/79/1376606579.db2.gz KNZRVCJBSXRISW-UHFFFAOYSA-N 0 3 326.868 3.362 20 10 EGCDHN CN(Cc1cccc(C(F)(F)F)c1)Cc1cc(O)c(O)cc1O ZINC001233486028 1376652388 /nfs/dbraw/zinc/65/23/88/1376652388.db2.gz VFYGRBRMVWGHKK-UHFFFAOYSA-N 0 3 327.302 3.454 20 10 EGCDHN COc1ccc(C2=CCN(Cc3cc(O)c(O)cc3O)CC2)cc1 ZINC001233487059 1376652545 /nfs/dbraw/zinc/65/25/45/1376652545.db2.gz NTWNDDVNEDFZJQ-UHFFFAOYSA-N 0 3 327.380 3.101 20 10 EGCDHN C[C@]1(CO)CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])CC1 ZINC001237053721 1376971445 /nfs/dbraw/zinc/97/14/45/1376971445.db2.gz OTAMAGKKPDJCFK-INIZCTEOSA-N 0 3 347.377 3.318 20 10 EGCDHN C[C@]1(CO)CCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])CC1 ZINC001237053721 1376971449 /nfs/dbraw/zinc/97/14/49/1376971449.db2.gz OTAMAGKKPDJCFK-INIZCTEOSA-N 0 3 347.377 3.318 20 10 EGCDHN CC(C)(O)[C@H]1CCC[N@@H+]1Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237058910 1376973909 /nfs/dbraw/zinc/97/39/09/1376973909.db2.gz LQBDGBBRWUSHHV-CQSZACIVSA-N 0 3 333.350 3.069 20 10 EGCDHN CC(C)(O)[C@H]1CCC[N@H+]1Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237058910 1376973917 /nfs/dbraw/zinc/97/39/17/1376973917.db2.gz LQBDGBBRWUSHHV-CQSZACIVSA-N 0 3 333.350 3.069 20 10 EGCDHN COC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])C1 ZINC001237141399 1376976026 /nfs/dbraw/zinc/97/60/26/1376976026.db2.gz WMPHQPDOPNKLTE-MNOVXSKESA-N 0 3 331.334 3.185 20 10 EGCDHN COC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])C1 ZINC001237141399 1376976031 /nfs/dbraw/zinc/97/60/31/1376976031.db2.gz WMPHQPDOPNKLTE-MNOVXSKESA-N 0 3 331.334 3.185 20 10 EGCDHN COC(=O)[C@H]1CC[C@@H](C)N(Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237141399 1376976035 /nfs/dbraw/zinc/97/60/35/1376976035.db2.gz WMPHQPDOPNKLTE-MNOVXSKESA-N 0 3 331.334 3.185 20 10 EGCDHN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(Cc2cc(F)ccc2O)C1 ZINC001140056175 1377996973 /nfs/dbraw/zinc/99/69/73/1377996973.db2.gz KQCNJHOBCDBLSW-IUODEOHRSA-N 0 3 338.423 3.266 20 10 EGCDHN COC1CC[NH+](C2CCN(Cc3ccc(Cl)cc3[O-])CC2)CC1 ZINC001140464148 1378066405 /nfs/dbraw/zinc/06/64/05/1378066405.db2.gz DMGQALSBSLBHIU-UHFFFAOYSA-N 0 3 338.879 3.121 20 10 EGCDHN CC(C)=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001273285314 1378094756 /nfs/dbraw/zinc/09/47/56/1378094756.db2.gz QGEOKKZYRYEIPS-KRWDZBQOSA-N 0 3 346.446 3.216 20 10 EGCDHN CC(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)ccc1[O-] ZINC001273284355 1378094921 /nfs/dbraw/zinc/09/49/21/1378094921.db2.gz GPYGDEJXMXVPJN-IBGZPJMESA-N 0 3 334.435 3.144 20 10 EGCDHN CC(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(F)ccc1[O-] ZINC001273284355 1378094924 /nfs/dbraw/zinc/09/49/24/1378094924.db2.gz GPYGDEJXMXVPJN-IBGZPJMESA-N 0 3 334.435 3.144 20 10 EGCDHN CCN1CC2(CC1=O)CCN(Cc1ccc(N(C)C)cc1Cl)CC2 ZINC001140926819 1378183021 /nfs/dbraw/zinc/18/30/21/1378183021.db2.gz WKTOYAYWIYCUIJ-UHFFFAOYSA-N 0 3 349.906 3.240 20 10 EGCDHN COC(=O)[C@@H]1C[N@H+](Cc2ccc(C)cc2[O-])C[C@H]1c1ccccc1 ZINC001140954489 1378191778 /nfs/dbraw/zinc/19/17/78/1378191778.db2.gz UIEYJVHZLYVMFA-ZWKOTPCHSA-N 0 3 325.408 3.089 20 10 EGCDHN COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C)cc2[O-])C[C@H]1c1ccccc1 ZINC001140954489 1378191783 /nfs/dbraw/zinc/19/17/83/1378191783.db2.gz UIEYJVHZLYVMFA-ZWKOTPCHSA-N 0 3 325.408 3.089 20 10 EGCDHN CC(=O)C1(c2ccccc2)CCN(Cc2cc(O)ccc2O)CC1 ZINC001141160176 1378254237 /nfs/dbraw/zinc/25/42/37/1378254237.db2.gz SEVZZEAUHPKLQX-UHFFFAOYSA-N 0 3 325.408 3.221 20 10 EGCDHN COCCCN1CCC([NH2+]Cc2cc3ccccc3cc2[O-])CC1 ZINC001172247075 1384755548 /nfs/dbraw/zinc/75/55/48/1384755548.db2.gz CIESMHHKLKJMQV-UHFFFAOYSA-N 0 3 328.456 3.136 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCN(c3cnn(C)c3)C2)c1[O-] ZINC001329511445 1389136530 /nfs/dbraw/zinc/13/65/30/1389136530.db2.gz FSYFIMVZAJCQCB-JSGCOSHPSA-N 0 3 334.851 3.017 20 10 EGCDHN COc1cccc(CN(Cc2ccc(N)cc2)C[C@@H]2CCCO2)c1 ZINC001352787107 1391848999 /nfs/dbraw/zinc/84/89/99/1391848999.db2.gz CQEHJNLBQQFZHZ-FQEVSTJZSA-N 0 3 326.440 3.459 20 10 EGCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)c1cccc(Br)c1 ZINC000264595466 455244370 /nfs/dbraw/zinc/24/43/70/455244370.db2.gz HYBXFGGMTQAQOH-MRXNPFEDSA-N 0 3 336.229 3.320 20 10 EGCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)c1cccc(Br)c1 ZINC000264595466 455244373 /nfs/dbraw/zinc/24/43/73/455244373.db2.gz HYBXFGGMTQAQOH-MRXNPFEDSA-N 0 3 336.229 3.320 20 10 EGCDHN CCN1CCN(c2cccc(NC(=O)c3ccc(OC)cc3)c2)CC1 ZINC000184259812 455366861 /nfs/dbraw/zinc/36/68/61/455366861.db2.gz FVIDRPILEODLII-UHFFFAOYSA-N 0 3 339.439 3.089 20 10 EGCDHN CCOc1cccc(C[NH2+]CCc2ccc(OC)c(OC)c2)c1[O-] ZINC000058679964 454225388 /nfs/dbraw/zinc/22/53/88/454225388.db2.gz IAHOOLGGPNLQHY-UHFFFAOYSA-N 0 3 331.412 3.140 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]C[C@](C)(O)c2cccs2)c1[O-] ZINC000184708886 455433643 /nfs/dbraw/zinc/43/36/43/455433643.db2.gz KVOLEWNGSCPIMH-HNNXBMFYSA-N 0 3 327.833 3.113 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](c2cccc(F)c2)N(C)C)c1 ZINC000184835033 455456642 /nfs/dbraw/zinc/45/66/42/455456642.db2.gz OSDZXUGVILEPCU-FZKQIMNGSA-N 0 3 332.419 3.493 20 10 EGCDHN Cc1cc([O-])c(C[N@H+](C)C[C@@H](O)COCc2ccccc2)cc1C ZINC000092472248 454571311 /nfs/dbraw/zinc/57/13/11/454571311.db2.gz QFQZKPJCCOTPQT-LJQANCHMSA-N 0 3 329.440 3.019 20 10 EGCDHN Cc1cc([O-])c(C[N@@H+](C)C[C@@H](O)COCc2ccccc2)cc1C ZINC000092472248 454571317 /nfs/dbraw/zinc/57/13/17/454571317.db2.gz QFQZKPJCCOTPQT-LJQANCHMSA-N 0 3 329.440 3.019 20 10 EGCDHN COc1cccc(C[N@@H+]2CC[C@H](COCc3ccccc3)C2)c1[O-] ZINC000093684162 454729268 /nfs/dbraw/zinc/72/92/68/454729268.db2.gz KZUQXKGUARYQSA-KRWDZBQOSA-N 0 3 327.424 3.440 20 10 EGCDHN COc1cccc(C[N@H+]2CC[C@H](COCc3ccccc3)C2)c1[O-] ZINC000093684162 454729272 /nfs/dbraw/zinc/72/92/72/454729272.db2.gz KZUQXKGUARYQSA-KRWDZBQOSA-N 0 3 327.424 3.440 20 10 EGCDHN COc1cccc(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)c1[O-] ZINC000124608758 454752751 /nfs/dbraw/zinc/75/27/51/454752751.db2.gz JGERFFYRQNXDGJ-IBGZPJMESA-N 0 3 327.424 3.346 20 10 EGCDHN [O-]c1ccccc1C[N@H+](CCCCCn1cccn1)C[C@@H]1CCCO1 ZINC000109761977 454835653 /nfs/dbraw/zinc/83/56/53/454835653.db2.gz MWYPPJUAGXWRCH-IBGZPJMESA-N 0 3 343.471 3.440 20 10 EGCDHN [O-]c1ccccc1C[N@@H+](CCCCCn1cccn1)C[C@@H]1CCCO1 ZINC000109761977 454835657 /nfs/dbraw/zinc/83/56/57/454835657.db2.gz MWYPPJUAGXWRCH-IBGZPJMESA-N 0 3 343.471 3.440 20 10 EGCDHN CC[C@@H](COC)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000163413676 454845734 /nfs/dbraw/zinc/84/57/34/454845734.db2.gz JAGMTDFPRHGPFF-AWEZNQCLSA-N 0 3 346.393 3.057 20 10 EGCDHN CCCOc1ccc(CN[C@H](C[S@@](C)=O)c2ccccc2)c(O)c1 ZINC000154716491 454922765 /nfs/dbraw/zinc/92/27/65/454922765.db2.gz QFMLLRFAIKNOSB-KOSHJBKYSA-N 0 3 347.480 3.390 20 10 EGCDHN CCN(CC)c1ccc(CNC(=O)C[C@@H](N)c2ccccc2)cc1 ZINC000178817608 454981039 /nfs/dbraw/zinc/98/10/39/454981039.db2.gz JUEDQLBAVUHPGD-LJQANCHMSA-N 0 3 325.456 3.239 20 10 EGCDHN COc1cc(O)c(CN2CC=C(c3ccc(O)cc3)CC2)cc1OC ZINC000179434622 455047800 /nfs/dbraw/zinc/04/78/00/455047800.db2.gz HORHBMURXQMOSA-UHFFFAOYSA-N 0 3 341.407 3.404 20 10 EGCDHN CCN(CC)c1ccc(CNC(=O)N(C)CC2CCN(C)CC2)cc1 ZINC000171742221 455090944 /nfs/dbraw/zinc/09/09/44/455090944.db2.gz BZQYMRXETADQIY-UHFFFAOYSA-N 0 3 346.519 3.016 20 10 EGCDHN CC[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1ccccc1[O-] ZINC000156235744 455096255 /nfs/dbraw/zinc/09/62/55/455096255.db2.gz LIQLMZFCNPPAEO-QGZVFWFLSA-N 0 3 333.453 3.178 20 10 EGCDHN CCN(C[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1)CC(F)(F)F ZINC000180225599 455149835 /nfs/dbraw/zinc/14/98/35/455149835.db2.gz DOQQUBQKCIRMHT-LBPRGKRZSA-N 0 3 334.357 3.237 20 10 EGCDHN CCN(C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1)CC(F)(F)F ZINC000180225599 455149836 /nfs/dbraw/zinc/14/98/36/455149836.db2.gz DOQQUBQKCIRMHT-LBPRGKRZSA-N 0 3 334.357 3.237 20 10 EGCDHN CCOc1ccc([O-])c(C[NH2+]CC2CCN(CC(F)(F)F)CC2)c1 ZINC000189468241 455201467 /nfs/dbraw/zinc/20/14/67/455201467.db2.gz LPFOQUFRQLQLDV-UHFFFAOYSA-N 0 3 346.393 3.155 20 10 EGCDHN Cc1cc(C(=O)N(C)CC2(N(C)C)CCC2)c(C)n1-c1ccccn1 ZINC000189527485 455214415 /nfs/dbraw/zinc/21/44/15/455214415.db2.gz USZJEAHOLLTCMF-UHFFFAOYSA-N 0 3 340.471 3.045 20 10 EGCDHN Cc1cncc([C@H](C)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000184286581 455369056 /nfs/dbraw/zinc/36/90/56/455369056.db2.gz OELNHYPVCOUAKK-HNNXBMFYSA-N 0 3 329.419 3.217 20 10 EGCDHN Cc1cc([O-])c(C[NH2+]CCc2nc3c(cccc3F)n2C)cc1C ZINC000174392156 455386232 /nfs/dbraw/zinc/38/62/32/455386232.db2.gz RJYWXHUEPAQQSN-UHFFFAOYSA-N 0 3 327.403 3.367 20 10 EGCDHN COc1ccc([O-])c(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)c1 ZINC000182207270 455460568 /nfs/dbraw/zinc/46/05/68/455460568.db2.gz SACQKDLRODXTGQ-UHFFFAOYSA-N 0 3 331.387 3.335 20 10 EGCDHN CCNC(=O)c1ccc(CN[C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000185027500 455487524 /nfs/dbraw/zinc/48/75/24/455487524.db2.gz OPVCHDGLPONSJI-ZDUSSCGKSA-N 0 3 328.412 3.001 20 10 EGCDHN CCNC(=O)c1ccc(C[NH2+][C@@H](C)c2cc(OC)ccc2[O-])cc1 ZINC000185027500 455487530 /nfs/dbraw/zinc/48/75/30/455487530.db2.gz OPVCHDGLPONSJI-ZDUSSCGKSA-N 0 3 328.412 3.001 20 10 EGCDHN CC[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1ccccc1[O-] ZINC000185206378 455521876 /nfs/dbraw/zinc/52/18/76/455521876.db2.gz QULXLQUKXKDCKK-FQEVSTJZSA-N 0 3 340.467 3.465 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCCN(C)C(=O)OC(C)(C)C)c1 ZINC000185342143 455543999 /nfs/dbraw/zinc/54/39/99/455543999.db2.gz HKYKEKQYEWOSMG-CYBMUJFWSA-N 0 3 338.448 3.308 20 10 EGCDHN COc1cc(OC)cc([C@H](O)C[NH2+][C@H](C)c2cc(C)ccc2[O-])c1 ZINC000185486848 455565246 /nfs/dbraw/zinc/56/52/46/455565246.db2.gz PBOVOMAYSGGVQH-BFUOFWGJSA-N 0 3 331.412 3.102 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]CCc2cccc(C(=O)N(C)C)c2)c([O-])c1 ZINC000185547463 455576421 /nfs/dbraw/zinc/57/64/21/455576421.db2.gz JYXJYUYPWBQKSK-HNNXBMFYSA-N 0 3 326.440 3.296 20 10 EGCDHN CCCOc1ccc(C[NH2+][C@@H]2C[C@H](OCC)C23CCOCC3)c([O-])c1 ZINC000185656165 455590374 /nfs/dbraw/zinc/59/03/74/455590374.db2.gz CWQXHLHDHPKUMP-MOPGFXCFSA-N 0 3 349.471 3.245 20 10 EGCDHN C[NH+](C)[C@H]1CCCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000277593718 455609680 /nfs/dbraw/zinc/60/96/80/455609680.db2.gz VDWBKTHQESJISM-AWEZNQCLSA-N 0 3 327.266 3.071 20 10 EGCDHN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000292422802 455659697 /nfs/dbraw/zinc/65/96/97/455659697.db2.gz CCEJUZOTRSJCHQ-LJQANCHMSA-N 0 3 343.496 3.323 20 10 EGCDHN C[C@@H](CC[NH2+][C@@H](C)c1cc(F)ccc1[O-])NC(=O)OC(C)(C)C ZINC000185980144 455667713 /nfs/dbraw/zinc/66/77/13/455667713.db2.gz TVMSHKJVCVKWLR-RYUDHWBXSA-N 0 3 326.412 3.485 20 10 EGCDHN C[C@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1=O)c1cc(F)ccc1[O-] ZINC000186195731 455713880 /nfs/dbraw/zinc/71/38/80/455713880.db2.gz BCUHCCKBCSYHBX-KSSFIOAISA-N 0 3 342.414 3.373 20 10 EGCDHN CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1cccc(O)c1[O-] ZINC000193133500 455744074 /nfs/dbraw/zinc/74/40/74/455744074.db2.gz QWISBCQCNCJLIF-UHFFFAOYSA-N 0 3 348.468 3.144 20 10 EGCDHN COc1ccc([C@@H](OC)[C@H](C)[NH2+]Cc2cc(OC)ccc2[O-])cc1 ZINC000271775314 455754523 /nfs/dbraw/zinc/75/45/23/455754523.db2.gz CMFKAJPLJFZYJI-DJJJIMSYSA-N 0 3 331.412 3.275 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+]CC(C)(C)CCCO)c1[O-] ZINC000271807337 455767988 /nfs/dbraw/zinc/76/79/88/455767988.db2.gz KDLVOMIDFDUUFY-UHFFFAOYSA-N 0 3 330.266 3.351 20 10 EGCDHN CC[C@H](NCc1cc(C)nc(N2CCCC2)n1)c1ccccc1O ZINC000293351986 455782884 /nfs/dbraw/zinc/78/28/84/455782884.db2.gz HAIHWDLFQFZXMV-KRWDZBQOSA-N 0 3 326.444 3.332 20 10 EGCDHN Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1[O-] ZINC000271841929 455784200 /nfs/dbraw/zinc/78/42/00/455784200.db2.gz QKZJUVZRFGPSED-ZBFHGGJFSA-N 0 3 334.460 3.436 20 10 EGCDHN Cc1cccc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1[O-] ZINC000271841929 455784204 /nfs/dbraw/zinc/78/42/04/455784204.db2.gz QKZJUVZRFGPSED-ZBFHGGJFSA-N 0 3 334.460 3.436 20 10 EGCDHN Cc1ccc([O-])c(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)c1 ZINC000186593749 455800935 /nfs/dbraw/zinc/80/09/35/455800935.db2.gz WXKLXFMZVIAEHL-UHFFFAOYSA-N 0 3 329.415 3.409 20 10 EGCDHN C[C@H](C[S@](C)=O)NCc1ccc(N(C)Cc2cccs2)cc1 ZINC000294669661 455824090 /nfs/dbraw/zinc/82/40/90/455824090.db2.gz ALRIYKSXQDNYQC-PEBXRYMYSA-N 0 3 336.526 3.241 20 10 EGCDHN CCC[C@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)[C@@H](O)c1ccccc1 ZINC000279661896 455870683 /nfs/dbraw/zinc/87/06/83/455870683.db2.gz MAAQWJDTUINIAQ-KXBFYZLASA-N 0 3 329.396 3.113 20 10 EGCDHN CC[C@@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1ccc(C)cc1[O-] ZINC000279945324 455878130 /nfs/dbraw/zinc/87/81/30/455878130.db2.gz BLEFWRJFNBRNNN-QGZVFWFLSA-N 0 3 348.468 3.313 20 10 EGCDHN CC[C@@H]([NH2+]Cc1cccnc1N1CCOCC1)c1ccc(C)cc1[O-] ZINC000279954624 455879654 /nfs/dbraw/zinc/87/96/54/455879654.db2.gz BYXSBSKUGRLGBS-GOSISDBHSA-N 0 3 341.455 3.173 20 10 EGCDHN CC[C@@H]([NH2+]CC1(N2CCCC2)CCOCC1)c1ccc(C)cc1[O-] ZINC000280097666 455891221 /nfs/dbraw/zinc/89/12/21/455891221.db2.gz MWUGHQDAHYCORA-GOSISDBHSA-N 0 3 332.488 3.386 20 10 EGCDHN CC[C@H]([NH2+]Cc1cc(F)ccc1[O-])[C@@H](O)c1c(F)cccc1F ZINC000272251342 455892371 /nfs/dbraw/zinc/89/23/71/455892371.db2.gz CBKZQWLQXWICKH-WMLDXEAASA-N 0 3 325.330 3.411 20 10 EGCDHN C[N@H+](Cc1cc(F)ccc1[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC000272324543 455913591 /nfs/dbraw/zinc/91/35/91/455913591.db2.gz UZZHZDYVSQWRLN-UHFFFAOYSA-N 0 3 342.414 3.268 20 10 EGCDHN C[N@@H+](Cc1cc(F)ccc1[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC000272324543 455913597 /nfs/dbraw/zinc/91/35/97/455913597.db2.gz UZZHZDYVSQWRLN-UHFFFAOYSA-N 0 3 342.414 3.268 20 10 EGCDHN CCCOc1ccc(C[NH2+]C[C@](C)(O)c2ccc(F)cc2)c([O-])c1 ZINC000270298376 455922675 /nfs/dbraw/zinc/92/26/75/455922675.db2.gz RBZABGLZYTVHLW-IBGZPJMESA-N 0 3 333.403 3.317 20 10 EGCDHN CC[C@H]([NH2+]Cc1ccnc(OCCN(C)C)c1)c1ccc(F)cc1[O-] ZINC000286191316 455997573 /nfs/dbraw/zinc/99/75/73/455997573.db2.gz QVZVKGUHBCXRQL-KRWDZBQOSA-N 0 3 347.434 3.108 20 10 EGCDHN COC1CCN(c2ccc(CN3CCN(CC(C)C)CC3)cc2)CC1 ZINC000296636907 455997539 /nfs/dbraw/zinc/99/75/39/455997539.db2.gz WCXRADUSDYHCPB-UHFFFAOYSA-N 0 3 345.531 3.075 20 10 EGCDHN COC(=O)[C@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C[C@@H]1C ZINC000188109917 455998962 /nfs/dbraw/zinc/99/89/62/455998962.db2.gz QUFVJTWCZZMSOM-LPHOPBHVSA-N 0 3 330.472 3.308 20 10 EGCDHN CN(C)c1ccc(CNCCOCC(F)F)c(C(F)(F)F)c1 ZINC000280705757 456035058 /nfs/dbraw/zinc/03/50/58/456035058.db2.gz WPZJMLDMCGKSTG-UHFFFAOYSA-N 0 3 326.309 3.143 20 10 EGCDHN Cc1ccc(O)c([C@H](C)NCc2ccncc2OC[C@@H]2CCOC2)c1 ZINC000287264925 456065880 /nfs/dbraw/zinc/06/58/80/456065880.db2.gz IQZUJKXAKYIHIX-JKSUJKDBSA-N 0 3 342.439 3.362 20 10 EGCDHN Cc1cc(C(=O)N[C@@H](C)C2=CCN(C)CC2)c(C)n1-c1ccccc1 ZINC000272796872 456072107 /nfs/dbraw/zinc/07/21/07/456072107.db2.gz ULMGMLWNVSNBGH-INIZCTEOSA-N 0 3 337.467 3.474 20 10 EGCDHN CC[C@@H](NC[C@@H](O)C[NH+]1CCCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287770028 456078416 /nfs/dbraw/zinc/07/84/16/456078416.db2.gz RLIQJGLEZDWWNM-IUODEOHRSA-N 0 3 347.286 3.196 20 10 EGCDHN Oc1cc2c(cc1CN1CC=C(c3c[nH]c4ncccc34)CC1)OCO2 ZINC000271021492 456100989 /nfs/dbraw/zinc/10/09/89/456100989.db2.gz BDBYLNQPVJVIGJ-UHFFFAOYSA-N 0 3 349.390 3.287 20 10 EGCDHN CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1cccc(OC)c1[O-] ZINC000289541856 456130160 /nfs/dbraw/zinc/13/01/60/456130160.db2.gz WWKYDOAWHBPFBB-CQSZACIVSA-N 0 3 342.439 3.470 20 10 EGCDHN COC[C@@]1(C[NH2+][C@@H](C)c2cc(C)ccc2[O-])OCCc2ccccc21 ZINC000289609893 456132959 /nfs/dbraw/zinc/13/29/59/456132959.db2.gz CZWZYWBUOBFISF-HRAATJIYSA-N 0 3 341.451 3.466 20 10 EGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1 ZINC000297421271 456216356 /nfs/dbraw/zinc/21/63/56/456216356.db2.gz USBFWBZPQNMLMJ-UTXMOHQDSA-N 0 3 332.444 3.217 20 10 EGCDHN CCn1cc(C[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])cn1 ZINC000273214872 456217927 /nfs/dbraw/zinc/21/79/27/456217927.db2.gz UKVDKYAMFHIEMG-UHFFFAOYSA-N 0 3 337.423 3.477 20 10 EGCDHN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)NCc2ccccc2)c(O)c1C ZINC000273430406 456230603 /nfs/dbraw/zinc/23/06/03/456230603.db2.gz VLPCJLKSNXBRTB-CVEARBPZSA-N 0 3 326.440 3.365 20 10 EGCDHN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccc2c(c1)CC(=O)N2C ZINC000273574608 456239280 /nfs/dbraw/zinc/23/92/80/456239280.db2.gz LKFMQNMKOWRAQG-NEPJUHHUSA-N 0 3 328.387 3.462 20 10 EGCDHN C[C@H](NCc1ccncc1OCCC[NH+](C)C)c1ccc(F)cc1[O-] ZINC000290161773 456256494 /nfs/dbraw/zinc/25/64/94/456256494.db2.gz DGGQFWSJCZWOQG-AWEZNQCLSA-N 0 3 347.434 3.108 20 10 EGCDHN Cc1c2ccccc2n(C)c1CNC(=O)NCCN1CCC(C)CC1 ZINC000349353232 456950549 /nfs/dbraw/zinc/95/05/49/456950549.db2.gz INRKGTYCTINVFY-UHFFFAOYSA-N 0 3 342.487 3.018 20 10 EGCDHN Cc1c2ccccc2n(C)c1CNC(=O)NCCN1CCCC[C@H]1C ZINC000349381717 456958805 /nfs/dbraw/zinc/95/88/05/456958805.db2.gz QRZTWHYJXPCKAN-OAHLLOKOSA-N 0 3 342.487 3.160 20 10 EGCDHN Cc1ccc(O)c(CN2CCCN(C(=O)CC3CCCC3)CC2)c1 ZINC000378338238 457392104 /nfs/dbraw/zinc/39/21/04/457392104.db2.gz WQCJOFCTVNMQFD-UHFFFAOYSA-N 0 3 330.472 3.315 20 10 EGCDHN c1cc(N2CCCCC2)ccc1CN1CCOC2(CCOCC2)CC1 ZINC000372129356 458201974 /nfs/dbraw/zinc/20/19/74/458201974.db2.gz WJRVPBUQRSEUSD-UHFFFAOYSA-N 0 3 344.499 3.448 20 10 EGCDHN COc1ccc(O)c(CN2CCC(O)(Cc3ccccc3F)CC2)c1 ZINC000369692562 458318795 /nfs/dbraw/zinc/31/87/95/458318795.db2.gz JQACYPHRJANXDS-UHFFFAOYSA-N 0 3 345.414 3.110 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2Cc3ccccc3NC2=O)c2c1c(F)ccc2[O-] ZINC000528002982 459793259 /nfs/dbraw/zinc/79/32/59/459793259.db2.gz UIIPBHWWCOGJOU-VCTAVGKDSA-N 0 3 326.371 3.233 20 10 EGCDHN CCN(CC)c1ccc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000731677918 575199155 /nfs/dbraw/zinc/19/91/55/575199155.db2.gz BWNQCAJGVHWCBJ-LJQANCHMSA-N 0 3 343.427 3.264 20 10 EGCDHN COc1ccc2[nH]cc(CC[NH2+]Cc3c([O-])cccc3OC)c2c1 ZINC000733326682 575327976 /nfs/dbraw/zinc/32/79/76/575327976.db2.gz UADCEMPAJZHDRR-UHFFFAOYSA-N 0 3 326.396 3.223 20 10 EGCDHN O=C(NCc1ccccc1O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000734863481 575565037 /nfs/dbraw/zinc/56/50/37/575565037.db2.gz UWWVFBRLSFQWFP-KRWDZBQOSA-N 0 3 342.414 3.060 20 10 EGCDHN Cc1cc(C(=O)N(C)[C@@H]2CCCN(C)C2)c(C)n1-c1ccc(F)cc1 ZINC000741718783 576712981 /nfs/dbraw/zinc/71/29/81/576712981.db2.gz CSUNBHSHNNHLBX-GOSISDBHSA-N 0 3 343.446 3.399 20 10 EGCDHN Cc1ccc(C)n1-c1ccsc1C(=O)NCCN1CC[C@H](C)C1 ZINC000744800376 576834793 /nfs/dbraw/zinc/83/47/93/576834793.db2.gz VTLFYAGTGLIMIK-ZDUSSCGKSA-N 0 3 331.485 3.227 20 10 EGCDHN CC[NH+](CC)[C@H]1CCN(Cc2ccc(Br)cc2[O-])C1 ZINC000701175427 1298183979 /nfs/dbraw/zinc/18/39/79/1298183979.db2.gz QJBAPTIPRIILQU-AWEZNQCLSA-N 0 3 327.266 3.071 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H](CCO)C2CC2)c1[O-] ZINC000779031510 1304520270 /nfs/dbraw/zinc/52/02/70/1304520270.db2.gz IOEWHGJXURVGGX-IINYFYTJSA-N 0 3 328.250 3.275 20 10 EGCDHN CC[N@H+](CCOc1ccccc1OC)Cc1c([O-])cccc1OC ZINC000827762562 1292367990 /nfs/dbraw/zinc/36/79/90/1292367990.db2.gz NPOXWZLZWOSHQO-UHFFFAOYSA-N 0 3 331.412 3.310 20 10 EGCDHN CC[N@@H+](CCOc1ccccc1OC)Cc1c([O-])cccc1OC ZINC000827762562 1292367995 /nfs/dbraw/zinc/36/79/95/1292367995.db2.gz NPOXWZLZWOSHQO-UHFFFAOYSA-N 0 3 331.412 3.310 20 10 EGCDHN Cc1cc(CN2CCC(F)(F)[C@@H](CO)C2)ccc1N1CCCCC1 ZINC000829973317 1292649472 /nfs/dbraw/zinc/64/94/72/1292649472.db2.gz CHZHAQHTVVAPHT-QGZVFWFLSA-N 0 3 338.442 3.435 20 10 EGCDHN COc1cc(Br)cc(CN2CCC[C@H]2CSC)c1O ZINC000093760761 1292930637 /nfs/dbraw/zinc/93/06/37/1292930637.db2.gz ROASZIZWUCFPKW-LBPRGKRZSA-N 0 3 346.290 3.491 20 10 EGCDHN CC(C)[C@@H](C(=O)NCc1ccc(N2CCC(C)CC2)cc1)N(C)C ZINC000108453913 1293081154 /nfs/dbraw/zinc/08/11/54/1293081154.db2.gz BUUJYWAGOMRRHB-IBGZPJMESA-N 0 3 331.504 3.125 20 10 EGCDHN O=C1[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCN1c1ccccc1Cl ZINC000834645879 1293126981 /nfs/dbraw/zinc/12/69/81/1293126981.db2.gz PLYXCVHECZCSLG-CABCVRRESA-N 0 3 342.826 3.428 20 10 EGCDHN [O-]c1cccc2c1[C@H]([NH2+]CCOc1cccc(C(F)(F)F)n1)CC2 ZINC000834692477 1293132560 /nfs/dbraw/zinc/13/25/60/1293132560.db2.gz CDJUZDMKPSWJMQ-GFCCVEGCSA-N 0 3 338.329 3.462 20 10 EGCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCOc1ccc(C(F)(F)F)cn1)CC2 ZINC000834681044 1293132893 /nfs/dbraw/zinc/13/28/93/1293132893.db2.gz UQWVJWSXKBBBIW-ZDUSSCGKSA-N 0 3 338.329 3.462 20 10 EGCDHN CCN1C[C@@H](N[C@@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1=O ZINC000834891913 1293165344 /nfs/dbraw/zinc/16/53/44/1293165344.db2.gz TUCSTMQDIJRMES-HOCLYGCPSA-N 0 3 333.451 3.087 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H](c3ccnn3C)C2)c2c1c(F)ccc2[O-] ZINC000834900513 1293170256 /nfs/dbraw/zinc/17/02/56/1293170256.db2.gz UEVBKPMFXAYBJL-WOKLECCJSA-N 0 3 345.418 3.323 20 10 EGCDHN CC[C@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1ccccc1[O-] ZINC000121103137 1293355778 /nfs/dbraw/zinc/35/57/78/1293355778.db2.gz BNUVGTZLHYRCEN-LBPRGKRZSA-N 0 3 338.329 3.489 20 10 EGCDHN O=C(NC1CC1)c1ccc(C[N@@H+](Cc2ccccc2[O-])C2CC2)cc1 ZINC000179558680 1294804408 /nfs/dbraw/zinc/80/44/08/1294804408.db2.gz NPGIEEBPNMRRJW-UHFFFAOYSA-N 0 3 336.435 3.449 20 10 EGCDHN O=C(NC1CC1)c1ccc(C[N@H+](Cc2ccccc2[O-])C2CC2)cc1 ZINC000179558680 1294804415 /nfs/dbraw/zinc/80/44/15/1294804415.db2.gz NPGIEEBPNMRRJW-UHFFFAOYSA-N 0 3 336.435 3.449 20 10 EGCDHN Cc1cccc(CN2CCN(c3cccc(F)c3C#N)CC2)c1O ZINC000179762352 1294822373 /nfs/dbraw/zinc/82/23/73/1294822373.db2.gz BBMIYLLEXNILKG-UHFFFAOYSA-N 0 3 325.387 3.034 20 10 EGCDHN CCN(Cc1ccccc1)C(=O)CN[C@@H](C)c1cc(OC)ccc1O ZINC000182406616 1295044578 /nfs/dbraw/zinc/04/45/78/1295044578.db2.gz DORCZAVNVKRVHH-HNNXBMFYSA-N 0 3 342.439 3.100 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]CC2(N3CCOCC3)CCCCC2)c([O-])c1 ZINC000184858545 1295224409 /nfs/dbraw/zinc/22/44/09/1295224409.db2.gz SXDNPIUDPCXQSZ-QGZVFWFLSA-N 0 3 332.488 3.386 20 10 EGCDHN CCOc1ccc2c(c1)[C@H](NCc1cccc(OC)c1O)CCO2 ZINC000187545690 1295399534 /nfs/dbraw/zinc/39/95/34/1295399534.db2.gz SQRFCBYZMMFZTP-MRXNPFEDSA-N 0 3 329.396 3.413 20 10 EGCDHN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2[O-])[C@@H]1Oc1ccccc1 ZINC000187636036 1295405128 /nfs/dbraw/zinc/40/51/28/1295405128.db2.gz RDKQORNINOJWMK-UHOSZYNNSA-N 0 3 331.387 3.246 20 10 EGCDHN COCCO[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000193418261 1295864922 /nfs/dbraw/zinc/86/49/22/1295864922.db2.gz NUQNQCLKTIOVKU-QGZVFWFLSA-N 0 3 345.439 3.181 20 10 EGCDHN COCCO[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000193418261 1295864934 /nfs/dbraw/zinc/86/49/34/1295864934.db2.gz NUQNQCLKTIOVKU-QGZVFWFLSA-N 0 3 345.439 3.181 20 10 EGCDHN CCOC(=O)N1CCC[N@H+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000194841672 1296015295 /nfs/dbraw/zinc/01/52/95/1296015295.db2.gz OPIQCJWREFOUMV-UHFFFAOYSA-N 0 3 328.412 3.210 20 10 EGCDHN CCOC(=O)N1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000194841672 1296015308 /nfs/dbraw/zinc/01/53/08/1296015308.db2.gz OPIQCJWREFOUMV-UHFFFAOYSA-N 0 3 328.412 3.210 20 10 EGCDHN C[N@@H+]1CCC[C@@H]2CN(Cc3cccc(Br)c3[O-])CC[C@H]21 ZINC000228183409 1296150597 /nfs/dbraw/zinc/15/05/97/1296150597.db2.gz MLYBDRGLZBETHT-IUODEOHRSA-N 0 3 339.277 3.071 20 10 EGCDHN C[N@H+]1CCC[C@@H]2CN(Cc3cccc(Br)c3[O-])CC[C@H]21 ZINC000228183409 1296150602 /nfs/dbraw/zinc/15/06/02/1296150602.db2.gz MLYBDRGLZBETHT-IUODEOHRSA-N 0 3 339.277 3.071 20 10 EGCDHN CC(C)(C)c1cc(O)c(O)c(CN2CCS[C@@H]3COCC[C@H]32)c1 ZINC000246838498 1296373034 /nfs/dbraw/zinc/37/30/34/1296373034.db2.gz KJAOYSNDUKCBRU-GDBMZVCRSA-N 0 3 337.485 3.102 20 10 EGCDHN CCCOc1ccc(CNCc2ccc(C(=O)NC)cc2)cc1C ZINC000873010378 1297221702 /nfs/dbraw/zinc/22/17/02/1297221702.db2.gz KHBGJTRAFOXPLX-UHFFFAOYSA-N 0 3 326.440 3.433 20 10 EGCDHN Oc1cc2c(cc1CN1CCC(Oc3cccc(F)c3)CC1)OCO2 ZINC000529638137 1297991985 /nfs/dbraw/zinc/99/19/85/1297991985.db2.gz ZYRAZPXUBRLPHG-UHFFFAOYSA-N 0 3 345.370 3.303 20 10 EGCDHN CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000715089425 1298276919 /nfs/dbraw/zinc/27/69/19/1298276919.db2.gz FXEYYJPDTHPBBQ-BPLDGKMQSA-N 0 3 332.444 3.272 20 10 EGCDHN CCCCNC(=O)c1ccc(CNCc2c(O)cccc2OC)cc1 ZINC000725849506 1298373382 /nfs/dbraw/zinc/37/33/82/1298373382.db2.gz KLLKVKCYNFWFMJ-UHFFFAOYSA-N 0 3 342.439 3.221 20 10 EGCDHN CCCCNC(=O)c1ccc(C[NH2+]Cc2c([O-])cccc2OC)cc1 ZINC000725849506 1298373399 /nfs/dbraw/zinc/37/33/99/1298373399.db2.gz KLLKVKCYNFWFMJ-UHFFFAOYSA-N 0 3 342.439 3.221 20 10 EGCDHN C[C@@H](NC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C)c1ccccc1O ZINC000875573263 1298393618 /nfs/dbraw/zinc/39/36/18/1298393618.db2.gz JNRVZBJWXMJKKW-ZRGWGRIASA-N 0 3 341.455 3.444 20 10 EGCDHN C[C@H]1CC[C@H](C)N1CC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000746238078 1298555957 /nfs/dbraw/zinc/55/59/57/1298555957.db2.gz SPHZEVVILAAGOH-ROUUACIJSA-N 0 3 343.515 3.412 20 10 EGCDHN Cc1ccc(CN2CCCN(C(=O)c3cccc(F)c3)CC2)c(O)c1 ZINC000876569864 1298835000 /nfs/dbraw/zinc/83/50/00/1298835000.db2.gz YHKJJYHSSOCZID-UHFFFAOYSA-N 0 3 342.414 3.188 20 10 EGCDHN Cc1ccc(C[NH+]2CCC(CNC(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000876585132 1298849460 /nfs/dbraw/zinc/84/94/60/1298849460.db2.gz ZMDJXAQEPGDZFJ-UHFFFAOYSA-N 0 3 334.460 3.437 20 10 EGCDHN CCN1CCN(c2ccc(NCc3ccc(C)cc3O)cc2)CC1 ZINC000876820570 1299012512 /nfs/dbraw/zinc/01/25/12/1299012512.db2.gz QBEQOSYFEAIZQA-UHFFFAOYSA-N 0 3 325.456 3.455 20 10 EGCDHN Cc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000877015341 1299114407 /nfs/dbraw/zinc/11/44/07/1299114407.db2.gz MMVYOLPHCXAKJA-OAHLLOKOSA-N 0 3 334.460 3.437 20 10 EGCDHN Cc1cccc([O-])c1C[NH2+]C1CCN([C@@H](C)c2ccncc2)CC1 ZINC000877114754 1299163003 /nfs/dbraw/zinc/16/30/03/1299163003.db2.gz ABJAFWLAPSVEOE-INIZCTEOSA-N 0 3 325.456 3.411 20 10 EGCDHN C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc([O-])cs1 ZINC000749543205 1299234343 /nfs/dbraw/zinc/23/43/43/1299234343.db2.gz LGKNBWZXJTXWBJ-CJNGLKHVSA-N 0 3 330.453 3.094 20 10 EGCDHN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc([O-])cs1 ZINC000749543205 1299234351 /nfs/dbraw/zinc/23/43/51/1299234351.db2.gz LGKNBWZXJTXWBJ-CJNGLKHVSA-N 0 3 330.453 3.094 20 10 EGCDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C1=CC(=O)CS1 ZINC000749543205 1299234355 /nfs/dbraw/zinc/23/43/55/1299234355.db2.gz LGKNBWZXJTXWBJ-CJNGLKHVSA-N 0 3 330.453 3.094 20 10 EGCDHN C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc([O-])cs1 ZINC000749543209 1299235151 /nfs/dbraw/zinc/23/51/51/1299235151.db2.gz LGKNBWZXJTXWBJ-XJKSGUPXSA-N 0 3 330.453 3.094 20 10 EGCDHN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc([O-])cs1 ZINC000749543209 1299235165 /nfs/dbraw/zinc/23/51/65/1299235165.db2.gz LGKNBWZXJTXWBJ-XJKSGUPXSA-N 0 3 330.453 3.094 20 10 EGCDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C1=CC(=O)CS1 ZINC000749543209 1299235171 /nfs/dbraw/zinc/23/51/71/1299235171.db2.gz LGKNBWZXJTXWBJ-XJKSGUPXSA-N 0 3 330.453 3.094 20 10 EGCDHN C[C@@H](c1ccncc1)N(C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877317557 1299246881 /nfs/dbraw/zinc/24/68/81/1299246881.db2.gz RQDPBRQJSAPMCA-INIZCTEOSA-N 0 3 325.456 3.236 20 10 EGCDHN C[C@@H]([NH2+][C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1)c1ccccc1[O-] ZINC000877756461 1299532816 /nfs/dbraw/zinc/53/28/16/1299532816.db2.gz JSELGCAXXXBILT-LZJOCLMNSA-N 0 3 340.467 3.332 20 10 EGCDHN COc1cc(Br)cc(C[NH2+][C@H]2C[C@@H](OC)C2(C)C)c1[O-] ZINC000753375084 1299924080 /nfs/dbraw/zinc/92/40/80/1299924080.db2.gz ZNRREQIAOVNMAZ-QWHCGFSZSA-N 0 3 344.249 3.066 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C[C@@H](O)c1ccco1 ZINC000753546655 1299970351 /nfs/dbraw/zinc/97/03/51/1299970351.db2.gz KBWFKHRIKCKHPX-LJQANCHMSA-N 0 3 339.391 3.387 20 10 EGCDHN COc1ccc(O)c([C@H](C)N[C@@H](CC(=O)N(C)C)c2ccccc2)c1 ZINC000756454295 1300494982 /nfs/dbraw/zinc/49/49/82/1300494982.db2.gz LERKIRFSJJWAIB-KSSFIOAISA-N 0 3 342.439 3.271 20 10 EGCDHN C[C@H]([NH2+][C@H](CC(=O)N(C)C)c1ccccc1)c1cc(F)ccc1[O-] ZINC000756455388 1300496180 /nfs/dbraw/zinc/49/61/80/1300496180.db2.gz SFNAWHKIGFGCDA-SUMWQHHRSA-N 0 3 330.403 3.402 20 10 EGCDHN C[C@H]1C[C@H]([NH2+]CCNC(=O)c2ccccc2F)c2c1c(F)ccc2[O-] ZINC000756460733 1300497135 /nfs/dbraw/zinc/49/71/35/1300497135.db2.gz RAKLIJHABBERGN-NHYWBVRUSA-N 0 3 346.377 3.238 20 10 EGCDHN COc1cc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2[O-])ccc1OCCO ZINC000756461146 1300497791 /nfs/dbraw/zinc/49/77/91/1300497791.db2.gz WBAQGMUBFISIST-QWHCGFSZSA-N 0 3 349.402 3.323 20 10 EGCDHN C[C@H]1C[C@H]([NH2+]CCC(=O)N2CCCCCC2)c2c1c(F)ccc2[O-] ZINC000756507590 1300510791 /nfs/dbraw/zinc/51/07/91/1300510791.db2.gz CVDVKLPCXQHYEG-ZFWWWQNUSA-N 0 3 334.435 3.462 20 10 EGCDHN C[C@@H]([NH2+]C[C@@H](O)CO[C@H]1CCCc2ccccc21)c1ccccc1[O-] ZINC000879649291 1300649084 /nfs/dbraw/zinc/64/90/84/1300649084.db2.gz PXVNOFUSYNMFDO-CEQIKUNHSA-N 0 3 341.451 3.498 20 10 EGCDHN COc1ccc(OC)c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000879650033 1300650210 /nfs/dbraw/zinc/65/02/10/1300650210.db2.gz YKTLYUWOVZZINL-CHWSQXEVSA-N 0 3 344.411 3.087 20 10 EGCDHN COc1cc(Cl)cc(CN(C)C[C@@H]2COc3ccccc3O2)c1O ZINC000761185071 1301416084 /nfs/dbraw/zinc/41/60/84/1301416084.db2.gz YQBXEBKHVJRMLD-CQSZACIVSA-N 0 3 349.814 3.326 20 10 EGCDHN COc1cccc([O-])c1C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000768201885 1302853757 /nfs/dbraw/zinc/85/37/57/1302853757.db2.gz VFNDDEVUVAXCML-UHFFFAOYSA-N 0 3 340.423 3.252 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+]CCc2cn3c(n2)SCC3)c2c1c(F)ccc2[O-] ZINC000768284191 1302872792 /nfs/dbraw/zinc/87/27/92/1302872792.db2.gz BDRMKJHIXUYOJC-MFKMUULPSA-N 0 3 333.432 3.214 20 10 EGCDHN Cc1ccccc1OCCC[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768443194 1302903591 /nfs/dbraw/zinc/90/35/91/1302903591.db2.gz RGJKIBCFSGDRTI-GOSISDBHSA-N 0 3 343.423 3.027 20 10 EGCDHN Cc1ccccc1OCCC[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768443194 1302903600 /nfs/dbraw/zinc/90/36/00/1302903600.db2.gz RGJKIBCFSGDRTI-GOSISDBHSA-N 0 3 343.423 3.027 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+](C1CC1)[C@H]1CCc3ccccc31)[C@@H](O)CO2 ZINC000768444980 1302907575 /nfs/dbraw/zinc/90/75/75/1302907575.db2.gz ZVXPNTPMUDXGIP-ICSRJNTNSA-N 0 3 337.419 3.470 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+](C1CC1)[C@H]1CCc3ccccc31)[C@@H](O)CO2 ZINC000768444980 1302907578 /nfs/dbraw/zinc/90/75/78/1302907578.db2.gz ZVXPNTPMUDXGIP-ICSRJNTNSA-N 0 3 337.419 3.470 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCSC3(CCCCC3)C1)[C@@H](O)CO2 ZINC000768463381 1302911643 /nfs/dbraw/zinc/91/16/43/1302911643.db2.gz HVGWHSISYFVKNY-INIZCTEOSA-N 0 3 335.469 3.070 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CCSC3(CCCCC3)C1)[C@@H](O)CO2 ZINC000768463381 1302911657 /nfs/dbraw/zinc/91/16/57/1302911657.db2.gz HVGWHSISYFVKNY-INIZCTEOSA-N 0 3 335.469 3.070 20 10 EGCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)c([O-])c1 ZINC000768529394 1302925554 /nfs/dbraw/zinc/92/55/54/1302925554.db2.gz MZGFYNXNDCNEEL-HNNXBMFYSA-N 0 3 335.444 3.345 20 10 EGCDHN CCOc1ccc(C[N@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)c([O-])c1 ZINC000768529394 1302925562 /nfs/dbraw/zinc/92/55/62/1302925562.db2.gz MZGFYNXNDCNEEL-HNNXBMFYSA-N 0 3 335.444 3.345 20 10 EGCDHN O=[N+]([O-])c1cc(CN2CCC[C@@H](CCO)C2)ccc1N1CCCCC1 ZINC000769333213 1303093639 /nfs/dbraw/zinc/09/36/39/1303093639.db2.gz HKQVLOJWVIGPAH-INIZCTEOSA-N 0 3 347.459 3.180 20 10 EGCDHN CCOc1ccc(C[N@H+](C)CCCNC(=O)OC(C)(C)C)c([O-])c1 ZINC000769462352 1303118050 /nfs/dbraw/zinc/11/80/50/1303118050.db2.gz FSYIIQCVUMPDOK-UHFFFAOYSA-N 0 3 338.448 3.138 20 10 EGCDHN CCOc1ccc(C[N@@H+](C)CCCNC(=O)OC(C)(C)C)c([O-])c1 ZINC000769462352 1303118057 /nfs/dbraw/zinc/11/80/57/1303118057.db2.gz FSYIIQCVUMPDOK-UHFFFAOYSA-N 0 3 338.448 3.138 20 10 EGCDHN C/C=C\C[C@H](CO)N[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000769993924 1303203823 /nfs/dbraw/zinc/20/38/23/1303203823.db2.gz INAWORTUKPLLKY-LPUOJRKPSA-N 0 3 338.879 3.154 20 10 EGCDHN Cc1ccc([C@H](C)NCc2ccc(N3CCOCC3)cc2)c(C)n1 ZINC000771376306 1303395731 /nfs/dbraw/zinc/39/57/31/1303395731.db2.gz WJGHVZZVACHJPU-INIZCTEOSA-N 0 3 325.456 3.386 20 10 EGCDHN CCN(C)c1ccc(CN2CCC[C@H](N3CCCCC3=O)C2)cc1 ZINC000773758750 1303736007 /nfs/dbraw/zinc/73/60/07/1303736007.db2.gz XYOSFNMDNBHTCV-IBGZPJMESA-N 0 3 329.488 3.120 20 10 EGCDHN C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)NCc1ccccc1F ZINC000774480367 1303815223 /nfs/dbraw/zinc/81/52/23/1303815223.db2.gz AYFNURITUAVRTB-HUUCEWRRSA-N 0 3 343.446 3.247 20 10 EGCDHN CCC[N@H+](Cc1cc(Br)cc(C)c1[O-])CC(C)(C)O ZINC000775677159 1304013178 /nfs/dbraw/zinc/01/31/78/1304013178.db2.gz IDLAJHQHKMILON-UHFFFAOYSA-N 0 3 330.266 3.446 20 10 EGCDHN CCC[N@@H+](Cc1cc(Br)cc(C)c1[O-])CC(C)(C)O ZINC000775677159 1304013181 /nfs/dbraw/zinc/01/31/81/1304013181.db2.gz IDLAJHQHKMILON-UHFFFAOYSA-N 0 3 330.266 3.446 20 10 EGCDHN COC(=O)CC[N@@H+](Cc1cc(Br)cc(C)c1[O-])C(C)C ZINC000775700116 1304018127 /nfs/dbraw/zinc/01/81/27/1304018127.db2.gz BJCXOFZPSGUYKI-UHFFFAOYSA-N 0 3 344.249 3.237 20 10 EGCDHN COC(=O)CC[N@H+](Cc1cc(Br)cc(C)c1[O-])C(C)C ZINC000775700116 1304018124 /nfs/dbraw/zinc/01/81/24/1304018124.db2.gz BJCXOFZPSGUYKI-UHFFFAOYSA-N 0 3 344.249 3.237 20 10 EGCDHN C[C@H](NCC(=O)Nc1cccnc1Cl)c1ccc(N(C)C)cc1 ZINC000775829029 1304045134 /nfs/dbraw/zinc/04/51/34/1304045134.db2.gz WKBWIXQBJOMINE-LBPRGKRZSA-N 0 3 332.835 3.090 20 10 EGCDHN CCN1C[C@@H](C[N@H+](C)Cc2cc(F)ccc2[O-])Oc2ccccc21 ZINC000778995343 1304516454 /nfs/dbraw/zinc/51/64/54/1304516454.db2.gz VKAMQVQAWVSBCN-MRXNPFEDSA-N 0 3 330.403 3.251 20 10 EGCDHN CCN1C[C@@H](C[N@@H+](C)Cc2cc(F)ccc2[O-])Oc2ccccc21 ZINC000778995343 1304516457 /nfs/dbraw/zinc/51/64/57/1304516457.db2.gz VKAMQVQAWVSBCN-MRXNPFEDSA-N 0 3 330.403 3.251 20 10 EGCDHN [O-]c1ccc(F)cc1C[NH2+]CCNc1ccc(-c2ccccc2)nn1 ZINC000779118578 1304531574 /nfs/dbraw/zinc/53/15/74/1304531574.db2.gz IRILADLBKJRZAW-UHFFFAOYSA-N 0 3 338.386 3.190 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@H]1CCn2ccnc2C1 ZINC000779191229 1304540942 /nfs/dbraw/zinc/54/09/42/1304540942.db2.gz FTBPMBNQAVTUMR-SFHVURJKSA-N 0 3 349.434 3.272 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CCC[C@H]1CCO ZINC000779202287 1304542555 /nfs/dbraw/zinc/54/25/55/1304542555.db2.gz MTTVBBDZXFNUOC-SFHVURJKSA-N 0 3 327.424 3.318 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC[C@H]1CCO ZINC000779202287 1304542559 /nfs/dbraw/zinc/54/25/59/1304542559.db2.gz MTTVBBDZXFNUOC-SFHVURJKSA-N 0 3 327.424 3.318 20 10 EGCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000783626164 1305119224 /nfs/dbraw/zinc/11/92/24/1305119224.db2.gz JVUPJCHXWAGCOQ-PBHICJAKSA-N 0 3 338.879 3.026 20 10 EGCDHN CC(C)(C)OC(=O)NC1(C)CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000783717529 1305131483 /nfs/dbraw/zinc/13/14/83/1305131483.db2.gz CFAZYMZOIRICCE-UHFFFAOYSA-N 0 3 338.423 3.411 20 10 EGCDHN Cc1cc(N2CCC([NH2+][C@@H]3C[C@@H](C)c4c3c([O-])ccc4F)CC2)n[nH]1 ZINC000784056406 1305183411 /nfs/dbraw/zinc/18/34/11/1305183411.db2.gz LLIYUALDVFWCDK-IAQYHMDHSA-N 0 3 344.434 3.370 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+](CCO)C1CCC1 ZINC000784673931 1305270632 /nfs/dbraw/zinc/27/06/32/1305270632.db2.gz WKTZALUKCDOPNF-UHFFFAOYSA-N 0 3 327.424 3.318 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+](CCO)C1CCC1 ZINC000784673931 1305270638 /nfs/dbraw/zinc/27/06/38/1305270638.db2.gz WKTZALUKCDOPNF-UHFFFAOYSA-N 0 3 327.424 3.318 20 10 EGCDHN COc1cccc([O-])c1C[NH2+]C[C@H](O)c1cc(F)cc(Cl)c1 ZINC000785613312 1305392629 /nfs/dbraw/zinc/39/26/29/1305392629.db2.gz DWRFEDCFPSZHBP-HNNXBMFYSA-N 0 3 325.767 3.017 20 10 EGCDHN CC(=O)Nc1ccc(C[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)cn1 ZINC000788604526 1305980221 /nfs/dbraw/zinc/98/02/21/1305980221.db2.gz CERGMGYCFWGTNI-HZMBPMFUSA-N 0 3 329.375 3.223 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCN2CCOCC2(C)C)c1[O-] ZINC000808692054 1317717265 /nfs/dbraw/zinc/71/72/65/1317717265.db2.gz SLMXMPGZDUYRSX-ZDUSSCGKSA-N 0 3 326.868 3.115 20 10 EGCDHN C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2cccc(Br)c2[O-])C1 ZINC000809767938 1317896718 /nfs/dbraw/zinc/89/67/18/1317896718.db2.gz YMERPCAUQJPQOP-IUODEOHRSA-N 0 3 339.277 3.071 20 10 EGCDHN C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2cccc(Br)c2[O-])C1 ZINC000809767938 1317896728 /nfs/dbraw/zinc/89/67/28/1317896728.db2.gz YMERPCAUQJPQOP-IUODEOHRSA-N 0 3 339.277 3.071 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+]CCO[C@@H]2CCCCO2)c1[O-] ZINC000894797863 1309077840 /nfs/dbraw/zinc/07/78/40/1309077840.db2.gz AJPOTFHFQMIDOY-CQSZACIVSA-N 0 3 344.249 3.096 20 10 EGCDHN CCc1cnc(CNC[C@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC000898449429 1310741090 /nfs/dbraw/zinc/74/10/90/1310741090.db2.gz FGRPEYSPWNIDOO-QGZVFWFLSA-N 0 3 332.517 3.164 20 10 EGCDHN CCCC[N@H+](Cc1cccc(C(=O)OC)n1)Cc1ccccc1[O-] ZINC000801599213 1310972647 /nfs/dbraw/zinc/97/26/47/1310972647.db2.gz FQCAWJFSKRHKKP-UHFFFAOYSA-N 0 3 328.412 3.376 20 10 EGCDHN CCCC[N@@H+](Cc1cccc(C(=O)OC)n1)Cc1ccccc1[O-] ZINC000801599213 1310972651 /nfs/dbraw/zinc/97/26/51/1310972651.db2.gz FQCAWJFSKRHKKP-UHFFFAOYSA-N 0 3 328.412 3.376 20 10 EGCDHN CO[C@@H]1CC[N@H+](Cc2cc(Br)cc(C)c2[O-])C[C@@H]1C ZINC000824815680 1320287799 /nfs/dbraw/zinc/28/77/99/1320287799.db2.gz WREBUQHJYKGIIP-SMDDNHRTSA-N 0 3 328.250 3.320 20 10 EGCDHN CO[C@@H]1CC[N@@H+](Cc2cc(Br)cc(C)c2[O-])C[C@@H]1C ZINC000824815680 1320287805 /nfs/dbraw/zinc/28/78/05/1320287805.db2.gz WREBUQHJYKGIIP-SMDDNHRTSA-N 0 3 328.250 3.320 20 10 EGCDHN CCN(CC)c1ccc(CN(C)C(=O)[C@H](N)Cc2ccccc2)cc1 ZINC000826019663 1320378819 /nfs/dbraw/zinc/37/88/19/1320378819.db2.gz IRJCQXURGSKVJD-HXUWFJFHSA-N 0 3 339.483 3.061 20 10 EGCDHN CCCNC(=O)OC[C@H]1CCCCN1Cc1ccc(N(C)C)cc1 ZINC000805776584 1317424504 /nfs/dbraw/zinc/42/45/04/1317424504.db2.gz RNGYEVWGNTXBPI-GOSISDBHSA-N 0 3 333.476 3.243 20 10 EGCDHN CC[C@H]([NH2+]C[C@@H](C)N1CCN(CC)CC1)c1cccc(Cl)c1[O-] ZINC000806132467 1317462916 /nfs/dbraw/zinc/46/29/16/1317462916.db2.gz WQSYGYQQWRQVHV-PBHICJAKSA-N 0 3 339.911 3.112 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2COc3ccccc3[C@H]2O)c2c1c(F)ccc2[O-] ZINC000808729450 1317724025 /nfs/dbraw/zinc/72/40/25/1317724025.db2.gz JZYFLROOLOEFTN-KUUVAIGYSA-N 0 3 329.371 3.164 20 10 EGCDHN C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cc(Br)ccc1[O-] ZINC000809702984 1317869569 /nfs/dbraw/zinc/86/95/69/1317869569.db2.gz BRJDHJAUPPMVHZ-SWLSCSKDSA-N 0 3 339.277 3.213 20 10 EGCDHN C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cc(Br)ccc1[O-] ZINC000809702985 1317870011 /nfs/dbraw/zinc/87/00/11/1317870011.db2.gz BRJDHJAUPPMVHZ-WFASDCNBSA-N 0 3 339.277 3.213 20 10 EGCDHN COc1ccc([C@@H](C)NCc2ccc(N3CCOCC3)cc2)cc1O ZINC000810213488 1317978043 /nfs/dbraw/zinc/97/80/43/1317978043.db2.gz TXUCBGAUQIBKLR-OAHLLOKOSA-N 0 3 342.439 3.088 20 10 EGCDHN CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1Cc1ccc(N(C)C)c(C)c1 ZINC000815056053 1318877065 /nfs/dbraw/zinc/87/70/65/1318877065.db2.gz ZOFSMJVQPGQVIH-RTBURBONSA-N 0 3 331.504 3.282 20 10 EGCDHN Cc1cc(CN2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)ccc1N(C)C ZINC000815102766 1318892709 /nfs/dbraw/zinc/89/27/09/1318892709.db2.gz LDRSPHIYTRWBBF-WBVHZDCISA-N 0 3 347.503 3.406 20 10 EGCDHN Cc1sccc1CNCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000815120034 1318899846 /nfs/dbraw/zinc/89/98/46/1318899846.db2.gz MRNMGFSFMVZCAM-UHFFFAOYSA-N 0 3 334.460 3.447 20 10 EGCDHN Cc1cc(N(C)C)ccc1CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815580280 1319020999 /nfs/dbraw/zinc/02/09/99/1319020999.db2.gz GPOCYTWIXAJTDD-ZDUSSCGKSA-N 0 3 328.416 3.402 20 10 EGCDHN CC[C@@H]1CN(C)CCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000816660525 1319203322 /nfs/dbraw/zinc/20/33/22/1319203322.db2.gz HJRRLZDDJQYWBR-QGZVFWFLSA-N 0 3 346.475 3.111 20 10 EGCDHN C[C@@H]([NH2+]CCCNC1CC1)c1cc(Br)cc(F)c1[O-] ZINC000817984376 1319485365 /nfs/dbraw/zinc/48/53/65/1319485365.db2.gz RMVMDVUWOBRPCJ-SECBINFHSA-N 0 3 331.229 3.087 20 10 EGCDHN CC(C)[NH2+]CCCN[C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000817953800 1319475207 /nfs/dbraw/zinc/47/52/07/1319475207.db2.gz RNNYJOLVDMBDIH-SNVBAGLBSA-N 0 3 333.245 3.333 20 10 EGCDHN C[C@H](NCCc1ccc(N)cc1)c1nc(Br)cs1 ZINC000817956910 1319477095 /nfs/dbraw/zinc/47/70/95/1319477095.db2.gz FSZRRZDNHNNYPM-VIFPVBQESA-N 0 3 326.263 3.381 20 10 EGCDHN C[C@@H]1CSC[C@H]1[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000823855602 1320212158 /nfs/dbraw/zinc/21/21/58/1320212158.db2.gz YXZXRUYRHCXMJW-DAXOMENPSA-N 0 3 340.920 3.351 20 10 EGCDHN CN(C)C(=O)O[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000824615596 1320270443 /nfs/dbraw/zinc/27/04/43/1320270443.db2.gz JDTJKNJGNIPFTA-HNNXBMFYSA-N 0 3 328.412 3.208 20 10 EGCDHN CN(C)C(=O)O[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000824615596 1320270449 /nfs/dbraw/zinc/27/04/49/1320270449.db2.gz JDTJKNJGNIPFTA-HNNXBMFYSA-N 0 3 328.412 3.208 20 10 EGCDHN CCC[N@H+](C)C[C@@H]1CCN(Cc2ccc(Br)cc2[O-])C1 ZINC000824889666 1320294070 /nfs/dbraw/zinc/29/40/70/1320294070.db2.gz SPDYBSGMVDMWCR-ZDUSSCGKSA-N 0 3 341.293 3.318 20 10 EGCDHN CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(Br)cc2[O-])C1 ZINC000824889666 1320294074 /nfs/dbraw/zinc/29/40/74/1320294074.db2.gz SPDYBSGMVDMWCR-ZDUSSCGKSA-N 0 3 341.293 3.318 20 10 EGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H](c4nc(C)no4)C3)c2c1 ZINC000840123820 1321033749 /nfs/dbraw/zinc/03/37/49/1321033749.db2.gz HYIDYSNOYJCXJW-CQSZACIVSA-N 0 3 339.395 3.235 20 10 EGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H](c4nc(C)no4)C3)c2c1 ZINC000840123820 1321033755 /nfs/dbraw/zinc/03/37/55/1321033755.db2.gz HYIDYSNOYJCXJW-CQSZACIVSA-N 0 3 339.395 3.235 20 10 EGCDHN CC(C)(CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])S(C)(=O)=O ZINC000840960567 1321187292 /nfs/dbraw/zinc/18/72/92/1321187292.db2.gz PDJIKKIXWVNXAL-UHFFFAOYSA-N 0 3 347.480 3.362 20 10 EGCDHN CC[C@@H]([NH2+]Cc1cc(Br)cc(C)c1[O-])[C@H](O)C(C)C ZINC000840966201 1321188917 /nfs/dbraw/zinc/18/89/17/1321188917.db2.gz DJPXIMRCWRTGCN-ZIAGYGMSSA-N 0 3 330.266 3.348 20 10 EGCDHN Cn1nc(C(F)(F)F)c(CNCCc2ccc(N)cc2)c1Cl ZINC000841034044 1321205208 /nfs/dbraw/zinc/20/52/08/1321205208.db2.gz FSMFGKRMVSHLAC-UHFFFAOYSA-N 0 3 332.757 3.007 20 10 EGCDHN CN(C)CCN(CCCc1ccccc1)C(=O)Nc1ccc(N)cc1 ZINC000841301540 1321249715 /nfs/dbraw/zinc/24/97/15/1321249715.db2.gz TZPNGJYSRJTJON-UHFFFAOYSA-N 0 3 340.471 3.297 20 10 EGCDHN Cc1cc(N(C)C)ccc1CNCc1ccccc1C(=O)N(C)C ZINC000841862647 1321324524 /nfs/dbraw/zinc/32/45/24/1321324524.db2.gz BROLPTINTTXCBX-UHFFFAOYSA-N 0 3 325.456 3.053 20 10 EGCDHN CN(C)[C@@H](CNC(=O)NCc1cc(Cl)ccc1O)c1ccccc1 ZINC000844850528 1321650526 /nfs/dbraw/zinc/65/05/26/1321650526.db2.gz UXFBNEWIIMDVLQ-INIZCTEOSA-N 0 3 347.846 3.148 20 10 EGCDHN Cc1cc(Br)cc(C[NH+]2CCC([C@H](C)CO)CC2)c1[O-] ZINC000846058685 1321765277 /nfs/dbraw/zinc/76/52/77/1321765277.db2.gz RPPKUZZLADELRU-GFCCVEGCSA-N 0 3 342.277 3.304 20 10 EGCDHN O=C1CCCN1CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000846204681 1321775506 /nfs/dbraw/zinc/77/55/06/1321775506.db2.gz ARMSIDAYJJNMOP-IBGZPJMESA-N 0 3 338.451 3.278 20 10 EGCDHN C[C@@H](c1ccccc1)[N@H+](CC[C@H]1CCNC1=O)Cc1ccccc1[O-] ZINC000846839912 1321814670 /nfs/dbraw/zinc/81/46/70/1321814670.db2.gz HUJVRCVVPWWSEZ-FUHWJXTLSA-N 0 3 338.451 3.482 20 10 EGCDHN C[C@@H](c1ccccc1)[N@@H+](CC[C@H]1CCNC1=O)Cc1ccccc1[O-] ZINC000846839912 1321814673 /nfs/dbraw/zinc/81/46/73/1321814673.db2.gz HUJVRCVVPWWSEZ-FUHWJXTLSA-N 0 3 338.451 3.482 20 10 EGCDHN OC1CCN(c2ccc(CNCc3cc4cnccc4o3)cc2)CC1 ZINC000850406624 1322240422 /nfs/dbraw/zinc/24/04/22/1322240422.db2.gz NKXSQWOODAISMY-UHFFFAOYSA-N 0 3 337.423 3.079 20 10 EGCDHN CCOc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)OC(C)(C)C)c([O-])c1 ZINC000850417355 1322243095 /nfs/dbraw/zinc/24/30/95/1322243095.db2.gz TYGJHMZRUGQLRY-ZDUSSCGKSA-N 0 3 338.448 3.136 20 10 EGCDHN C[C@H](NCc1ccc2c(c1)CCCO2)c1ccc2c(c1)CC(=O)N2C ZINC000921668693 1322375281 /nfs/dbraw/zinc/37/52/81/1322375281.db2.gz JCXFVSOMZMGHID-AWEZNQCLSA-N 0 3 336.435 3.381 20 10 EGCDHN COc1ncc(Br)cc1CN[C@H](C)c1ccccc1O ZINC000851896839 1323108709 /nfs/dbraw/zinc/10/87/09/1323108709.db2.gz LBCSZYROVRZSEE-SNVBAGLBSA-N 0 3 337.217 3.409 20 10 EGCDHN CCN(CC)c1ccc(CNC(=O)c2cccc3c2CNC3)cc1F ZINC000852804782 1323243193 /nfs/dbraw/zinc/24/31/93/1323243193.db2.gz GTQJEHBTUFRNIV-UHFFFAOYSA-N 0 3 341.430 3.205 20 10 EGCDHN CCC(O)(CC)C[N@H+](C)Cc1cc(Br)cc(OC)c1[O-] ZINC000862539013 1329493867 /nfs/dbraw/zinc/49/38/67/1329493867.db2.gz HLHAFYAZRKAZLC-UHFFFAOYSA-N 0 3 346.265 3.146 20 10 EGCDHN CCC(O)(CC)C[N@@H+](C)Cc1cc(Br)cc(OC)c1[O-] ZINC000862539013 1329493870 /nfs/dbraw/zinc/49/38/70/1329493870.db2.gz HLHAFYAZRKAZLC-UHFFFAOYSA-N 0 3 346.265 3.146 20 10 EGCDHN CCOc1ccc(C[NH2+]Cc2cc3c([nH]c2=O)CCCC3)c([O-])c1 ZINC000865879316 1329748332 /nfs/dbraw/zinc/74/83/32/1329748332.db2.gz LOKRICYRKSRWNT-UHFFFAOYSA-N 0 3 328.412 3.060 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@](C)(CO)CC2)c1[O-] ZINC001233107313 1376571229 /nfs/dbraw/zinc/57/12/29/1376571229.db2.gz XJEBEIGWHIGFNN-INIZCTEOSA-N 0 3 342.277 3.448 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@](C)(CO)CC2)c1[O-] ZINC001233107313 1376571231 /nfs/dbraw/zinc/57/12/31/1376571231.db2.gz XJEBEIGWHIGFNN-INIZCTEOSA-N 0 3 342.277 3.448 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@H](C)[C@H]2CO)c1[O-] ZINC001233106799 1376571367 /nfs/dbraw/zinc/57/13/67/1376571367.db2.gz OHEAJWAHZGBWDF-IINYFYTJSA-N 0 3 328.250 3.056 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@H](C)[C@H]2CO)c1[O-] ZINC001233106799 1376571372 /nfs/dbraw/zinc/57/13/72/1376571372.db2.gz OHEAJWAHZGBWDF-IINYFYTJSA-N 0 3 328.250 3.056 20 10 EGCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H](c2noc(C(F)(F)F)n2)C1 ZINC001203556176 1370168643 /nfs/dbraw/zinc/16/86/43/1370168643.db2.gz MKEJGJLABYCYDD-NSHDSACASA-N 0 3 327.306 3.174 20 10 EGCDHN [O-]c1ccccc1C[N@H+]1CCC[C@H](c2noc(C(F)(F)F)n2)C1 ZINC001203556176 1370168648 /nfs/dbraw/zinc/16/86/48/1370168648.db2.gz MKEJGJLABYCYDD-NSHDSACASA-N 0 3 327.306 3.174 20 10 EGCDHN O=C(NCC1CC1)[C@@H]1CCC2(C1)CC[NH+](Cc1ccccc1[O-])CC2 ZINC001203556368 1370168707 /nfs/dbraw/zinc/16/87/07/1370168707.db2.gz NWKXTIUORAJIBZ-QGZVFWFLSA-N 0 3 342.483 3.301 20 10 EGCDHN COc1ccc(C[NH+]2CCC(COc3cccnc3)CC2)c([O-])c1 ZINC001203621525 1370190146 /nfs/dbraw/zinc/19/01/46/1370190146.db2.gz WVHLFTCFEYAXQI-UHFFFAOYSA-N 0 3 328.412 3.087 20 10 EGCDHN COc1ccc(O)c(CN2CCN(c3c(C)cccc3C)CC2)c1 ZINC001203680857 1370215999 /nfs/dbraw/zinc/21/59/99/1370215999.db2.gz HOGUKOCMDQNSAD-UHFFFAOYSA-N 0 3 326.440 3.340 20 10 EGCDHN COCCOc1ccc(N2CCN(Cc3cccc(C)c3)CC2)cc1 ZINC001203892409 1370302888 /nfs/dbraw/zinc/30/28/88/1370302888.db2.gz KOJDQQCJWSRCLA-UHFFFAOYSA-N 0 3 340.467 3.342 20 10 EGCDHN COc1cc(O)c(CNCc2cnccc2C(F)(F)F)cc1OC ZINC001118611055 1371206548 /nfs/dbraw/zinc/20/65/48/1371206548.db2.gz VYGLHHUDSZKWDA-UHFFFAOYSA-N 0 3 342.317 3.113 20 10 EGCDHN CC[N@H+](CCOCCOCc1ccccc1)Cc1ccccc1[O-] ZINC001208750827 1371884497 /nfs/dbraw/zinc/88/44/97/1371884497.db2.gz RHEDOKBBXVLEMD-UHFFFAOYSA-N 0 3 329.440 3.448 20 10 EGCDHN CC[N@@H+](CCOCCOCc1ccccc1)Cc1ccccc1[O-] ZINC001208750827 1371884498 /nfs/dbraw/zinc/88/44/98/1371884498.db2.gz RHEDOKBBXVLEMD-UHFFFAOYSA-N 0 3 329.440 3.448 20 10 EGCDHN CC(=O)N1CCCN(Cc2ccc(-n3c(C)ccc3C)cc2)CC1 ZINC001209519020 1372126977 /nfs/dbraw/zinc/12/69/77/1372126977.db2.gz PZLCXIKNGSNMSS-UHFFFAOYSA-N 0 3 325.456 3.148 20 10 EGCDHN Cc1ccc(C)n1-c1ccc(CN2CCC[C@@]3(CNC(=O)O3)C2)cc1 ZINC001209519894 1372127473 /nfs/dbraw/zinc/12/74/73/1372127473.db2.gz JLXHYMSTBPSZEG-HXUWFJFHSA-N 0 3 339.439 3.169 20 10 EGCDHN C[C@@H]1CC[NH2+]CC[C@H]1Oc1c(O)c([O-])ccc1C(=O)c1ccccc1 ZINC001218025251 1373541349 /nfs/dbraw/zinc/54/13/49/1373541349.db2.gz RXUKHQQZKOQFKQ-CXAGYDPISA-N 0 3 341.407 3.096 20 10 EGCDHN COc1cc([O-])c(CN2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)cc1Cl ZINC001232271416 1376427513 /nfs/dbraw/zinc/42/75/13/1376427513.db2.gz MYAXLMSMCKTZMN-LSDHHAIUSA-N 0 3 342.842 3.062 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)c1[O-] ZINC001233110405 1376570483 /nfs/dbraw/zinc/57/04/83/1376570483.db2.gz DMLDGHRXAOHVBM-BXUZGUMPSA-N 0 3 338.245 3.264 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)c1[O-] ZINC001233110405 1376570487 /nfs/dbraw/zinc/57/04/87/1376570487.db2.gz DMLDGHRXAOHVBM-BXUZGUMPSA-N 0 3 338.245 3.264 20 10 EGCDHN Cc1cc(Br)cc(CN2C[C@H]3CCCC(=O)[C@@H]3C2)c1O ZINC001233110405 1376570490 /nfs/dbraw/zinc/57/04/90/1376570490.db2.gz DMLDGHRXAOHVBM-BXUZGUMPSA-N 0 3 338.245 3.264 20 10 EGCDHN CC(C)c1ccc(C[N@@H+]2CC[C@H](Oc3ncc(F)cn3)C2)c([O-])c1 ZINC001237052465 1376972160 /nfs/dbraw/zinc/97/21/60/1376972160.db2.gz ZZYQYYZSIFJOQB-INIZCTEOSA-N 0 3 331.391 3.098 20 10 EGCDHN CC(C)c1ccc(C[N@H+]2CC[C@H](Oc3ncc(F)cn3)C2)c([O-])c1 ZINC001237052465 1376972166 /nfs/dbraw/zinc/97/21/66/1376972166.db2.gz ZZYQYYZSIFJOQB-INIZCTEOSA-N 0 3 331.391 3.098 20 10 EGCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)cc1Br ZINC001237676232 1376982948 /nfs/dbraw/zinc/98/29/48/1376982948.db2.gz HHIIGGQZMJDWHD-LRDDRELGSA-N 0 3 340.261 3.464 20 10 EGCDHN Cc1cc([O-])c(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)cc1Br ZINC001237676232 1376982957 /nfs/dbraw/zinc/98/29/57/1376982957.db2.gz HHIIGGQZMJDWHD-LRDDRELGSA-N 0 3 340.261 3.464 20 10 EGCDHN COC(=O)Cc1ccc(C[NH+]2CCC3(CC[C@@H](F)C3)CC2)c([O-])c1 ZINC001249207841 1377072807 /nfs/dbraw/zinc/07/28/07/1377072807.db2.gz JTSRUARNJGOFTO-MRXNPFEDSA-N 0 3 335.419 3.212 20 10 EGCDHN Cc1nc(CN2CCC3(C[NH+](Cc4c([O-])cccc4F)C3)C2)cs1 ZINC001137835629 1377625443 /nfs/dbraw/zinc/62/54/43/1377625443.db2.gz LSRBPHCIXAQOOM-UHFFFAOYSA-N 0 3 347.459 3.004 20 10 EGCDHN CC(=O)N(C)[C@H]1CCN(Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001137859289 1377632497 /nfs/dbraw/zinc/63/24/97/1377632497.db2.gz RNCCWGRTPXKNAT-FQEVSTJZSA-N 0 3 325.456 3.147 20 10 EGCDHN Cc1c(CN2CCCN(C(=O)C3CCC3)CC2)c2ccccc2n1C ZINC001138257034 1377694749 /nfs/dbraw/zinc/69/47/49/1377694749.db2.gz SVFKLNQBVJWCES-UHFFFAOYSA-N 0 3 339.483 3.321 20 10 EGCDHN Cc1cc(CN(C)CCN(C)C(=O)OC(C)(C)C)ccc1N(C)C ZINC001139669603 1377930361 /nfs/dbraw/zinc/93/03/61/1377930361.db2.gz CYXLXOQLFVVTEK-UHFFFAOYSA-N 0 3 335.492 3.360 20 10 EGCDHN [O-]c1ccc(F)cc1C[NH+]1CCC2(C[C@H](OCC3CC3)CO2)CC1 ZINC001140053785 1377996527 /nfs/dbraw/zinc/99/65/27/1377996527.db2.gz DEJYUPOFYHLLFX-KRWDZBQOSA-N 0 3 335.419 3.081 20 10 EGCDHN O=C1OC2(CC[NH+](Cc3cc(F)ccc3[O-])CC2)c2ccccc21 ZINC001140055262 1377996798 /nfs/dbraw/zinc/99/67/98/1377996798.db2.gz POMBAYWFOGUCGV-UHFFFAOYSA-N 0 3 327.355 3.193 20 10 EGCDHN CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC001140055368 1377996893 /nfs/dbraw/zinc/99/68/93/1377996893.db2.gz SYBRQVJYRPPKHJ-HNNXBMFYSA-N 0 3 338.423 3.411 20 10 EGCDHN CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC001140055368 1377996894 /nfs/dbraw/zinc/99/68/94/1377996894.db2.gz SYBRQVJYRPPKHJ-HNNXBMFYSA-N 0 3 338.423 3.411 20 10 EGCDHN CC[N@H+](Cc1cc(F)ccc1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140058973 1377997925 /nfs/dbraw/zinc/99/79/25/1377997925.db2.gz ROYMMUGONAFFHA-OAHLLOKOSA-N 0 3 338.423 3.363 20 10 EGCDHN CC[N@@H+](Cc1cc(F)ccc1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140058973 1377997926 /nfs/dbraw/zinc/99/79/26/1377997926.db2.gz ROYMMUGONAFFHA-OAHLLOKOSA-N 0 3 338.423 3.363 20 10 EGCDHN CCN1CCN(c2ccc(CN3CCn4cccc4[C@@H]3C)cc2)CC1 ZINC001140305660 1378042911 /nfs/dbraw/zinc/04/29/11/1378042911.db2.gz FCUQBZHPCRSGGI-SFHVURJKSA-N 0 3 338.499 3.207 20 10 EGCDHN [O-]c1cccc(Cl)c1C[N@H+]1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001140338778 1378048733 /nfs/dbraw/zinc/04/87/33/1378048733.db2.gz PEJXSPBXVSENNM-IYBDPMFKSA-N 0 3 343.858 3.004 20 10 EGCDHN [O-]c1cccc(Cl)c1C[N@@H+]1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001140338778 1378048734 /nfs/dbraw/zinc/04/87/34/1378048734.db2.gz PEJXSPBXVSENNM-IYBDPMFKSA-N 0 3 343.858 3.004 20 10 EGCDHN CC(C)CN1CC[C@@]2(CCC[N@H+](Cc3cc(F)ccc3[O-])CC2)C1=O ZINC001273285305 1378094711 /nfs/dbraw/zinc/09/47/11/1378094711.db2.gz PZTZWDLZFKHUPJ-FQEVSTJZSA-N 0 3 348.462 3.392 20 10 EGCDHN CC(C)CN1CC[C@@]2(CCC[N@@H+](Cc3cc(F)ccc3[O-])CC2)C1=O ZINC001273285305 1378094714 /nfs/dbraw/zinc/09/47/14/1378094714.db2.gz PZTZWDLZFKHUPJ-FQEVSTJZSA-N 0 3 348.462 3.392 20 10 EGCDHN Cc1ccc(O)c(CN2CC[C@@H](F)[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001140623072 1378100475 /nfs/dbraw/zinc/10/04/75/1378100475.db2.gz LAYXZPXUTBZYRU-CABCVRRESA-N 0 3 338.423 3.138 20 10 EGCDHN CCN(Cc1ccccc1O)Cc1ccc(N2CCOCC2)cc1F ZINC001140664246 1378110160 /nfs/dbraw/zinc/11/01/60/1378110160.db2.gz DVYRPCVXLXAUHE-UHFFFAOYSA-N 0 3 344.430 3.390 20 10 EGCDHN Cc1c(O)ccc(CN2CCC(O)(c3ccccc3F)CC2)c1O ZINC001140746163 1378128315 /nfs/dbraw/zinc/12/83/15/1378128315.db2.gz VERUYPOKMYMHCV-UHFFFAOYSA-N 0 3 331.387 3.029 20 10 EGCDHN CC[C@@H]1N(Cc2ccc(N(C)C)cc2Cl)CCC[C@]12CCC(=O)N2 ZINC001140923928 1378181867 /nfs/dbraw/zinc/18/18/67/1378181867.db2.gz IOJZGDYLZJPTNC-HKUYNNGSSA-N 0 3 349.906 3.429 20 10 EGCDHN COC(=O)[C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccc(N(C)C)cc1Cl)C2 ZINC001140924123 1378182344 /nfs/dbraw/zinc/18/23/44/1378182344.db2.gz DWDJEYREVJURBK-NOLJZWGESA-N 0 3 336.863 3.180 20 10 EGCDHN Cc1ccc(CN2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)c(O)c1 ZINC001140950282 1378189888 /nfs/dbraw/zinc/18/98/88/1378189888.db2.gz PPRVDEUORHFKIC-INIZCTEOSA-N 0 3 342.487 3.314 20 10 EGCDHN Cc1ncccc1NC(=O)[C@H](C)NCc1ccc(N2CCCC2)cc1 ZINC001327500257 1388537253 /nfs/dbraw/zinc/53/72/53/1388537253.db2.gz VYINEMZMRJNQLU-INIZCTEOSA-N 0 3 338.455 3.107 20 10 EGCDHN CN1CCOc2cc(CN3CC[C@H](CC(=O)OC(C)(C)C)C3)ccc21 ZINC001141144993 1378248130 /nfs/dbraw/zinc/24/81/30/1378248130.db2.gz NQIXZOPIMSXXCQ-MRXNPFEDSA-N 0 3 346.471 3.069 20 10 EGCDHN COC(=O)c1cccc([C@@H]2CCCN2Cc2cc(O)ccc2O)c1 ZINC001141163288 1378255689 /nfs/dbraw/zinc/25/56/89/1378255689.db2.gz YVDJULGOCWJWJW-KRWDZBQOSA-N 0 3 327.380 3.222 20 10 EGCDHN CN1CCN(c2ccc(CN3CCc4ccccc4C3)cc2F)CC1 ZINC001322770718 1387236189 /nfs/dbraw/zinc/23/61/89/1387236189.db2.gz XEHLCHXCCRYGJP-UHFFFAOYSA-N 0 3 339.458 3.136 20 10 EGCDHN CCCN1CCCC[C@H]1C(=O)NCCCSc1nccs1 ZINC001322870075 1387249982 /nfs/dbraw/zinc/24/99/82/1387249982.db2.gz WTQMYYPQKQAWSY-ZDUSSCGKSA-N 0 3 327.519 3.006 20 10 EGCDHN OC1CCN(c2ccc(CN3CC(c4ccc(F)cc4)C3)cc2)CC1 ZINC001336756035 1389157633 /nfs/dbraw/zinc/15/76/33/1389157633.db2.gz ZLHNAVAPTZVHIT-UHFFFAOYSA-N 0 3 340.442 3.386 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+]CCC2CCOCC2)c1[O-] ZINC001337278874 1389292116 /nfs/dbraw/zinc/29/21/16/1389292116.db2.gz HRQGYMKGJPDMOK-UHFFFAOYSA-N 0 3 328.250 3.369 20 10 EGCDHN COc1ccc(CN[C@@H]2CCCc3cnn(C(C)C)c32)c(O)c1OC ZINC001333751900 1390392254 /nfs/dbraw/zinc/39/22/54/1390392254.db2.gz AZBRJEUVERQMJJ-OAHLLOKOSA-N 0 3 345.443 3.354 20 10 EGCDHN COc1ccc(CNC/C=C/CNC(=O)[C@H](C)C2CCC2)cc1C ZINC001754135261 1440543718 /nfs/dbraw/zinc/54/37/18/1440543718.db2.gz JPFBINGMXCJPSO-DWTRPJMMSA-N 0 3 330.472 3.202 20 10 EGCDHN COc1ccc(CNC/C=C\CNC(=O)[C@@H]2C[C@H]2C2CCC2)cc1C ZINC001754181689 1440548134 /nfs/dbraw/zinc/54/81/34/1440548134.db2.gz MNKYSHPYCCRDDM-RAEMOODJSA-N 0 3 342.483 3.202 20 10 EGCDHN CC(C)Oc1ccc([C@@H](O)C[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000297546615 202127138 /nfs/dbraw/zinc/12/71/38/202127138.db2.gz FIJADKVLXIRRQK-MJGOQNOKSA-N 0 3 327.424 3.490 20 10 EGCDHN CCOc1cc(CNCc2ccc3c(c2)CCCN3C)ccc1O ZINC000298316779 132389580 /nfs/dbraw/zinc/38/95/80/132389580.db2.gz IBMUPVZCKNCUTB-UHFFFAOYSA-N 0 3 326.440 3.463 20 10 EGCDHN Cc1cccc(CN[C@H](CO)c2ccc(Br)cc2)c1O ZINC000271797137 455763932 /nfs/dbraw/zinc/76/39/32/455763932.db2.gz IESXNVMZQRXPGY-OAHLLOKOSA-N 0 3 336.229 3.286 20 10 EGCDHN C[N@@H+]1CCC[C@@H]2CN(Cc3cc(Br)ccc3[O-])CC[C@H]21 ZINC000228183508 456121324 /nfs/dbraw/zinc/12/13/24/456121324.db2.gz TUYPNQAMPWNAKI-IUODEOHRSA-N 0 3 339.277 3.071 20 10 EGCDHN C[N@H+]1CCC[C@@H]2CN(Cc3cc(Br)ccc3[O-])CC[C@H]21 ZINC000228183508 456121327 /nfs/dbraw/zinc/12/13/27/456121327.db2.gz TUYPNQAMPWNAKI-IUODEOHRSA-N 0 3 339.277 3.071 20 10 EGCDHN CC[C@@H]([NH2+]CCn1ccnc1C)c1cc(Br)ccc1[O-] ZINC000274927758 456267574 /nfs/dbraw/zinc/26/75/74/456267574.db2.gz QELQYJHUTAITHW-CQSZACIVSA-N 0 3 338.249 3.401 20 10 EGCDHN CN(Cc1ccccc1N1CCCC1)Cc1cc2c(cc1O)OCO2 ZINC000007317605 453059668 /nfs/dbraw/zinc/05/96/68/453059668.db2.gz RMQMCBRWHMNPAG-UHFFFAOYSA-N 0 3 340.423 3.353 20 10 EGCDHN CN(C)Cc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000068525386 454034084 /nfs/dbraw/zinc/03/40/84/454034084.db2.gz JEAHPGYSFGNMIC-UHFFFAOYSA-N 0 3 325.456 3.086 20 10 EGCDHN Oc1cc2c(cc1CN(Cc1cccs1)C[C@H]1CCCO1)OCO2 ZINC000119607230 454207205 /nfs/dbraw/zinc/20/72/05/454207205.db2.gz KVLPYQPVEVQNPS-CQSZACIVSA-N 0 3 347.436 3.364 20 10 EGCDHN COc1cccc([C@H](C)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000119650811 454210866 /nfs/dbraw/zinc/21/08/66/454210866.db2.gz RLPNOLQJMGFLOB-INIZCTEOSA-N 0 3 326.440 3.383 20 10 EGCDHN CC(C)(C)OC(=O)N[C@@H]1CCCN(Cc2cc3c(cc2O)CCC3)C1 ZINC000097907395 454446150 /nfs/dbraw/zinc/44/61/50/454446150.db2.gz RQNVXGNNXFOHFA-QGZVFWFLSA-N 0 3 346.471 3.370 20 10 EGCDHN CCCOc1ccc(C[N@H+](CCC(N)=O)Cc2ccccc2)c([O-])c1 ZINC000122124044 454510460 /nfs/dbraw/zinc/51/04/60/454510460.db2.gz VAPHILXKPRCRKS-UHFFFAOYSA-N 0 3 342.439 3.059 20 10 EGCDHN CCCOc1ccc(C[N@@H+](CCC(N)=O)Cc2ccccc2)c([O-])c1 ZINC000122124044 454510463 /nfs/dbraw/zinc/51/04/63/454510463.db2.gz VAPHILXKPRCRKS-UHFFFAOYSA-N 0 3 342.439 3.059 20 10 EGCDHN CN(C)c1ccc(CN2CCC(NC(=O)c3ccsc3)CC2)cc1 ZINC000092484506 454572655 /nfs/dbraw/zinc/57/26/55/454572655.db2.gz LBRSESISDBIKOS-UHFFFAOYSA-N 0 3 343.496 3.209 20 10 EGCDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1ccccc1[O-] ZINC000109771186 454835203 /nfs/dbraw/zinc/83/52/03/454835203.db2.gz RAEASHMGADVHAY-UHFFFAOYSA-N 0 3 343.383 3.069 20 10 EGCDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1ccccc1[O-] ZINC000109771186 454835205 /nfs/dbraw/zinc/83/52/05/454835205.db2.gz RAEASHMGADVHAY-UHFFFAOYSA-N 0 3 343.383 3.069 20 10 EGCDHN CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCCCN1CC ZINC000111884377 454877400 /nfs/dbraw/zinc/87/74/00/454877400.db2.gz AXSOUWNCOVLGIQ-KRWDZBQOSA-N 0 3 333.476 3.188 20 10 EGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C2CCN(Cc3ccccn3)CC2)c1 ZINC000185053665 455493091 /nfs/dbraw/zinc/49/30/91/455493091.db2.gz QQTDPFHCYZXWPX-MRXNPFEDSA-N 0 3 325.456 3.411 20 10 EGCDHN COc1ccc(O)c([C@H](C)N[C@@H]2CCN(c3ccc(C)cc3)C2=O)c1 ZINC000182323842 455489275 /nfs/dbraw/zinc/48/92/75/455489275.db2.gz AAUWARXJKQWTGW-KBXCAEBGSA-N 0 3 340.423 3.165 20 10 EGCDHN CC(C)C(=O)NCCN[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000178222458 454942956 /nfs/dbraw/zinc/94/29/56/454942956.db2.gz YUQWKQJUZDEBMR-HNNXBMFYSA-N 0 3 335.467 3.239 20 10 EGCDHN COc1ccc(OC(F)F)c(CNCc2cccc(OC)c2O)c1 ZINC000114217032 454947417 /nfs/dbraw/zinc/94/74/17/454947417.db2.gz BBGLDOSZRYFDIL-UHFFFAOYSA-N 0 3 339.338 3.301 20 10 EGCDHN C[C@H](NC[C@@H](O)CC(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000178436695 454955299 /nfs/dbraw/zinc/95/52/99/454955299.db2.gz QIYZEOGTJMFDFV-HOCLYGCPSA-N 0 3 338.467 3.110 20 10 EGCDHN Cc1nn(C)cc1[C@@H](C)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000178723469 454969847 /nfs/dbraw/zinc/96/98/47/454969847.db2.gz JRMIGQRUSPVGEF-UONOGXRCSA-N 0 3 346.450 3.116 20 10 EGCDHN CCOCc1cc(CNC[C@@](C)(O)c2ccc(F)cc2)ccc1OC ZINC000179047083 455002528 /nfs/dbraw/zinc/00/25/28/455002528.db2.gz TUTFYQWBXBJEHF-HXUWFJFHSA-N 0 3 347.430 3.368 20 10 EGCDHN COc1cccc(C[NH2+]CCc2cc(Cl)c3c(c2)OCCO3)c1[O-] ZINC000237375195 455179072 /nfs/dbraw/zinc/17/90/72/455179072.db2.gz ZVUKRUNWPGRPRD-UHFFFAOYSA-N 0 3 349.814 3.158 20 10 EGCDHN Cc1ccc([C@H](C[NH2+][C@H](C)c2ccccc2[O-])N2CCOCC2)cc1 ZINC000183432899 455292814 /nfs/dbraw/zinc/29/28/14/455292814.db2.gz LWAHVJUBRZLKKC-XLIONFOSSA-N 0 3 340.467 3.425 20 10 EGCDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)Cc1ccccc1O ZINC000181061788 455282007 /nfs/dbraw/zinc/28/20/07/455282007.db2.gz GPJISMZJUUAWRK-MRXNPFEDSA-N 0 3 341.455 3.054 20 10 EGCDHN CCSc1cc(CNCc2cc(OC)c(OC)cc2O)ccn1 ZINC000190194942 455287828 /nfs/dbraw/zinc/28/78/28/455287828.db2.gz YEVAVWURCYWXEG-UHFFFAOYSA-N 0 3 334.441 3.206 20 10 EGCDHN C[C@H]([NH2+]Cc1cccc(CN2CCO[C@@H](C)C2)c1)c1ccccc1[O-] ZINC000183446124 455293350 /nfs/dbraw/zinc/29/33/50/455293350.db2.gz KKEFWDBLNSKLFN-IRXDYDNUSA-N 0 3 340.467 3.464 20 10 EGCDHN C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc2ccccc2c1[O-] ZINC000184983287 455481571 /nfs/dbraw/zinc/48/15/71/455481571.db2.gz NIFGRDLOBDIVDP-MRXNPFEDSA-N 0 3 341.499 3.222 20 10 EGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccccc2CS(C)(=O)=O)c1 ZINC000185649752 455589225 /nfs/dbraw/zinc/58/92/25/455589225.db2.gz JZMGYEHZTBFONG-CQSZACIVSA-N 0 3 333.453 3.096 20 10 EGCDHN COc1ccc([C@@H](CCO)N[C@H](C)c2cc(OC)ccc2O)cc1 ZINC000185826109 455629732 /nfs/dbraw/zinc/62/97/32/455629732.db2.gz KXERVTHKBNUHJW-FZKQIMNGSA-N 0 3 331.412 3.184 20 10 EGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCCO[C@@H]1CCOC1 ZINC000268245776 455629984 /nfs/dbraw/zinc/62/99/84/455629984.db2.gz AVSGDAKIYFXYKK-LJQANCHMSA-N 0 3 327.424 3.344 20 10 EGCDHN CCCOc1ccc(CN2CCOC[C@@H]2[C@H]2CCC[C@H]2OC)c(O)c1 ZINC000284791919 455742048 /nfs/dbraw/zinc/74/20/48/455742048.db2.gz ZFZATASQXCZBKW-QWFCFKBJSA-N 0 3 349.471 3.197 20 10 EGCDHN COC[C@H](NCc1cc2c(cc1O)OCO2)c1ccc(Cl)cc1 ZINC000193275318 455749987 /nfs/dbraw/zinc/74/99/87/455749987.db2.gz FBHKCABVTPZEDD-AWEZNQCLSA-N 0 3 335.787 3.252 20 10 EGCDHN Cc1cc(CN2CCC(N3CCCCC3=O)CC2)ccc1N(C)C ZINC000292850433 455763693 /nfs/dbraw/zinc/76/36/93/455763693.db2.gz QNPBVGYMGCGUBY-UHFFFAOYSA-N 0 3 329.488 3.038 20 10 EGCDHN C[C@H](c1ccc(F)cc1)N1CCC[C@@H]([NH2+]Cc2ccccc2[O-])C1=O ZINC000292969370 455768390 /nfs/dbraw/zinc/76/83/90/455768390.db2.gz KEXCFAIKXVDILE-RDTXWAMCSA-N 0 3 342.414 3.373 20 10 EGCDHN CC(=O)NCCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000293744485 455796391 /nfs/dbraw/zinc/79/63/91/455796391.db2.gz NTILYXCYVNMFQN-IBGZPJMESA-N 0 3 326.440 3.182 20 10 EGCDHN C[C@H](CCN1CCN(C)CC1)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000186600825 455803567 /nfs/dbraw/zinc/80/35/67/455803567.db2.gz URJBCQANEPUAHX-IAGOWNOFSA-N 0 3 341.499 3.222 20 10 EGCDHN CC[C@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)c1ccccc1[O-] ZINC000295114601 455838782 /nfs/dbraw/zinc/83/87/82/455838782.db2.gz MCXFYLZUIYSBPH-XUJLQICISA-N 0 3 325.474 3.036 20 10 EGCDHN COC[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])[C@H]1CCCO1 ZINC000278548534 455840742 /nfs/dbraw/zinc/84/07/42/455840742.db2.gz BFMWBZVRBPXJMV-AZUAARDMSA-N 0 3 327.424 3.343 20 10 EGCDHN CCN(CC)c1ccc(CNCc2ccc(NC(C)=O)nc2)cc1 ZINC000278607211 455841869 /nfs/dbraw/zinc/84/18/69/455841869.db2.gz IMZGBNBKKLCCHH-UHFFFAOYSA-N 0 3 326.444 3.176 20 10 EGCDHN CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000295999071 455865649 /nfs/dbraw/zinc/86/56/49/455865649.db2.gz ODBBCEJVYHAJSH-QGZVFWFLSA-N 0 3 330.472 3.396 20 10 EGCDHN C[C@H]1OCC[C@]12C[N@H+](Cc1cc(-c3ccccc3)ccc1[O-])CCO2 ZINC000279704474 455871350 /nfs/dbraw/zinc/87/13/50/455871350.db2.gz RPZNCTYCFWLTQS-IERDGZPVSA-N 0 3 339.435 3.439 20 10 EGCDHN C[C@H]1OCC[C@]12C[N@@H+](Cc1cc(-c3ccccc3)ccc1[O-])CCO2 ZINC000279704474 455871355 /nfs/dbraw/zinc/87/13/55/455871355.db2.gz RPZNCTYCFWLTQS-IERDGZPVSA-N 0 3 339.435 3.439 20 10 EGCDHN CC[C@H]([NH2+]Cc1cccnc1N1CCOCC1)c1ccc(C)cc1[O-] ZINC000279954629 455879021 /nfs/dbraw/zinc/87/90/21/455879021.db2.gz BYXSBSKUGRLGBS-SFHVURJKSA-N 0 3 341.455 3.173 20 10 EGCDHN CC[C@@H]([NH2+]CCNC(=O)c1ccccc1F)c1ccc(C)cc1[O-] ZINC000280247376 455926629 /nfs/dbraw/zinc/92/66/29/455926629.db2.gz WITMWGLHRQVNQZ-QGZVFWFLSA-N 0 3 330.403 3.310 20 10 EGCDHN COc1cccc(C[NH2+]CCCOCCOCc2ccccc2)c1[O-] ZINC000272556336 455992894 /nfs/dbraw/zinc/99/28/94/455992894.db2.gz MYVZFLJDBPZXMD-UHFFFAOYSA-N 0 3 345.439 3.114 20 10 EGCDHN CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296690700 456011052 /nfs/dbraw/zinc/01/10/52/456011052.db2.gz HDKVKMDVPPAWKP-RDJZCZTQSA-N 0 3 345.464 3.222 20 10 EGCDHN O=C1C[C@H](C[NH2+][C@H]2CCc3cccc([O-])c32)CN1Cc1ccccc1 ZINC000296736106 456023244 /nfs/dbraw/zinc/02/32/44/456023244.db2.gz JCORPTOSEUAPDX-AEFFLSMTSA-N 0 3 336.435 3.018 20 10 EGCDHN CC[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cccc(Cl)c1[O-] ZINC000287527937 456071516 /nfs/dbraw/zinc/07/15/16/456071516.db2.gz DNRMVIIEVABTGU-QGZVFWFLSA-N 0 3 339.911 3.112 20 10 EGCDHN C[C@@H]([NH2+]Cc1cc(F)ccc1N1CCOCC1)c1ccccc1[O-] ZINC000272923128 456114475 /nfs/dbraw/zinc/11/44/75/456114475.db2.gz YIFWQAUDSHKAGD-CQSZACIVSA-N 0 3 330.403 3.219 20 10 EGCDHN COc1cccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c1[O-] ZINC000289649645 456135432 /nfs/dbraw/zinc/13/54/32/456135432.db2.gz MSVZSIUWBOWAKD-QYZOEREBSA-N 0 3 339.435 3.405 20 10 EGCDHN COc1cccc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c1[O-] ZINC000289649645 456135439 /nfs/dbraw/zinc/13/54/39/456135439.db2.gz MSVZSIUWBOWAKD-QYZOEREBSA-N 0 3 339.435 3.405 20 10 EGCDHN Cc1ccc([O-])c(C[NH+]2CCC(C(=O)Nc3ccc(O)cc3)CC2)c1 ZINC000271177997 456156325 /nfs/dbraw/zinc/15/63/25/456156325.db2.gz NWWYGMMWCQMMAK-UHFFFAOYSA-N 0 3 340.423 3.257 20 10 EGCDHN CCCOc1ccc(C[NH2+][C@@H]2CCCc3[nH]c(=O)ccc32)c([O-])c1 ZINC000263666614 456187025 /nfs/dbraw/zinc/18/70/25/456187025.db2.gz IWDRECZKOLBGOZ-MRXNPFEDSA-N 0 3 328.412 3.449 20 10 EGCDHN C[C@H](CO)CCC[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000273141687 456191359 /nfs/dbraw/zinc/19/13/59/456191359.db2.gz FCBSLPSAZFDNIZ-INIZCTEOSA-N 0 3 329.440 3.469 20 10 EGCDHN Cc1ccc([C@@H](C)N[C@@H]2CCN(Cc3ccccc3)C2=O)c(O)c1C ZINC000273545475 456238183 /nfs/dbraw/zinc/23/81/83/456238183.db2.gz ZHCSZOKZVFHSDD-VQIMIIECSA-N 0 3 338.451 3.461 20 10 EGCDHN COc1ccc(C[C@](C)(O)C[NH2+][C@@H](C)c2ccccc2[O-])cc1OC ZINC000290192030 456263186 /nfs/dbraw/zinc/26/31/86/456263186.db2.gz OJKLOZYFDKUTFQ-XOBRGWDASA-N 0 3 345.439 3.054 20 10 EGCDHN C[C@@H](NCC1([S@@](C)=O)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000282150508 456427801 /nfs/dbraw/zinc/42/78/01/456427801.db2.gz CPVUNTSVOBQRFP-QKFKETGDSA-N 0 3 338.492 3.378 20 10 EGCDHN COc1cc([O-])c(C[NH2+]CC2(c3ccccn3)CCC2)cc1OC ZINC000368045332 458007081 /nfs/dbraw/zinc/00/70/81/458007081.db2.gz XXGBHPMPEUIALL-UHFFFAOYSA-N 0 3 328.412 3.016 20 10 EGCDHN COc1ccc(N2CCC([NH2+]Cc3cc(OC)ccc3[O-])CC2)cc1 ZINC000373143615 458409371 /nfs/dbraw/zinc/40/93/71/458409371.db2.gz XROXFPOPNFPNMW-UHFFFAOYSA-N 0 3 342.439 3.168 20 10 EGCDHN COc1ccc(C2(NCc3ccc(N4CCOCC4)cc3)CC2)cc1 ZINC000731678128 575199381 /nfs/dbraw/zinc/19/93/81/575199381.db2.gz GROZPVAAPHQFHJ-UHFFFAOYSA-N 0 3 338.451 3.311 20 10 EGCDHN CN(C)CCOc1ccc(N(C)Cc2cccc3c2OCCO3)cc1 ZINC000732410567 575268023 /nfs/dbraw/zinc/26/80/23/575268023.db2.gz DMJUIZHZZSYYGW-UHFFFAOYSA-N 0 3 342.439 3.035 20 10 EGCDHN Cc1cc(N(C)C)ccc1CNC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000734687720 575537278 /nfs/dbraw/zinc/53/72/78/575537278.db2.gz SQJDSFFARMIOIV-UHFFFAOYSA-N 0 3 346.519 3.077 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](Cc3ccc(F)cc3)C1)OCO2 ZINC000736594123 575988126 /nfs/dbraw/zinc/98/81/26/575988126.db2.gz JPUTYQMTXGJUCC-CQSZACIVSA-N 0 3 329.371 3.325 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](Cc3ccc(F)cc3)C1)OCO2 ZINC000736594123 575988127 /nfs/dbraw/zinc/98/81/27/575988127.db2.gz JPUTYQMTXGJUCC-CQSZACIVSA-N 0 3 329.371 3.325 20 10 EGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@H](CCC(N)=O)C3)c2c1 ZINC000066080512 1292106962 /nfs/dbraw/zinc/10/69/62/1292106962.db2.gz YVTWEKPJJJBSID-CQSZACIVSA-N 0 3 342.439 3.032 20 10 EGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@H](CCC(N)=O)C3)c2c1 ZINC000066080512 1292106966 /nfs/dbraw/zinc/10/69/66/1292106966.db2.gz YVTWEKPJJJBSID-CQSZACIVSA-N 0 3 342.439 3.032 20 10 EGCDHN COCCCOCC[N@H+](C)Cc1c([O-])ccc2ccc(OC)cc21 ZINC000091026220 1292809795 /nfs/dbraw/zinc/80/97/95/1292809795.db2.gz AFQOXVSSQIATND-UHFFFAOYSA-N 0 3 333.428 3.039 20 10 EGCDHN COCCCOCC[N@@H+](C)Cc1c([O-])ccc2ccc(OC)cc21 ZINC000091026220 1292809803 /nfs/dbraw/zinc/80/98/03/1292809803.db2.gz AFQOXVSSQIATND-UHFFFAOYSA-N 0 3 333.428 3.039 20 10 EGCDHN N#Cc1cccc(CNCc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000098173890 1292965667 /nfs/dbraw/zinc/96/56/67/1292965667.db2.gz TUWCCFHFSGWSTI-UHFFFAOYSA-N 0 3 335.451 3.057 20 10 EGCDHN Cc1ccc(C)c(OC[C@H](O)C[N@@H+](C)Cc2ccccc2[O-])c1C ZINC000111235774 1293102080 /nfs/dbraw/zinc/10/20/80/1293102080.db2.gz LJMNXTWTUKCHNW-GOSISDBHSA-N 0 3 329.440 3.189 20 10 EGCDHN Cc1ccc(C)c(OC[C@H](O)C[N@H+](C)Cc2ccccc2[O-])c1C ZINC000111235774 1293102082 /nfs/dbraw/zinc/10/20/82/1293102082.db2.gz LJMNXTWTUKCHNW-GOSISDBHSA-N 0 3 329.440 3.189 20 10 EGCDHN C[C@@H](NC[C@@H]1CC[C@@H](C)O1)c1ccc(N2CCOCC2)cc1Cl ZINC000834915981 1293176094 /nfs/dbraw/zinc/17/60/94/1293176094.db2.gz WDGZRLQTEPCVMO-FMKPAKJESA-N 0 3 338.879 3.395 20 10 EGCDHN CCNC(=O)C(C)(C)NCc1ccc(N(C)Cc2cccs2)cc1 ZINC000835076443 1293202372 /nfs/dbraw/zinc/20/23/72/1293202372.db2.gz QKENEIQKUUQNCA-UHFFFAOYSA-N 0 3 345.512 3.389 20 10 EGCDHN CC(C)C[C@@H](O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000122538615 1293416373 /nfs/dbraw/zinc/41/63/73/1293416373.db2.gz WIAPUWNVNYKLKJ-GOEBONIOSA-N 0 3 340.895 3.234 20 10 EGCDHN C[C@@H](CN1CCOCC1)[N@H+](Cc1ccccc1)Cc1ccccc1[O-] ZINC000179569782 1294805003 /nfs/dbraw/zinc/80/50/03/1294805003.db2.gz XAOBREICAUATPB-SFHVURJKSA-N 0 3 340.467 3.115 20 10 EGCDHN C[C@@H](CN1CCOCC1)[N@@H+](Cc1ccccc1)Cc1ccccc1[O-] ZINC000179569782 1294805011 /nfs/dbraw/zinc/80/50/11/1294805011.db2.gz XAOBREICAUATPB-SFHVURJKSA-N 0 3 340.467 3.115 20 10 EGCDHN C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)c1ccccc1[O-] ZINC000179896369 1294837632 /nfs/dbraw/zinc/83/76/32/1294837632.db2.gz AMMMUYXBVKTBPO-LLVKDONJSA-N 0 3 349.228 3.444 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCC(=O)N(C)[C@H]2CCCC[C@@H]2C)c1 ZINC000182371738 1295040806 /nfs/dbraw/zinc/04/08/06/1295040806.db2.gz RVCLRWQKXHOTEK-ZQIUZPCESA-N 0 3 334.460 3.089 20 10 EGCDHN COc1ccc(N2CCC(N[C@@H](c3nccn3C)C3CC3)CC2)cc1 ZINC000183266212 1295108239 /nfs/dbraw/zinc/10/82/39/1295108239.db2.gz RKJMOMDSWSBYKZ-LJQANCHMSA-N 0 3 340.471 3.138 20 10 EGCDHN C[C@@H]([NH2+]C[C@H](C)N1CCN(c2ccccc2)CC1)c1ccccc1[O-] ZINC000183417522 1295117049 /nfs/dbraw/zinc/11/70/49/1295117049.db2.gz PLOZKFQOHCOOGE-ZWKOTPCHSA-N 0 3 339.483 3.254 20 10 EGCDHN C[C@H]([NH2+]CC1(N2CCOCC2)CCCCC1)c1cc(F)ccc1[O-] ZINC000184858699 1295224876 /nfs/dbraw/zinc/22/48/76/1295224876.db2.gz ARKWFEMVPFBXHE-HNNXBMFYSA-N 0 3 336.451 3.217 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccccc2N2CCOCC2)c([O-])c1 ZINC000185188479 1295246913 /nfs/dbraw/zinc/24/69/13/1295246913.db2.gz RWUKJDXWSFLWQH-INIZCTEOSA-N 0 3 326.440 3.388 20 10 EGCDHN CCN(C)c1ccc([C@@H](C)N[C@H](C)C(=O)NCc2ccccc2)cc1 ZINC000247112284 1296383187 /nfs/dbraw/zinc/38/31/87/1296383187.db2.gz TXDVDVQDDBFATI-IAGOWNOFSA-N 0 3 339.483 3.498 20 10 EGCDHN COc1ccc(OC)c([C@H](O)[C@H](C)[NH2+][C@H](C)c2ccc(C)cc2[O-])c1 ZINC000872137159 1296762520 /nfs/dbraw/zinc/76/25/20/1296762520.db2.gz OFFKLDYMMRNHCT-LAPQFRIASA-N 0 3 345.439 3.491 20 10 EGCDHN CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000304060881 1296897797 /nfs/dbraw/zinc/89/77/97/1296897797.db2.gz OWSGYODIUBEVRS-BMIGLBTASA-N 0 3 346.265 3.050 20 10 EGCDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000323957005 1297204150 /nfs/dbraw/zinc/20/41/50/1297204150.db2.gz YPODDHLQCYEAEI-MRXNPFEDSA-N 0 3 338.455 3.255 20 10 EGCDHN COc1ccc(CNCc2ccc3c(c2)CCO3)cc1Cn1cccn1 ZINC000873035203 1297236736 /nfs/dbraw/zinc/23/67/36/1297236736.db2.gz DZIBGXPRWLSZMV-UHFFFAOYSA-N 0 3 349.434 3.165 20 10 EGCDHN NC(=O)c1cccc(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])c1 ZINC000725843841 1298372549 /nfs/dbraw/zinc/37/25/49/1298372549.db2.gz GCJWBOUEVBXVEQ-UHFFFAOYSA-N 0 3 332.403 3.448 20 10 EGCDHN CCOc1ccc(C[NH2+]Cc2ccccc2Cn2ccnc2)c([O-])c1 ZINC000725844969 1298374691 /nfs/dbraw/zinc/37/46/91/1298374691.db2.gz DOLFJPODDZMQGU-UHFFFAOYSA-N 0 3 337.423 3.326 20 10 EGCDHN Cc1ccc(C[N@H+]2C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)c([O-])c1 ZINC000876815245 1299009215 /nfs/dbraw/zinc/00/92/15/1299009215.db2.gz VVGPUIGMNXLBAF-LSDHHAIUSA-N 0 3 334.460 3.436 20 10 EGCDHN Cc1ccc(C[N@@H+]2C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)c([O-])c1 ZINC000876815245 1299009220 /nfs/dbraw/zinc/00/92/20/1299009220.db2.gz VVGPUIGMNXLBAF-LSDHHAIUSA-N 0 3 334.460 3.436 20 10 EGCDHN Cc1ccc(CNCc2cccnc2OCC(F)(F)F)c(O)c1 ZINC000876925936 1299069146 /nfs/dbraw/zinc/06/91/46/1299069146.db2.gz SIDJXIVDSSLXAX-UHFFFAOYSA-N 0 3 326.318 3.327 20 10 EGCDHN Cc1cccc([O-])c1C[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000877407831 1299285406 /nfs/dbraw/zinc/28/54/06/1299285406.db2.gz BOTVNCCGIRMGOB-UHFFFAOYSA-N 0 3 329.415 3.409 20 10 EGCDHN Cc1cccc(O)c1CNCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000877476947 1299327829 /nfs/dbraw/zinc/32/78/29/1299327829.db2.gz RGHMYAXBCBWPDM-UHFFFAOYSA-N 0 3 339.844 3.047 20 10 EGCDHN CC1(C)CN(Cc2ccc(N3CCC(O)CC3)cc2)[C@H]1[C@@H]1CCCO1 ZINC000877540080 1299382093 /nfs/dbraw/zinc/38/20/93/1299382093.db2.gz ROITUWQRUVHQCH-PMACEKPBSA-N 0 3 344.499 3.037 20 10 EGCDHN C[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1O ZINC000877756455 1299532321 /nfs/dbraw/zinc/53/23/21/1299532321.db2.gz JMBJHNOOBMKFRI-LLVKDONJSA-N 0 3 330.340 3.018 20 10 EGCDHN CCC[N@H+](CCC(=O)NCc1cnc(C)s1)Cc1ccccc1[O-] ZINC000878152713 1299780258 /nfs/dbraw/zinc/78/02/58/1299780258.db2.gz XSUVLRAMILUJRD-UHFFFAOYSA-N 0 3 347.484 3.076 20 10 EGCDHN CCC[N@@H+](CCC(=O)NCc1cnc(C)s1)Cc1ccccc1[O-] ZINC000878152713 1299780264 /nfs/dbraw/zinc/78/02/64/1299780264.db2.gz XSUVLRAMILUJRD-UHFFFAOYSA-N 0 3 347.484 3.076 20 10 EGCDHN Cc1cccc(OC[C@H](O)C[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)c1 ZINC000756453669 1300494816 /nfs/dbraw/zinc/49/48/16/1300494816.db2.gz HQMOPNWVLHBDCA-VBQJREDUSA-N 0 3 345.414 3.418 20 10 EGCDHN C[C@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccn2)c2c1c(F)ccc2[O-] ZINC000756477322 1300501275 /nfs/dbraw/zinc/50/12/75/1300501275.db2.gz AHRYLMOYGSNTNG-AAEUAGOBSA-N 0 3 329.375 3.093 20 10 EGCDHN COc1ccccc1[C@@H](C)N(C)C(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648552 1300647961 /nfs/dbraw/zinc/64/79/61/1300647961.db2.gz SYHYXJZHCYUSOP-HUUCEWRRSA-N 0 3 342.439 3.271 20 10 EGCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)N1CCc2sccc2C1 ZINC000879648766 1300649214 /nfs/dbraw/zinc/64/92/14/1300649214.db2.gz CUCUJBNBXIZRQH-CHWSQXEVSA-N 0 3 330.453 3.078 20 10 EGCDHN CC(=O)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648667 1300649852 /nfs/dbraw/zinc/64/98/52/1300649852.db2.gz YNLVQMVJDBEHDO-CHWSQXEVSA-N 0 3 326.396 3.273 20 10 EGCDHN Cc1cc2ncn(C[C@@H](O)C[NH2+][C@H](C)c3ccccc3[O-])c2cc1C ZINC000879649086 1300650330 /nfs/dbraw/zinc/65/03/30/1300650330.db2.gz LQBCNMZSLDOOLS-CVEARBPZSA-N 0 3 339.439 3.070 20 10 EGCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC[C@H](C)N2CCCCC2)c1 ZINC000757659127 1300705666 /nfs/dbraw/zinc/70/56/66/1300705666.db2.gz WSJRMIBAIGXYTP-GJZGRUSLSA-N 0 3 334.460 3.094 20 10 EGCDHN CC(C)[N@H+](Cc1ccc(F)cc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768440274 1302904143 /nfs/dbraw/zinc/90/41/43/1302904143.db2.gz PWCQWFJMLDNWNC-SFHVURJKSA-N 0 3 331.387 3.368 20 10 EGCDHN CC(C)[N@@H+](Cc1ccc(F)cc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768440274 1302904152 /nfs/dbraw/zinc/90/41/52/1302904152.db2.gz PWCQWFJMLDNWNC-SFHVURJKSA-N 0 3 331.387 3.368 20 10 EGCDHN Oc1cc2c(cc1CN1CCSC[C@@H]1c1ccccc1)[C@@H](O)CO2 ZINC000768444363 1302906482 /nfs/dbraw/zinc/90/64/82/1302906482.db2.gz AGMKFWXBUSDPMO-AEFFLSMTSA-N 0 3 343.448 3.108 20 10 EGCDHN COc1ccccc1[C@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768452842 1302909039 /nfs/dbraw/zinc/90/90/39/1302909039.db2.gz TWEUKYMBDTVEGW-AEFFLSMTSA-N 0 3 341.407 3.164 20 10 EGCDHN COc1ccccc1[C@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768452842 1302909049 /nfs/dbraw/zinc/90/90/49/1302909049.db2.gz TWEUKYMBDTVEGW-AEFFLSMTSA-N 0 3 341.407 3.164 20 10 EGCDHN Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1cc3c(cc1[O-])OC[C@H]3O)CCC2 ZINC000768449590 1302910018 /nfs/dbraw/zinc/91/00/18/1302910018.db2.gz WQCFROFOUFEJCE-GOEBONIOSA-N 0 3 346.452 3.092 20 10 EGCDHN Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cc3c(cc1[O-])OC[C@H]3O)CCC2 ZINC000768449590 1302910028 /nfs/dbraw/zinc/91/00/28/1302910028.db2.gz WQCFROFOUFEJCE-GOEBONIOSA-N 0 3 346.452 3.092 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+](CCc1ccc(F)cc1)C1CC1)[C@H](O)CO2 ZINC000768448682 1302910110 /nfs/dbraw/zinc/91/01/10/1302910110.db2.gz VIIMFFXNHSTEDD-LJQANCHMSA-N 0 3 343.398 3.164 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+](CCc1ccc(F)cc1)C1CC1)[C@H](O)CO2 ZINC000768448682 1302910119 /nfs/dbraw/zinc/91/01/19/1302910119.db2.gz VIIMFFXNHSTEDD-LJQANCHMSA-N 0 3 343.398 3.164 20 10 EGCDHN [O-]c1cc2c(cc1C[NH+]1CCC(c3ccc(F)cc3)CC1)[C@H](O)CO2 ZINC000768463470 1302910728 /nfs/dbraw/zinc/91/07/28/1302910728.db2.gz JOJGTINXPDOHCB-LJQANCHMSA-N 0 3 343.398 3.337 20 10 EGCDHN CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)C1(CC)CC ZINC000768463452 1302911215 /nfs/dbraw/zinc/91/12/15/1302911215.db2.gz JGSJPLJOAXIQBE-BHIYHBOVSA-N 0 3 349.471 3.234 20 10 EGCDHN CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)C1(CC)CC ZINC000768463452 1302911223 /nfs/dbraw/zinc/91/12/23/1302911223.db2.gz JGSJPLJOAXIQBE-BHIYHBOVSA-N 0 3 349.471 3.234 20 10 EGCDHN CC1(C)C[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)Cc2ccccc21 ZINC000768465691 1302913514 /nfs/dbraw/zinc/91/35/14/1302913514.db2.gz QBPFPHNHAOFKBJ-GOSISDBHSA-N 0 3 325.408 3.111 20 10 EGCDHN CC1(C)C[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)Cc2ccccc21 ZINC000768465691 1302913520 /nfs/dbraw/zinc/91/35/20/1302913520.db2.gz QBPFPHNHAOFKBJ-GOSISDBHSA-N 0 3 325.408 3.111 20 10 EGCDHN CC1(C)CN(Cc2cc3c(cc2O)OC[C@H]3O)Cc2ccccc21 ZINC000768465691 1302913524 /nfs/dbraw/zinc/91/35/24/1302913524.db2.gz QBPFPHNHAOFKBJ-GOSISDBHSA-N 0 3 325.408 3.111 20 10 EGCDHN CCCCCCNC(=O)[C@H]1CCC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000769202038 1303069273 /nfs/dbraw/zinc/06/92/73/1303069273.db2.gz LVBLBJRZOCNPNB-INIZCTEOSA-N 0 3 348.487 3.309 20 10 EGCDHN CCCCCCNC(=O)[C@H]1CCC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000769202038 1303069276 /nfs/dbraw/zinc/06/92/76/1303069276.db2.gz LVBLBJRZOCNPNB-INIZCTEOSA-N 0 3 348.487 3.309 20 10 EGCDHN CCN1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000769380566 1303102871 /nfs/dbraw/zinc/10/28/71/1303102871.db2.gz KGEAJKUJLKGTNF-MRXNPFEDSA-N 0 3 346.475 3.111 20 10 EGCDHN CC[N@@H+]1C[C@@H](C)N(Cc2cc(Br)ccc2[O-])C[C@H]1C ZINC000769465196 1303118584 /nfs/dbraw/zinc/11/85/84/1303118584.db2.gz DIJYBJVMLGODJX-VXGBXAGGSA-N 0 3 327.266 3.069 20 10 EGCDHN CC[N@H+]1C[C@@H](C)N(Cc2cc(Br)ccc2[O-])C[C@H]1C ZINC000769465196 1303118589 /nfs/dbraw/zinc/11/85/89/1303118589.db2.gz DIJYBJVMLGODJX-VXGBXAGGSA-N 0 3 327.266 3.069 20 10 EGCDHN CC[N@@H+]1CC[C@@H](N(C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H]1C ZINC000769470265 1303119355 /nfs/dbraw/zinc/11/93/55/1303119355.db2.gz KDBVWHINADDOHE-SMDDNHRTSA-N 0 3 341.839 3.258 20 10 EGCDHN CC[N@H+]1CC[C@@H](N(C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H]1C ZINC000769470265 1303119358 /nfs/dbraw/zinc/11/93/58/1303119358.db2.gz KDBVWHINADDOHE-SMDDNHRTSA-N 0 3 341.839 3.258 20 10 EGCDHN COCC[N@H+](CCCOc1ccc(F)cc1)Cc1ccccc1[O-] ZINC000770510863 1303280047 /nfs/dbraw/zinc/28/00/47/1303280047.db2.gz SRNHIYMKEVEIFE-UHFFFAOYSA-N 0 3 333.403 3.449 20 10 EGCDHN COCC[N@@H+](CCCOc1ccc(F)cc1)Cc1ccccc1[O-] ZINC000770510863 1303280052 /nfs/dbraw/zinc/28/00/52/1303280052.db2.gz SRNHIYMKEVEIFE-UHFFFAOYSA-N 0 3 333.403 3.449 20 10 EGCDHN CCN(C)c1ccc(CN2CCC(N3CCCCC3=O)CC2)cc1 ZINC000773765188 1303737678 /nfs/dbraw/zinc/73/76/78/1303737678.db2.gz IRWMCTIXTCGOEW-UHFFFAOYSA-N 0 3 329.488 3.120 20 10 EGCDHN CCN1C[C@@H](CN(C)Cc2cc(OC)ccc2O)Oc2ccccc21 ZINC000775647670 1304003723 /nfs/dbraw/zinc/00/37/23/1304003723.db2.gz XUHDFIUBDPBFHG-QGZVFWFLSA-N 0 3 342.439 3.120 20 10 EGCDHN C[C@@H](NC[C@@H]1CN(c2ccccc2)C(=O)O1)c1ccc(N(C)C)cc1 ZINC000775834357 1304046360 /nfs/dbraw/zinc/04/63/60/1304046360.db2.gz SIAIQCCJFNBUKH-DNVCBOLYSA-N 0 3 339.439 3.429 20 10 EGCDHN CCO[C@@H]1C[C@H]([NH2+]Cc2c([O-])cccc2OC)[C@H]1Oc1ccccc1 ZINC000776007190 1304078520 /nfs/dbraw/zinc/07/85/20/1304078520.db2.gz MDYAJZYZYRUHFN-PWIZWCRZSA-N 0 3 343.423 3.115 20 10 EGCDHN CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000776217963 1304115746 /nfs/dbraw/zinc/11/57/46/1304115746.db2.gz CSYMZIQHCGAQCI-YGRLFVJLSA-N 0 3 330.266 3.350 20 10 EGCDHN O=C(NC1CC[NH+](Cc2cc(F)ccc2[O-])CC1)c1ccc(F)cc1 ZINC000778996499 1304516405 /nfs/dbraw/zinc/51/64/05/1304516405.db2.gz RNDHQEVIBZMVLS-UHFFFAOYSA-N 0 3 346.377 3.065 20 10 EGCDHN COCCOC[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000779036447 1304521511 /nfs/dbraw/zinc/52/15/11/1304521511.db2.gz OIQWPCYPGJGHJA-RYUDHWBXSA-N 0 3 346.265 3.165 20 10 EGCDHN Cc1cc(CN[C@H](C)c2cc(Br)cc(C)c2O)ncn1 ZINC000779038169 1304522112 /nfs/dbraw/zinc/52/21/12/1304522112.db2.gz JUSNDEYTEJJJPF-LLVKDONJSA-N 0 3 336.233 3.412 20 10 EGCDHN COc1ccc(C2([NH2+]Cc3cc(F)ccc3[O-])CCOCC2)cc1 ZINC000779081380 1304526747 /nfs/dbraw/zinc/52/67/47/1304526747.db2.gz URLCWOGAFVCIHU-UHFFFAOYSA-N 0 3 331.387 3.335 20 10 EGCDHN COc1cc(Br)cc(C[NH2+][C@H](C)[C@@H]2CCCOC2)c1[O-] ZINC000779985376 1304628768 /nfs/dbraw/zinc/62/87/68/1304628768.db2.gz COTPYSZUYWDOMD-GHMZBOCLSA-N 0 3 344.249 3.068 20 10 EGCDHN Cc1oc(C)c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1C ZINC000891252069 1305000853 /nfs/dbraw/zinc/00/08/53/1305000853.db2.gz FRLXJCPWBLQTSI-GOSISDBHSA-N 0 3 343.471 3.304 20 10 EGCDHN Cc1cc(N2CCC([NH2+][C@H]3C[C@H](C)c4c3c([O-])ccc4F)CC2)n[nH]1 ZINC000784056409 1305183835 /nfs/dbraw/zinc/18/38/35/1305183835.db2.gz LLIYUALDVFWCDK-NHYWBVRUSA-N 0 3 344.434 3.370 20 10 EGCDHN C[C@H](NCCOCC(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000788259603 1305909578 /nfs/dbraw/zinc/90/95/78/1305909578.db2.gz NKMQKMMZSWTLKY-LBPRGKRZSA-N 0 3 348.821 3.109 20 10 EGCDHN COc1cc(C)cc(CNCc2ccc(OCC3CC3)nc2)c1O ZINC000894216167 1306283982 /nfs/dbraw/zinc/28/39/82/1306283982.db2.gz IXXPLZSTEWIVIN-UHFFFAOYSA-N 0 3 328.412 3.183 20 10 EGCDHN CN1CCC([N@H+](Cc2ccco2)Cc2cc(F)cc(F)c2[O-])CC1 ZINC000894781292 1309068160 /nfs/dbraw/zinc/06/81/60/1309068160.db2.gz FVRWHGAGNHLHJO-UHFFFAOYSA-N 0 3 336.382 3.360 20 10 EGCDHN CN1CCC([N@@H+](Cc2ccco2)Cc2cc(F)cc(F)c2[O-])CC1 ZINC000894781292 1309068170 /nfs/dbraw/zinc/06/81/70/1309068170.db2.gz FVRWHGAGNHLHJO-UHFFFAOYSA-N 0 3 336.382 3.360 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+]CCO[C@H]2CCCCO2)c1[O-] ZINC000894797861 1309076977 /nfs/dbraw/zinc/07/69/77/1309076977.db2.gz AJPOTFHFQMIDOY-AWEZNQCLSA-N 0 3 344.249 3.096 20 10 EGCDHN CCO[C@@H]1C[C@H](NCc2ccc(N(C)C)cc2C(F)(F)F)[C@H]1OC ZINC000793080902 1309293393 /nfs/dbraw/zinc/29/33/93/1309293393.db2.gz XCGZYXJXQSHEIT-ARFHVFGLSA-N 0 3 346.393 3.053 20 10 EGCDHN CCCOc1cc(C[NH2+]Cc2ccc(OC)cc2[O-])ccc1OC ZINC000793389055 1309361154 /nfs/dbraw/zinc/36/11/54/1309361154.db2.gz UOUJSKZKVUGWPN-UHFFFAOYSA-N 0 3 331.412 3.488 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+]C2(CN(C)C)CCC2)c1[O-] ZINC000798960522 1310465322 /nfs/dbraw/zinc/46/53/22/1310465322.db2.gz HSTXHGPRLRNVSC-UHFFFAOYSA-N 0 3 327.266 3.037 20 10 EGCDHN CC1(C)CN(Cc2cc3c(cc2O)OCO3)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000799577169 1310580668 /nfs/dbraw/zinc/58/06/68/1310580668.db2.gz OBGPPGAVAHGECA-AFBRZQFHSA-N 0 3 345.439 3.291 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]CCOC2CCSCC2)c1[O-] ZINC000898438544 1310734877 /nfs/dbraw/zinc/73/48/77/1310734877.db2.gz BDSMYQIPCHAOEG-UHFFFAOYSA-N 0 3 331.865 3.056 20 10 EGCDHN COC[C@@]1(C)CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000824576646 1320267242 /nfs/dbraw/zinc/26/72/42/1320267242.db2.gz PYWIHQWWYYESFH-IBGZPJMESA-N 0 3 347.459 3.444 20 10 EGCDHN Cc1cc(C(F)(F)F)nn1CC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000903164392 1317666558 /nfs/dbraw/zinc/66/65/58/1317666558.db2.gz MYVJDWAPMQIBJC-SNVBAGLBSA-N 0 3 331.313 3.406 20 10 EGCDHN CN(C)C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(F)cc1 ZINC000808426141 1317675739 /nfs/dbraw/zinc/67/57/39/1317675739.db2.gz PPCJWNXSDDNXBT-GOSISDBHSA-N 0 3 333.426 3.423 20 10 EGCDHN CCN(CC)c1ccc(CN[C@@H]2COc3ccccc3[C@H]2O)cc1 ZINC000808454849 1317680451 /nfs/dbraw/zinc/68/04/51/1317680451.db2.gz UCOGDADMZLWCTD-UYAOXDASSA-N 0 3 326.440 3.117 20 10 EGCDHN CCN1CCC[C@H](N[C@@H](C)c2ccc(N3CCCCC3)cc2)C1=O ZINC000903393161 1317695766 /nfs/dbraw/zinc/69/57/66/1317695766.db2.gz HWDVSTOFEXBWKN-LPHOPBHVSA-N 0 3 329.488 3.338 20 10 EGCDHN CN(C)c1ccc([C@@H](C[NH2+][C@H]2CCc3cccc([O-])c32)N(C)C)cc1 ZINC000903447842 1317700753 /nfs/dbraw/zinc/70/07/53/1317700753.db2.gz CZBYYUAHHLANNS-RBUKOAKNSA-N 0 3 339.483 3.338 20 10 EGCDHN C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1cc(Br)ccc1[O-] ZINC000809724456 1317878715 /nfs/dbraw/zinc/87/87/15/1317878715.db2.gz KSOHSRBRAKCZQP-WFASDCNBSA-N 0 3 339.277 3.213 20 10 EGCDHN COc1ccc(CN[C@H]2CC(=O)N(c3ccccc3F)C2)cc1C ZINC000812782691 1318454032 /nfs/dbraw/zinc/45/40/32/1318454032.db2.gz DMTPCBMHWKLAQS-HNNXBMFYSA-N 0 3 328.387 3.038 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN2CC(F)F)c2c1c(F)ccc2[O-] ZINC000858478890 1328774708 /nfs/dbraw/zinc/77/47/08/1328774708.db2.gz DDVLYSRKUZEQLO-WZRBSPASSA-N 0 3 328.378 3.399 20 10 EGCDHN Cc1ccc(C(=O)N(CC[NH+]2CCCCCC2)C2CCC2)c([O-])c1O ZINC000813637300 1318612382 /nfs/dbraw/zinc/61/23/82/1318612382.db2.gz LCOGJVGGRQJZEH-UHFFFAOYSA-N 0 3 346.471 3.277 20 10 EGCDHN CCC(CC)(C[NH2+]Cc1cc(Br)cc(OC)c1[O-])OC ZINC000813792965 1318633603 /nfs/dbraw/zinc/63/36/03/1318633603.db2.gz FJEJXNMPDSCXJY-UHFFFAOYSA-N 0 3 346.265 3.458 20 10 EGCDHN NC(=O)CC1(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])CC1 ZINC000817586214 1319405806 /nfs/dbraw/zinc/40/58/06/1319405806.db2.gz MEXUUGRDGVUADG-SFHVURJKSA-N 0 3 338.451 3.311 20 10 EGCDHN C[C@@H]1CN(Cc2cc(Br)ccc2[O-])CC[N@@H+](C2CC2)C1 ZINC000824445659 1320258850 /nfs/dbraw/zinc/25/88/50/1320258850.db2.gz JOQVNPKIKGXACV-GFCCVEGCSA-N 0 3 339.277 3.071 20 10 EGCDHN C[C@@H]1CN(Cc2cc(Br)ccc2[O-])CC[N@H+](C2CC2)C1 ZINC000824445659 1320258854 /nfs/dbraw/zinc/25/88/54/1320258854.db2.gz JOQVNPKIKGXACV-GFCCVEGCSA-N 0 3 339.277 3.071 20 10 EGCDHN CCN1CC[C@@H]([N@H+](C)Cc2ccc(Br)cc2[O-])C[C@H]1C ZINC000824855921 1320291736 /nfs/dbraw/zinc/29/17/36/1320291736.db2.gz SAIHTHCMAALNQU-IUODEOHRSA-N 0 3 341.293 3.459 20 10 EGCDHN CCN1CC[C@@H]([N@@H+](C)Cc2ccc(Br)cc2[O-])C[C@H]1C ZINC000824855921 1320291740 /nfs/dbraw/zinc/29/17/40/1320291740.db2.gz SAIHTHCMAALNQU-IUODEOHRSA-N 0 3 341.293 3.459 20 10 EGCDHN COc1ccc(CN[C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)cc1C ZINC000825118909 1320313020 /nfs/dbraw/zinc/31/30/20/1320313020.db2.gz YUZAUVWDWRBRSR-NZSAHSFTSA-N 0 3 343.471 3.487 20 10 EGCDHN COc1cccc(CNCc2cccc(F)c2OC(F)F)c1O ZINC000825916352 1320371107 /nfs/dbraw/zinc/37/11/07/1320371107.db2.gz MPSLSSLQTNVTAZ-UHFFFAOYSA-N 0 3 327.302 3.431 20 10 EGCDHN CN(Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CC1(Cl)Cl ZINC000838528098 1320788249 /nfs/dbraw/zinc/78/82/49/1320788249.db2.gz BTXVMIVGJSJCNM-AWEZNQCLSA-N 0 3 329.271 3.149 20 10 EGCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC4(CC3)OCCCO4)c2c1 ZINC000840087653 1321025182 /nfs/dbraw/zinc/02/51/82/1321025182.db2.gz ZBKSABYGMVYSTB-UHFFFAOYSA-N 0 3 343.423 3.283 20 10 EGCDHN Cc1nccn1-c1ccc(CNCc2ccc(N(C)C)cc2C)cn1 ZINC000840929105 1321179825 /nfs/dbraw/zinc/17/98/25/1321179825.db2.gz FXNNYZUVGDGBCZ-UHFFFAOYSA-N 0 3 335.455 3.240 20 10 EGCDHN COc1ccc([C@H](CN(C)C)NCc2ccc(N(C)C)cc2C)cc1 ZINC000840943715 1321182539 /nfs/dbraw/zinc/18/25/39/1321182539.db2.gz JIYHOQGTQDHPEP-NRFANRHFSA-N 0 3 341.499 3.462 20 10 EGCDHN CCOc1ccc(C[NH2+][C@@H](COC(N)=O)Cc2ccccc2)c([O-])c1 ZINC000840962552 1321187867 /nfs/dbraw/zinc/18/78/67/1321187867.db2.gz RQJRGBZXNUGKOB-MRXNPFEDSA-N 0 3 344.411 3.001 20 10 EGCDHN Cc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(N)cc2)c1 ZINC000841301370 1321249655 /nfs/dbraw/zinc/24/96/55/1321249655.db2.gz MVYMSFHKLWNNNS-UHFFFAOYSA-N 0 3 326.444 3.173 20 10 EGCDHN C[C@@H](NCC(=O)N[C@H](C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000859258993 1328956127 /nfs/dbraw/zinc/95/61/27/1328956127.db2.gz ZDFNGRDVALFSSE-HZPDHXFCSA-N 0 3 325.456 3.281 20 10 EGCDHN CC[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])C(=O)NCc1cccs1 ZINC000842911057 1321448495 /nfs/dbraw/zinc/44/84/95/1321448495.db2.gz WNMVAIPSNLEBEE-IAQYHMDHSA-N 0 3 336.432 3.338 20 10 EGCDHN CCC[N@H+](Cc1cccc(Br)c1[O-])C1CCNCC1 ZINC000843044192 1321460685 /nfs/dbraw/zinc/46/06/85/1321460685.db2.gz GMKHAQLLBHDWSR-UHFFFAOYSA-N 0 3 327.266 3.119 20 10 EGCDHN CCC[N@@H+](Cc1cccc(Br)c1[O-])C1CCNCC1 ZINC000843044192 1321460686 /nfs/dbraw/zinc/46/06/86/1321460686.db2.gz GMKHAQLLBHDWSR-UHFFFAOYSA-N 0 3 327.266 3.119 20 10 EGCDHN CC[C@H]1CN(Cc2cc(C)cc(Br)c2[O-])CC[C@H]1[NH3+] ZINC000843051958 1321462314 /nfs/dbraw/zinc/46/23/14/1321462314.db2.gz JDXSOUNFYQQZQU-SMDDNHRTSA-N 0 3 327.266 3.022 20 10 EGCDHN C[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000845988775 1321761432 /nfs/dbraw/zinc/76/14/32/1321761432.db2.gz BAWSBOOYZQNFKR-KGLIPLIRSA-N 0 3 333.453 3.250 20 10 EGCDHN Oc1ccccc1CN(C[C@@H]1CCCO1)CC1(Br)CC1 ZINC000846825803 1321812942 /nfs/dbraw/zinc/81/29/42/1321812942.db2.gz WNDJNQWQRPQXBQ-AWEZNQCLSA-N 0 3 340.261 3.301 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)C2(CO)CC2)c1[O-] ZINC000850516542 1322260078 /nfs/dbraw/zinc/26/00/78/1322260078.db2.gz WYJPWXQOPNLIFX-GHMZBOCLSA-N 0 3 328.250 3.275 20 10 EGCDHN COc1ccc(N2C[C@@H]([NH2+][C@H](C)c3ccc(C)cc3[O-])CC2=O)cc1 ZINC000850516254 1322260239 /nfs/dbraw/zinc/26/02/39/1322260239.db2.gz UBXWWNOEYASKKE-CABCVRRESA-N 0 3 340.423 3.165 20 10 EGCDHN C[C@H]([NH2+]Cc1ccc(N2CCCNC2=O)cc1)c1cc(F)ccc1[O-] ZINC000850574325 1322271036 /nfs/dbraw/zinc/27/10/36/1322271036.db2.gz DJZFIAHMIJCACI-ZDUSSCGKSA-N 0 3 343.402 3.302 20 10 EGCDHN COc1ccc([C@@H](CN(C)C)NCc2ccc3c(c2)CCCO3)cc1 ZINC000922113413 1322458517 /nfs/dbraw/zinc/45/85/17/1322458517.db2.gz LXQSEHXPBKMYLK-HXUWFJFHSA-N 0 3 340.467 3.413 20 10 EGCDHN Cc1cc(CN2CC[C@@H](N3CCOC3=O)C2)ccc1N1CCCCC1 ZINC000852442235 1323192807 /nfs/dbraw/zinc/19/28/07/1323192807.db2.gz JZMHZNSKEHHMSN-GOSISDBHSA-N 0 3 343.471 3.012 20 10 EGCDHN CC[C@@H]([NH2+]CCc1ccccc1S(C)(=O)=O)c1ccccc1[O-] ZINC000926907484 1327769105 /nfs/dbraw/zinc/76/91/05/1327769105.db2.gz JTPPCRUTAMUHPF-MRXNPFEDSA-N 0 3 333.453 3.079 20 10 EGCDHN CCC[NH+]1CCC(N(C)Cc2c([O-])cccc2Br)CC1 ZINC000862229329 1329468310 /nfs/dbraw/zinc/46/83/10/1329468310.db2.gz DJTOJUDWPLNFEA-UHFFFAOYSA-N 0 3 341.293 3.461 20 10 EGCDHN CCOc1ccc(CN2Cc3ccccc3[C@@H](C(=O)OC)C2)c(O)c1 ZINC000862536927 1329493809 /nfs/dbraw/zinc/49/38/09/1329493809.db2.gz OKHOHGWTMKSQQX-SFHVURJKSA-N 0 3 341.407 3.063 20 10 EGCDHN CCOc1ccc(O)c(CN(C)C[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000862540706 1329494210 /nfs/dbraw/zinc/49/42/10/1329494210.db2.gz KIMJJHVFRHFHIO-ZDUSSCGKSA-N 0 3 338.448 3.136 20 10 EGCDHN CN(Cc1cccn1C1CC1)Cc1ccc(N2CCOCC2)cc1 ZINC001324426590 1387621571 /nfs/dbraw/zinc/62/15/71/1387621571.db2.gz XTIQKXFNDCRKBV-UHFFFAOYSA-N 0 3 325.456 3.292 20 10 EGCDHN COCCOc1ncccc1CN[C@@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001325339946 1387941083 /nfs/dbraw/zinc/94/10/83/1387941083.db2.gz MESQAUNSHDYMAJ-GDBMZVCRSA-N 0 3 342.439 3.459 20 10 EGCDHN O=C1C[C@@]2(CC[N@@H+](Cc3ccccc3[O-])C2)CN1c1ccc(F)cc1 ZINC001203551687 1370166859 /nfs/dbraw/zinc/16/68/59/1370166859.db2.gz KKTJNFJYNJLAIU-HXUWFJFHSA-N 0 3 340.398 3.160 20 10 EGCDHN O=C1C[C@@]2(CC[N@H+](Cc3ccccc3[O-])C2)CN1c1ccc(F)cc1 ZINC001203551687 1370166862 /nfs/dbraw/zinc/16/68/62/1370166862.db2.gz KKTJNFJYNJLAIU-HXUWFJFHSA-N 0 3 340.398 3.160 20 10 EGCDHN Cc1cccc(N2C[C@]3(CC[N@H+](Cc4ccccc4[O-])C3)CC2=O)c1 ZINC001203552678 1370167786 /nfs/dbraw/zinc/16/77/86/1370167786.db2.gz QCVFSZLAMQOTCG-OAQYLSRUSA-N 0 3 336.435 3.330 20 10 EGCDHN Cc1cccc(N2C[C@]3(CC[N@@H+](Cc4ccccc4[O-])C3)CC2=O)c1 ZINC001203552678 1370167789 /nfs/dbraw/zinc/16/77/89/1370167789.db2.gz QCVFSZLAMQOTCG-OAQYLSRUSA-N 0 3 336.435 3.330 20 10 EGCDHN CCOc1cccc(CN2CCC(Oc3ccccn3)CC2)c1O ZINC001203609445 1370187027 /nfs/dbraw/zinc/18/70/27/1370187027.db2.gz TYZZLUDJJAMBCW-UHFFFAOYSA-N 0 3 328.412 3.229 20 10 EGCDHN COc1ccc(CN2CCN(c3ccc(F)cc3C)CC2)c(O)c1 ZINC001203634801 1370195400 /nfs/dbraw/zinc/19/54/00/1370195400.db2.gz WEOZUFYBTLTPPA-UHFFFAOYSA-N 0 3 330.403 3.171 20 10 EGCDHN CN(C)c1ccc(CN2CCC(Oc3cc(Cl)ncn3)CC2)cc1 ZINC001203934116 1370321655 /nfs/dbraw/zinc/32/16/55/1370321655.db2.gz NIOGAFSGSKJVQC-UHFFFAOYSA-N 0 3 346.862 3.239 20 10 EGCDHN CCN(CC)c1ccc(CN2CC[C@H](Oc3nccc(C)n3)C2)cc1 ZINC001203946052 1370325167 /nfs/dbraw/zinc/32/51/67/1370325167.db2.gz SKUIBVJBBVMFSR-IBGZPJMESA-N 0 3 340.471 3.285 20 10 EGCDHN CC(C)(C)OC(=O)N1CCC12CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001204276579 1370429075 /nfs/dbraw/zinc/42/90/75/1370429075.db2.gz NMRWCFIBCZYVEY-UHFFFAOYSA-N 0 3 348.443 3.073 20 10 EGCDHN COc1cc(Br)cc(CN2CCC[C@@H](F)CC2)c1O ZINC001204336231 1370447523 /nfs/dbraw/zinc/44/75/23/1370447523.db2.gz IBFBHZXHWIVFFM-GFCCVEGCSA-N 0 3 332.213 3.487 20 10 EGCDHN CCCN1CCCC[C@@H]1C(=O)NCc1ccc(N(CC)CC)cc1 ZINC001115917719 1370805288 /nfs/dbraw/zinc/80/52/88/1370805288.db2.gz CJKIPGXUPVEZQV-LJQANCHMSA-N 0 3 331.504 3.414 20 10 EGCDHN CC[N@H+](CCC1CN(C(=O)OC(C)(C)C)C1)Cc1ccccc1[O-] ZINC001207770018 1371499073 /nfs/dbraw/zinc/49/90/73/1371499073.db2.gz LOVSWMVCKLLGOL-UHFFFAOYSA-N 0 3 334.460 3.471 20 10 EGCDHN CC[N@@H+](CCC1CN(C(=O)OC(C)(C)C)C1)Cc1ccccc1[O-] ZINC001207770018 1371499076 /nfs/dbraw/zinc/49/90/76/1371499076.db2.gz LOVSWMVCKLLGOL-UHFFFAOYSA-N 0 3 334.460 3.471 20 10 EGCDHN CCN(CCN(C)Cc1ccc(N(C)C)cc1)C(=O)OC(C)(C)C ZINC001208578108 1371825574 /nfs/dbraw/zinc/82/55/74/1371825574.db2.gz KHUXWEIGWOKGEB-UHFFFAOYSA-N 0 3 335.492 3.441 20 10 EGCDHN CCOc1ccc(N2CCN(CCCC(C)(C)OC(C)=O)CC2)cc1 ZINC001209159008 1372018716 /nfs/dbraw/zinc/01/87/16/1372018716.db2.gz OCSWVRDSDGBNSE-UHFFFAOYSA-N 0 3 348.487 3.329 20 10 EGCDHN CC(=O)N(C)[C@H]1CCN(Cc2ccc(-n3c(C)ccc3C)cc2)C1 ZINC001209520460 1372127951 /nfs/dbraw/zinc/12/79/51/1372127951.db2.gz XSNLIPOWCXLWQU-FQEVSTJZSA-N 0 3 325.456 3.147 20 10 EGCDHN Cc1cc([O-])c(CN2CC[C@@]3(C2)CCCC[NH2+]3)cc1Br ZINC001222435027 1373844129 /nfs/dbraw/zinc/84/41/29/1373844129.db2.gz NZEFGASTRIUXDX-MRXNPFEDSA-N 0 3 339.277 3.181 20 10 EGCDHN Cc1cccc(CN2CCCC23CN(C(=O)OC(C)(C)C)C3)c1O ZINC001231592453 1376274217 /nfs/dbraw/zinc/27/42/17/1376274217.db2.gz RFODJTQZGFKRMF-UHFFFAOYSA-N 0 3 332.444 3.286 20 10 EGCDHN CCOC(=O)NC1CC[NH+](Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC001231871989 1376333675 /nfs/dbraw/zinc/33/36/75/1376333675.db2.gz UMBIJRADNSUCJL-UHFFFAOYSA-N 0 3 326.824 3.065 20 10 EGCDHN CCN1CCc2cc(O[C@H]3CC[C@@H](N4CCOCC4)CC3)ccc21 ZINC001233601013 1376681422 /nfs/dbraw/zinc/68/14/22/1376681422.db2.gz FIZCEOCRBBXZDR-HDICACEKSA-N 0 3 330.472 3.091 20 10 EGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001237053819 1376972106 /nfs/dbraw/zinc/97/21/06/1376972106.db2.gz QZZLMWCGRKRUHB-PWSUYJOCSA-N 0 3 337.288 3.420 20 10 EGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001237053819 1376972110 /nfs/dbraw/zinc/97/21/10/1376972110.db2.gz QZZLMWCGRKRUHB-PWSUYJOCSA-N 0 3 337.288 3.420 20 10 EGCDHN Oc1cc2c(cc1O)CN(Cc1ccccc1-n1cccn1)CCC2 ZINC001137100529 1377478183 /nfs/dbraw/zinc/47/81/83/1377478183.db2.gz BYOQPQRETIYINM-UHFFFAOYSA-N 0 3 335.407 3.232 20 10 EGCDHN Cc1c(CN2CC3CC2(C(=O)N2CCCC2)C3)c2ccccc2n1C ZINC001138255629 1377694952 /nfs/dbraw/zinc/69/49/52/1377694952.db2.gz NNUVCLLEDNZWAP-UHFFFAOYSA-N 0 3 337.467 3.074 20 10 EGCDHN CCOC(=O)C1(C)CCN(Cc2ccc3c(c2)CCCN3C)CC1 ZINC001138357782 1377708250 /nfs/dbraw/zinc/70/82/50/1377708250.db2.gz KDXNBXZAFUFKNF-UHFFFAOYSA-N 0 3 330.472 3.234 20 10 EGCDHN CCN(CC)c1ccc(CN2CC[C@@H](c3nc(C)no3)C2)c(OC)c1 ZINC001138390504 1377714365 /nfs/dbraw/zinc/71/43/65/1377714365.db2.gz ZMWCLHRRUDMKOJ-MRXNPFEDSA-N 0 3 344.459 3.222 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC[C@@H](CC(=O)OC)C2)c(OC)c1 ZINC001138390400 1377714610 /nfs/dbraw/zinc/71/46/10/1377714610.db2.gz VNKASLMXCBPHPE-INIZCTEOSA-N 0 3 348.487 3.317 20 10 EGCDHN CC[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccccc1[O-] ZINC001138499399 1377733475 /nfs/dbraw/zinc/73/34/75/1377733475.db2.gz HXKNXTYOBRECRF-UHFFFAOYSA-N 0 3 326.440 3.251 20 10 EGCDHN CC[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccccc1[O-] ZINC001138499399 1377733477 /nfs/dbraw/zinc/73/34/77/1377733477.db2.gz HXKNXTYOBRECRF-UHFFFAOYSA-N 0 3 326.440 3.251 20 10 EGCDHN C[N@H+](Cc1ccc(N2CCC(O)CC2)s1)Cc1ccccc1[O-] ZINC001139295889 1377863879 /nfs/dbraw/zinc/86/38/79/1377863879.db2.gz FDVRQMXANKLOSA-UHFFFAOYSA-N 0 3 332.469 3.047 20 10 EGCDHN C[N@@H+](Cc1ccc(N2CCC(O)CC2)s1)Cc1ccccc1[O-] ZINC001139295889 1377863881 /nfs/dbraw/zinc/86/38/81/1377863881.db2.gz FDVRQMXANKLOSA-UHFFFAOYSA-N 0 3 332.469 3.047 20 10 EGCDHN Oc1cc2c(cc1O)CN(Cc1ccc(-n3ccnc3)cc1)CCC2 ZINC001139360919 1377874152 /nfs/dbraw/zinc/87/41/52/1377874152.db2.gz IXOJGLOBXIZMIW-UHFFFAOYSA-N 0 3 335.407 3.232 20 10 EGCDHN Fc1cc(N2CCOCC2)ccc1CN1CCC2(CCOCC2)CC1 ZINC001140663791 1378108525 /nfs/dbraw/zinc/10/85/25/1378108525.db2.gz PLUMGLYFAUUNAV-UHFFFAOYSA-N 0 3 348.462 3.055 20 10 EGCDHN Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)c([O-])c1 ZINC001140950650 1378189977 /nfs/dbraw/zinc/18/99/77/1378189977.db2.gz AOJIGUDINLMBCI-DOTOQJQBSA-N 0 3 346.471 3.389 20 10 EGCDHN Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)c([O-])c1 ZINC001140950650 1378189981 /nfs/dbraw/zinc/18/99/81/1378189981.db2.gz AOJIGUDINLMBCI-DOTOQJQBSA-N 0 3 346.471 3.389 20 10 EGCDHN Cc1ccc(C[N@@H+]2CCc3ncnc(-c4cccnc4)c3CC2)c([O-])c1 ZINC001140949922 1378190206 /nfs/dbraw/zinc/19/02/06/1378190206.db2.gz KMXFAFWNQOFSFP-UHFFFAOYSA-N 0 3 346.434 3.153 20 10 EGCDHN Cc1ccc(C[N@H+]2CCc3ncnc(-c4cccnc4)c3CC2)c([O-])c1 ZINC001140949922 1378190209 /nfs/dbraw/zinc/19/02/09/1378190209.db2.gz KMXFAFWNQOFSFP-UHFFFAOYSA-N 0 3 346.434 3.153 20 10 EGCDHN COc1ccc(N2CCN(Cc3ccc(C)cc3O)CC2)c(C)c1 ZINC001140953567 1378191804 /nfs/dbraw/zinc/19/18/04/1378191804.db2.gz CDGUBMCAEYYBDT-UHFFFAOYSA-N 0 3 326.440 3.340 20 10 EGCDHN COc1cc(O)c(CN2CC[C@@](CF)(C(F)(F)F)C2)c(OC)c1 ZINC001141032104 1378214190 /nfs/dbraw/zinc/21/41/90/1378214190.db2.gz SEKXJNGQOWRQMB-AWEZNQCLSA-N 0 3 337.313 3.133 20 10 EGCDHN COCCCCN1CCN(Cc2cccc(C(C)(C)C)c2O)CC1 ZINC001143116466 1378542879 /nfs/dbraw/zinc/54/28/79/1378542879.db2.gz CIEHWKONDZPKPT-UHFFFAOYSA-N 0 3 334.504 3.234 20 10 EGCDHN COc1ccc(N2CCN(CCCNc3cnccc3C)CC2)cc1 ZINC001164333917 1383178582 /nfs/dbraw/zinc/17/85/82/1383178582.db2.gz IIUVBLDCKZWNNU-UHFFFAOYSA-N 0 3 340.471 3.023 20 10 EGCDHN COC(=N)c1cccc(NCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC001167437337 1383633928 /nfs/dbraw/zinc/63/39/28/1383633928.db2.gz RBYXQQYCLAPCTO-UHFFFAOYSA-N 0 3 338.455 3.022 20 10 EGCDHN COc1ccc(N2CCN([C@@H](C)CCOC(C)C)CC2)c(OC)c1 ZINC001172453846 1384795177 /nfs/dbraw/zinc/79/51/77/1384795177.db2.gz GYSSRKAAOBICEW-INIZCTEOSA-N 0 3 336.476 3.029 20 10 EGCDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2ccccc2[O-])c1F ZINC001173176488 1384931826 /nfs/dbraw/zinc/93/18/26/1384931826.db2.gz JOQDCOKAPADESR-LLVKDONJSA-N 0 3 334.347 3.169 20 10 EGCDHN Cc1cc(CN2CCC3(CCNC3=O)CC2)ccc1N1CCCCC1 ZINC001333469947 1390312483 /nfs/dbraw/zinc/31/24/83/1390312483.db2.gz FVDSPPURMQNSDW-UHFFFAOYSA-N 0 3 341.499 3.087 20 10 EGCDHN CN(C)C(=O)OC[C@H]1CCCCN1Cc1ccc(N2CCCC2)cc1 ZINC001343284347 1390704604 /nfs/dbraw/zinc/70/46/04/1390704604.db2.gz JPXLKYLXUVZUPY-LJQANCHMSA-N 0 3 345.487 3.340 20 10 EGCDHN COc1ccc(CNC/C=C/CNC(=O)[C@@H](C)c2ccco2)cc1C ZINC001754169116 1440546774 /nfs/dbraw/zinc/54/67/74/1440546774.db2.gz GKKGIBVFPUCZRT-APHBUQMISA-N 0 3 342.439 3.162 20 10 EGCDHN C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001594227276 998871782 /nfs/dbraw/zinc/87/17/82/998871782.db2.gz ZUWONUCVWMWUIZ-OAGGEKHMSA-N 0 3 348.487 3.499 20 10 EGCDHN COc1cc(CN(C)Cc2ccc(N(C)C)cc2)cc(OC)c1O ZINC000298895065 202401913 /nfs/dbraw/zinc/40/19/13/202401913.db2.gz VKTNIIWBTKZWNE-UHFFFAOYSA-N 0 3 330.428 3.107 20 10 EGCDHN COc1cccc(C[NH2+]CCCc2nc3ccccc3n2C)c1[O-] ZINC000076272163 203344473 /nfs/dbraw/zinc/34/44/73/203344473.db2.gz LJKYUJDYXQAPOE-UHFFFAOYSA-N 0 3 325.412 3.010 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]CCn2cc(Br)cn2)c([O-])c1C ZINC000285605275 455880943 /nfs/dbraw/zinc/88/09/43/455880943.db2.gz ISYHSZNJWMYPGZ-LBPRGKRZSA-N 0 3 338.249 3.319 20 10 EGCDHN CC[C@H]([NH2+]CC1(O)CCN(C)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287306072 456066515 /nfs/dbraw/zinc/06/65/15/456066515.db2.gz CSEOUYIQQVABSP-AWEZNQCLSA-N 0 3 347.286 3.196 20 10 EGCDHN Cc1nccn1CCC[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000273363787 456225592 /nfs/dbraw/zinc/22/55/92/456225592.db2.gz DPQGBLHVCSETTH-NSHDSACASA-N 0 3 338.249 3.401 20 10 EGCDHN COc1cc([O-])c(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)cc1OC ZINC000180717819 455233042 /nfs/dbraw/zinc/23/30/42/455233042.db2.gz WDCGJONPACISRW-HOCLYGCPSA-N 0 3 347.411 3.091 20 10 EGCDHN COc1cc(O)c(CN2CCC[C@H]2C[C@H](O)c2ccco2)cc1OC ZINC000180717819 455233044 /nfs/dbraw/zinc/23/30/44/455233044.db2.gz WDCGJONPACISRW-HOCLYGCPSA-N 0 3 347.411 3.091 20 10 EGCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)cc1OC ZINC000180717819 455233035 /nfs/dbraw/zinc/23/30/35/455233035.db2.gz WDCGJONPACISRW-HOCLYGCPSA-N 0 3 347.411 3.091 20 10 EGCDHN C[C@H]([NH2+]C[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccccc1[O-] ZINC000183381333 455285333 /nfs/dbraw/zinc/28/53/33/455285333.db2.gz RXKPZWCIQGAPGP-KXBFYZLASA-N 0 3 344.430 3.255 20 10 EGCDHN CCOc1ccc2c(c1)[C@@H](NCc1cc(OC)ccc1O)CCO2 ZINC000089726514 454183475 /nfs/dbraw/zinc/18/34/75/454183475.db2.gz UOPQFRFRVNOZGI-KRWDZBQOSA-N 0 3 329.396 3.413 20 10 EGCDHN COc1ccc(CNC[C@H](c2ccc(C)o2)N2CCOCC2)cc1C ZINC000078302990 454227448 /nfs/dbraw/zinc/22/74/48/454227448.db2.gz GJIOVYHTCCEGTG-GOSISDBHSA-N 0 3 344.455 3.068 20 10 EGCDHN CCCOc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c([O-])c1 ZINC000092706439 454614154 /nfs/dbraw/zinc/61/41/54/454614154.db2.gz RRZPIAAMFAQTKL-MRXNPFEDSA-N 0 3 348.487 3.165 20 10 EGCDHN CCCOc1ccc(C[N@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c([O-])c1 ZINC000092706439 454614160 /nfs/dbraw/zinc/61/41/60/454614160.db2.gz RRZPIAAMFAQTKL-MRXNPFEDSA-N 0 3 348.487 3.165 20 10 EGCDHN CNC(=O)CC1CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000093587991 454722340 /nfs/dbraw/zinc/72/23/40/454722340.db2.gz NTXHSVPYCKGXBJ-UHFFFAOYSA-N 0 3 338.451 3.407 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+](C)C[C@H]2CCCOC2)c1[O-] ZINC000124592254 454751328 /nfs/dbraw/zinc/75/13/28/454751328.db2.gz JZDKPXGCBVNXCU-GFCCVEGCSA-N 0 3 328.250 3.322 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+](C)C[C@H]2CCCOC2)c1[O-] ZINC000124592254 454751332 /nfs/dbraw/zinc/75/13/32/454751332.db2.gz JZDKPXGCBVNXCU-GFCCVEGCSA-N 0 3 328.250 3.322 20 10 EGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]Cc2ccccc2CN2CCOCC2)c1 ZINC000184894132 455469171 /nfs/dbraw/zinc/46/91/71/455469171.db2.gz QMCOWNOMFQDOAG-KRWDZBQOSA-N 0 3 340.467 3.384 20 10 EGCDHN CC[C@@H](NCCS(=O)(=O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000154135823 454868320 /nfs/dbraw/zinc/86/83/20/454868320.db2.gz VEPRTDLXNAZAJN-LJQANCHMSA-N 0 3 346.496 3.267 20 10 EGCDHN CCC(=O)N1CC[C@H](N[C@@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000126340174 454886767 /nfs/dbraw/zinc/88/67/67/454886767.db2.gz YEFWIQGQVGBMNR-WMZOPIPTSA-N 0 3 329.488 3.338 20 10 EGCDHN CCCOc1ccc(CN[C@@H](C[S@@](C)=O)c2ccccc2)c(O)c1 ZINC000154716408 454923028 /nfs/dbraw/zinc/92/30/28/454923028.db2.gz QFMLLRFAIKNOSB-UUOWRZLLSA-N 0 3 347.480 3.390 20 10 EGCDHN Cc1ccc(O)c(CN2CCCN(C(=O)c3cccc(F)c3)CC2)c1 ZINC000129015775 455094177 /nfs/dbraw/zinc/09/41/77/455094177.db2.gz QRCCIHBGPMAZJT-UHFFFAOYSA-N 0 3 342.414 3.188 20 10 EGCDHN CCN(Cc1ccc(C(=O)N(C)C)cc1)Cc1cc(OC)ccc1O ZINC000180049761 455122458 /nfs/dbraw/zinc/12/24/58/455122458.db2.gz LOOFISYBQPBNFU-UHFFFAOYSA-N 0 3 342.439 3.125 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CC[C@H](O)C2)c1[O-] ZINC000189281912 455169701 /nfs/dbraw/zinc/16/97/01/455169701.db2.gz GIUWFECJKYUBJV-MDZLAQPJSA-N 0 3 328.250 3.275 20 10 EGCDHN CCN1CCN(c2ccc(CN[C@@H](C)c3ccccn3)cc2F)CC1 ZINC000159053992 455348003 /nfs/dbraw/zinc/34/80/03/455348003.db2.gz MRRDRWQLMNZESG-INIZCTEOSA-N 0 3 342.462 3.213 20 10 EGCDHN Cc1cc(Br)cc(C[NH+]2CCC(C)(CO)CC2)c1[O-] ZINC000184067736 455351204 /nfs/dbraw/zinc/35/12/04/455351204.db2.gz JXWJSWWJOUXPOY-UHFFFAOYSA-N 0 3 328.250 3.058 20 10 EGCDHN Cc1n[nH]cc1CN[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000174622301 455407067 /nfs/dbraw/zinc/40/70/67/455407067.db2.gz JSUOKZWVOFZGON-CQSZACIVSA-N 0 3 336.386 3.078 20 10 EGCDHN COc1ccc(OC)c([C@@H](O)C[NH2+][C@H](C)c2ccc(C)cc2[O-])c1 ZINC000184946662 455476373 /nfs/dbraw/zinc/47/63/73/455476373.db2.gz GTVZSAKBAFLYHZ-ACJLOTCBSA-N 0 3 331.412 3.102 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C2CCN(Cc3ccccn3)CC2)c1 ZINC000185053753 455493456 /nfs/dbraw/zinc/49/34/56/455493456.db2.gz XDWUGWGOWUJYNZ-HNNXBMFYSA-N 0 3 341.455 3.111 20 10 EGCDHN CC[C@@H]([NH2+]C[C@@H](O)c1cc(OC)cc(OC)c1)c1ccccc1[O-] ZINC000185211704 455522546 /nfs/dbraw/zinc/52/25/46/455522546.db2.gz HNAIUMRBCCNOKR-IEBWSBKVSA-N 0 3 331.412 3.184 20 10 EGCDHN CCOCCCN1CC[C@@H]([NH2+][C@@H](C)c2cc(F)ccc2[O-])[C@H](C)C1 ZINC000185461551 455560877 /nfs/dbraw/zinc/56/08/77/455560877.db2.gz LNKFWFLDPVSPGG-RVKKMQEKSA-N 0 3 338.467 3.319 20 10 EGCDHN C[C@@H](CO[C@H]1CCOC1)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000267901618 455562352 /nfs/dbraw/zinc/56/23/52/455562352.db2.gz LKTZXPPGURNJLX-KXBFYZLASA-N 0 3 327.424 3.343 20 10 EGCDHN C[C@@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1cc(F)ccc1[O-] ZINC000185547661 455576381 /nfs/dbraw/zinc/57/63/81/455576381.db2.gz HJHBAEBSCUEKEX-CYBMUJFWSA-N 0 3 330.403 3.126 20 10 EGCDHN CC(=O)c1cc(F)cc(C[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)c1[O-] ZINC000185726144 455607939 /nfs/dbraw/zinc/60/79/39/455607939.db2.gz VUDUXUKYRXDUAR-HIFRSBDPSA-N 0 3 348.462 3.477 20 10 EGCDHN CCOCc1cc(CNC[C@H](O)c2ccc(F)cc2)ccc1OC ZINC000277645106 455622301 /nfs/dbraw/zinc/62/23/01/455622301.db2.gz DWTCCWBCTNPTLJ-SFHVURJKSA-N 0 3 333.403 3.194 20 10 EGCDHN Cc1cnc(C2CCN(Cc3cc4c(cc3O)OCO4)CC2)s1 ZINC000277769348 455659995 /nfs/dbraw/zinc/65/99/95/455659995.db2.gz WRHBKRJXARDDBQ-UHFFFAOYSA-N 0 3 332.425 3.265 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]CCCNC(=O)c2ccc(F)cc2)c([O-])c1 ZINC000186013754 455674669 /nfs/dbraw/zinc/67/46/69/455674669.db2.gz XSESOTOJQWUHLI-AWEZNQCLSA-N 0 3 330.403 3.310 20 10 EGCDHN COc1cc(O)c(CNC(C)(C)c2ccccc2[N+](=O)[O-])cc1OC ZINC000292788302 455757730 /nfs/dbraw/zinc/75/77/30/455757730.db2.gz MBBYJKOCJDPEMO-UHFFFAOYSA-N 0 3 346.383 3.343 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3F)C2)c1 ZINC000293723008 455796395 /nfs/dbraw/zinc/79/63/95/455796395.db2.gz PRSHGCYDHCTABQ-KGLIPLIRSA-N 0 3 330.403 3.469 20 10 EGCDHN CCN(C)C(=O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000294461073 455817025 /nfs/dbraw/zinc/81/70/25/455817025.db2.gz WGCRPGVSMSCVPC-SFHVURJKSA-N 0 3 326.440 3.134 20 10 EGCDHN CC(C)(C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-])C(N)=O ZINC000294662325 455822681 /nfs/dbraw/zinc/82/26/81/455822681.db2.gz HIYRKYLXSSPJFI-KRWDZBQOSA-N 0 3 326.440 3.167 20 10 EGCDHN COC[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])[C@H]1CCCO1 ZINC000278548549 455839881 /nfs/dbraw/zinc/83/98/81/455839881.db2.gz BFMWBZVRBPXJMV-UYAOXDASSA-N 0 3 327.424 3.343 20 10 EGCDHN CC(=O)N1CCC[C@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000279621604 455869656 /nfs/dbraw/zinc/86/96/56/455869656.db2.gz AVAWLDMDGDIUBV-QGZVFWFLSA-N 0 3 338.451 3.407 20 10 EGCDHN CC[C@@H]([NH2+]C[C@H](C(C)C)N1CCN(C)CC1)c1ccc(C)cc1[O-] ZINC000279925994 455878394 /nfs/dbraw/zinc/87/83/94/455878394.db2.gz AKBRBWJVNIGBGE-RTBURBONSA-N 0 3 333.520 3.013 20 10 EGCDHN CCOc1ccc(O)c(CNCc2cccc(NC(=O)OC)c2)c1 ZINC000285646553 455887982 /nfs/dbraw/zinc/88/79/82/455887982.db2.gz YCJXIDCNGZDOHF-UHFFFAOYSA-N 0 3 330.384 3.259 20 10 EGCDHN CCOc1ccc([O-])c(C[NH2+]Cc2cccc(NC(=O)OC)c2)c1 ZINC000285646553 455887986 /nfs/dbraw/zinc/88/79/86/455887986.db2.gz YCJXIDCNGZDOHF-UHFFFAOYSA-N 0 3 330.384 3.259 20 10 EGCDHN CC[C@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1ccc(C)cc1[O-] ZINC000280175781 455909027 /nfs/dbraw/zinc/90/90/27/455909027.db2.gz RJIVWZXEMGWNJO-SFHVURJKSA-N 0 3 347.480 3.486 20 10 EGCDHN CC[C@H]([NH2+]CC(=O)NCc1ccc(OC)cc1)c1ccc(C)cc1[O-] ZINC000280289845 455937879 /nfs/dbraw/zinc/93/78/79/455937879.db2.gz ZDACYBHVFBIEHM-SFHVURJKSA-N 0 3 342.439 3.066 20 10 EGCDHN CN(Cc1cccs1)c1ccc(CN[C@@H]2CCCCNC2=O)cc1 ZINC000296561806 455974525 /nfs/dbraw/zinc/97/45/25/455974525.db2.gz VFQOWOCRSATVFS-GOSISDBHSA-N 0 3 343.496 3.143 20 10 EGCDHN O=C1C[C@@H](C[NH2+][C@H]2CCc3cccc([O-])c32)CN1Cc1ccccc1 ZINC000296736109 456023436 /nfs/dbraw/zinc/02/34/36/456023436.db2.gz JCORPTOSEUAPDX-WMZOPIPTSA-N 0 3 336.435 3.018 20 10 EGCDHN O=C1C[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)CN1c1c(F)cccc1F ZINC000296739566 456025366 /nfs/dbraw/zinc/02/53/66/456025366.db2.gz JGMATMRQLWGSNI-DOMZBBRYSA-N 0 3 344.361 3.053 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)c([O-])c1 ZINC000287593069 456074019 /nfs/dbraw/zinc/07/40/19/456074019.db2.gz RSMMJKLINOXOQA-HZPDHXFCSA-N 0 3 331.460 3.031 20 10 EGCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])c1cccc(S(=O)(=O)N(C)C)c1 ZINC000272868732 456096374 /nfs/dbraw/zinc/09/63/74/456096374.db2.gz OGMFDQYTRMNDGT-ZIAGYGMSSA-N 0 3 348.468 3.054 20 10 EGCDHN COCC[C@H](Cc1cccc(F)c1)[NH2+]Cc1cccc(OC)c1[O-] ZINC000289558448 456129906 /nfs/dbraw/zinc/12/99/06/456129906.db2.gz YIKIXAOCGSAOTP-QGZVFWFLSA-N 0 3 333.403 3.277 20 10 EGCDHN COCCN1CCC([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000263651921 456182643 /nfs/dbraw/zinc/18/26/43/456182643.db2.gz DKPGAUYFUIMWNJ-UHFFFAOYSA-N 0 3 340.467 3.260 20 10 EGCDHN CCCOc1ccc(CNCc2cccc(OC)c2O)cc1OC ZINC000236831207 456190413 /nfs/dbraw/zinc/19/04/13/456190413.db2.gz QDMBNZDWRFZNDB-UHFFFAOYSA-N 0 3 331.412 3.488 20 10 EGCDHN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@]1(C)CCCCN1 ZINC000237218867 456248227 /nfs/dbraw/zinc/24/82/27/456248227.db2.gz ICBUOSWYHKKXOJ-HXUWFJFHSA-N 0 3 329.488 3.168 20 10 EGCDHN Cc1cc(C(=O)N[C@@H]2CCCN(C(C)C)C2)c(C)n1-c1ccccn1 ZINC000274420604 456257791 /nfs/dbraw/zinc/25/77/91/456257791.db2.gz DGCVIRIMKBXQJA-QGZVFWFLSA-N 0 3 340.471 3.092 20 10 EGCDHN COC(=O)c1cccc(NC2CC[NH+](Cc3ccccc3[O-])CC2)c1 ZINC000290385781 456312660 /nfs/dbraw/zinc/31/26/60/456312660.db2.gz IMEHUSIEQPYRFA-UHFFFAOYSA-N 0 3 340.423 3.255 20 10 EGCDHN CCN(C)c1ccc([C@H](C)N[C@@H]2COc3ccccc3[C@@H]2O)cc1 ZINC000290385497 456313663 /nfs/dbraw/zinc/31/36/63/456313663.db2.gz RXPFGXATUDLVIL-QMIHWGKISA-N 0 3 326.440 3.288 20 10 EGCDHN C[C@@H]1CN(c2ccccc2C[N@H+](C)Cc2ccccc2[O-])CCO1 ZINC000297889919 456318302 /nfs/dbraw/zinc/31/83/02/456318302.db2.gz QWKWQCJTFXCQOR-MRXNPFEDSA-N 0 3 326.440 3.249 20 10 EGCDHN C[C@@H]1CN(c2ccccc2C[N@@H+](C)Cc2ccccc2[O-])CCO1 ZINC000297889919 456318311 /nfs/dbraw/zinc/31/83/11/456318311.db2.gz QWKWQCJTFXCQOR-MRXNPFEDSA-N 0 3 326.440 3.249 20 10 EGCDHN Cc1cc(Br)cc(CN2CC[C@@H](O)C(C)(C)C2)c1O ZINC000276095345 456387867 /nfs/dbraw/zinc/38/78/67/456387867.db2.gz YKJNARXQGIUDRV-CYBMUJFWSA-N 0 3 328.250 3.056 20 10 EGCDHN CCN1CCN(c2cccc(NC(=O)c3ccccc3NC)c2)CC1 ZINC000299033010 456590576 /nfs/dbraw/zinc/59/05/76/456590576.db2.gz RVPLKPXQAAHJKG-UHFFFAOYSA-N 0 3 338.455 3.123 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)c1[O-] ZINC000291358299 456618876 /nfs/dbraw/zinc/61/88/76/456618876.db2.gz XZLWDCNEKFROSK-IBGZPJMESA-N 0 3 347.842 3.190 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@](CO)(c3ccccc3)C2)c1[O-] ZINC000291358299 456618879 /nfs/dbraw/zinc/61/88/79/456618879.db2.gz XZLWDCNEKFROSK-IBGZPJMESA-N 0 3 347.842 3.190 20 10 EGCDHN COc1cccc(C2(C[NH2+]Cc3cc(OC)c(OC)cc3[O-])CC2)c1 ZINC000291469414 456653233 /nfs/dbraw/zinc/65/32/33/456653233.db2.gz DQMARBWZRHUTNM-UHFFFAOYSA-N 0 3 343.423 3.239 20 10 EGCDHN O=C1Nc2ccccc2[C@@H]1C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000361070981 457562707 /nfs/dbraw/zinc/56/27/07/457562707.db2.gz ZIDBLQOYBVAZJY-IBGZPJMESA-N 0 3 340.398 3.479 20 10 EGCDHN C[C@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1cc(Br)ccc1[O-] ZINC000370396122 457637747 /nfs/dbraw/zinc/63/77/47/457637747.db2.gz KHSHUEQNVCLUSE-CABZTGNLSA-N 0 3 336.233 3.086 20 10 EGCDHN COc1cccc(C[N@@H+]2CC[C@]3(C2)CCc2ccccc2O3)c1[O-] ZINC000368225025 458019495 /nfs/dbraw/zinc/01/94/95/458019495.db2.gz GDRZLWVHFRUSDR-FQEVSTJZSA-N 0 3 325.408 3.371 20 10 EGCDHN COc1cccc(C[N@H+]2CC[C@]3(C2)CCc2ccccc2O3)c1[O-] ZINC000368225025 458019501 /nfs/dbraw/zinc/01/95/01/458019501.db2.gz GDRZLWVHFRUSDR-FQEVSTJZSA-N 0 3 325.408 3.371 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)c1[O-] ZINC000362241645 458046721 /nfs/dbraw/zinc/04/67/21/458046721.db2.gz YGYSAGMIBLSWCX-HIFRSBDPSA-N 0 3 326.234 3.120 20 10 EGCDHN CN1C[C@H](NCc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)CC1=O ZINC000726797476 574572030 /nfs/dbraw/zinc/57/20/30/574572030.db2.gz GBOHSXMUYDHVIM-OAHLLOKOSA-N 0 3 332.488 3.308 20 10 EGCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CN(C)CC(C)(C)C ZINC000726971766 574625307 /nfs/dbraw/zinc/62/53/07/574625307.db2.gz QPEDUXKOJRIYPW-UHFFFAOYSA-N 0 3 333.520 3.468 20 10 EGCDHN c1ccc(-c2ccc(NCCNCc3ccc4c(c3)CCO4)nn2)cc1 ZINC000727644752 574680254 /nfs/dbraw/zinc/68/02/54/574680254.db2.gz PUIGYGQYAZSQRR-UHFFFAOYSA-N 0 3 346.434 3.280 20 10 EGCDHN CC1(C)COCCN1CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000728300802 574736601 /nfs/dbraw/zinc/73/66/01/574736601.db2.gz CMDJBIRPXNWLLG-UHFFFAOYSA-N 0 3 340.467 3.260 20 10 EGCDHN CC[NH+](CC)CCOc1ccc(NC(=O)c2cc([O-])cs2)cc1 ZINC000731868834 575216673 /nfs/dbraw/zinc/21/66/73/575216673.db2.gz ZBCOFVPUJCWNAW-UHFFFAOYSA-N 0 3 334.441 3.427 20 10 EGCDHN CCOC(=O)CCN(Cc1cccnc1)Cc1cc(C)c(C)cc1O ZINC000060320094 1291920289 /nfs/dbraw/zinc/92/02/89/1291920289.db2.gz LXHAZENGHIEYHQ-UHFFFAOYSA-N 0 3 342.439 3.359 20 10 EGCDHN Cc1ccc(CNCc2ccc(N3CCOCC3)c(F)c2)cc1F ZINC000066970702 1292137617 /nfs/dbraw/zinc/13/76/17/1292137617.db2.gz IQCGIUADJJPWDS-UHFFFAOYSA-N 0 3 332.394 3.400 20 10 EGCDHN Cc1ccc([C@@H](CNC(=O)N(C)Cc2ccccc2O)N(C)C)cc1 ZINC000067704871 1292170451 /nfs/dbraw/zinc/17/04/51/1292170451.db2.gz QPBRZVVVNYWXIH-GOSISDBHSA-N 0 3 341.455 3.145 20 10 EGCDHN Cc1ccc(O)c(CN2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000827775942 1292370902 /nfs/dbraw/zinc/37/09/02/1292370902.db2.gz LAYXZPXUTBZYRU-HUUCEWRRSA-N 0 3 338.423 3.138 20 10 EGCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NCc1ccccc1 ZINC000076074259 1292418299 /nfs/dbraw/zinc/41/82/99/1292418299.db2.gz IYCKBPIFYKKDMX-INIZCTEOSA-N 0 3 326.440 3.309 20 10 EGCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NCc1ccccc1 ZINC000076074259 1292418304 /nfs/dbraw/zinc/41/83/04/1292418304.db2.gz IYCKBPIFYKKDMX-INIZCTEOSA-N 0 3 326.440 3.309 20 10 EGCDHN C[C@@H](N[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000090181691 1292789754 /nfs/dbraw/zinc/78/97/54/1292789754.db2.gz ZPMYBDOPRMTARL-GDBMZVCRSA-N 0 3 345.462 3.230 20 10 EGCDHN [NH3+]CCCOC1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000094069801 1292940719 /nfs/dbraw/zinc/94/07/19/1292940719.db2.gz JYTJSSDJDSIIJV-UHFFFAOYSA-N 0 3 333.259 3.029 20 10 EGCDHN Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834534176 1293112617 /nfs/dbraw/zinc/11/26/17/1293112617.db2.gz HEWXSGBASLCKLT-IRXDYDNUSA-N 0 3 327.424 3.026 20 10 EGCDHN CC[C@H]([NH2+]Cc1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1[O-] ZINC000834883030 1293163832 /nfs/dbraw/zinc/16/38/32/1293163832.db2.gz GVGMFECQYMJIMK-KRWDZBQOSA-N 0 3 333.453 3.345 20 10 EGCDHN CCN1C[C@@H]([NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])CC1=O ZINC000834892007 1293165619 /nfs/dbraw/zinc/16/56/19/1293165619.db2.gz UCOMLCMZVGSVPT-HKUYNNGSSA-N 0 3 338.451 3.277 20 10 EGCDHN CC[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccnn2C)C1)c1ccc(C)cc1[O-] ZINC000834897126 1293168616 /nfs/dbraw/zinc/16/86/16/1293168616.db2.gz PXMZIOHWVRCLPM-SIXWZSSISA-N 0 3 329.444 3.395 20 10 EGCDHN C[C@H](N[C@H]1C[C@H]2CCCCN2C1=O)c1ccc(N2CCCCC2)cc1 ZINC000834916378 1293176044 /nfs/dbraw/zinc/17/60/44/1293176044.db2.gz WWJNRSGKURTDSB-DBVUQKKJSA-N 0 3 341.499 3.481 20 10 EGCDHN CCn1nccc1C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000119214780 1293260323 /nfs/dbraw/zinc/26/03/23/1293260323.db2.gz BARSJDBTNCTAPR-INIZCTEOSA-N 0 3 348.878 3.016 20 10 EGCDHN CCN1CCN(c2ccc(CNCc3cc(C)oc3C)cc2F)CC1 ZINC000120100995 1293304854 /nfs/dbraw/zinc/30/48/54/1293304854.db2.gz ALRGHMHXRJFUII-UHFFFAOYSA-N 0 3 345.462 3.467 20 10 EGCDHN CC(C)COC[C@H](O)CN(Cc1ccco1)Cc1ccccc1O ZINC000121028182 1293350352 /nfs/dbraw/zinc/35/03/52/1293350352.db2.gz QYSLEIYKBDWDDF-QGZVFWFLSA-N 0 3 333.428 3.021 20 10 EGCDHN Cn1ccc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1 ZINC000125499212 1293508669 /nfs/dbraw/zinc/50/86/69/1293508669.db2.gz YUNRFXZQKZWZRH-KRWDZBQOSA-N 0 3 333.863 3.138 20 10 EGCDHN C[C@@H](NCc1ccc(S(C)(=O)=O)cc1)c1ccc(N(C)C)cc1 ZINC000127446297 1293563752 /nfs/dbraw/zinc/56/37/52/1293563752.db2.gz NDPFQZDIRVYMGV-CQSZACIVSA-N 0 3 332.469 3.007 20 10 EGCDHN CCCN(CC(=O)NCc1ccccc1F)Cc1ccccc1O ZINC000130735515 1293666983 /nfs/dbraw/zinc/66/69/83/1293666983.db2.gz BWRVHIJTDTULPA-UHFFFAOYSA-N 0 3 330.403 3.060 20 10 EGCDHN CC(C)(C)[NH+]1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000133403844 1293743446 /nfs/dbraw/zinc/74/34/46/1293743446.db2.gz YENJWXVQXDXFSP-UHFFFAOYSA-N 0 3 327.266 3.071 20 10 EGCDHN CC[C@@H]([NH2+]Cc1ccccc1N1CCOCC1)c1ccccc1[O-] ZINC000155377422 1294094229 /nfs/dbraw/zinc/09/42/29/1294094229.db2.gz FNVIHTICLIGTEW-GOSISDBHSA-N 0 3 326.440 3.470 20 10 EGCDHN O=C(NC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1)c1ccccc1 ZINC000180027384 1294853396 /nfs/dbraw/zinc/85/33/96/1294853396.db2.gz BFIFZUHAAGNGCA-OAHLLOKOSA-N 0 3 342.414 3.173 20 10 EGCDHN O=C(NC[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1)c1ccccc1 ZINC000180027384 1294853413 /nfs/dbraw/zinc/85/34/13/1294853413.db2.gz BFIFZUHAAGNGCA-OAHLLOKOSA-N 0 3 342.414 3.173 20 10 EGCDHN CN(C)CCN(CC1CCCCC1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180968102 1294928730 /nfs/dbraw/zinc/92/87/30/1294928730.db2.gz BVZQVGOZXVTSNR-PKNBQFBNSA-N 0 3 346.471 3.082 20 10 EGCDHN CC[C@H](NCC(=O)NCCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000181404540 1294966348 /nfs/dbraw/zinc/96/63/48/1294966348.db2.gz YGYILSCKLYOYGZ-FQEVSTJZSA-N 0 3 339.483 3.152 20 10 EGCDHN CCN(CC[NH2+][C@@H](C)c1cc(F)ccc1[O-])C(=O)OC(C)(C)C ZINC000185315447 1295254638 /nfs/dbraw/zinc/25/46/38/1295254638.db2.gz OUBPZSCFERIBMT-LBPRGKRZSA-N 0 3 326.412 3.439 20 10 EGCDHN COc1cc(CN2CCN(C)C[C@H]2c2ccccc2)c(O)cc1C ZINC000245513902 1296309753 /nfs/dbraw/zinc/30/97/53/1296309753.db2.gz DNTODQHMCPEBJN-SFHVURJKSA-N 0 3 326.440 3.198 20 10 EGCDHN [O-]c1ccc(Br)cc1CN1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000300417081 1296781427 /nfs/dbraw/zinc/78/14/27/1296781427.db2.gz KHFYOAOLPKNVJY-CABCVRRESA-N 0 3 339.277 3.261 20 10 EGCDHN CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000304060882 1296897459 /nfs/dbraw/zinc/89/74/59/1296897459.db2.gz OWSGYODIUBEVRS-BONVTDFDSA-N 0 3 346.265 3.050 20 10 EGCDHN CCCOc1ccc(CN[C@H]2CCCc3c2cnn3CCO)cc1C ZINC000873020907 1297229285 /nfs/dbraw/zinc/22/92/85/1297229285.db2.gz FIJGWBWMXYWONC-SFHVURJKSA-N 0 3 343.471 3.140 20 10 EGCDHN C/C=C\C[C@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000588528769 1298078796 /nfs/dbraw/zinc/07/87/96/1298078796.db2.gz MSVZSCLJBJQJMM-YBLMTZRHSA-N 0 3 328.250 3.441 20 10 EGCDHN C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000697838143 1298166014 /nfs/dbraw/zinc/16/60/14/1298166014.db2.gz JWNOQLXOTWWKAL-NWDGAFQWSA-N 0 3 326.412 3.343 20 10 EGCDHN CCOc1ccc(CNCC(=O)Nc2ccc(Cl)cc2)c(O)c1 ZINC000725849477 1298374207 /nfs/dbraw/zinc/37/42/07/1298374207.db2.gz JJVZFBCNEIWZTJ-UHFFFAOYSA-N 0 3 334.803 3.173 20 10 EGCDHN CCOc1ccc(C[NH2+]CC(=O)Nc2ccc(Cl)cc2)c([O-])c1 ZINC000725849477 1298374219 /nfs/dbraw/zinc/37/42/19/1298374219.db2.gz JJVZFBCNEIWZTJ-UHFFFAOYSA-N 0 3 334.803 3.173 20 10 EGCDHN Cc1ccc(CN2CCN(c3ncnc4sccc43)CC2)c(O)c1 ZINC000876561339 1298826710 /nfs/dbraw/zinc/82/67/10/1298826710.db2.gz RLMGGZMPRWMZEB-UHFFFAOYSA-N 0 3 340.452 3.028 20 10 EGCDHN Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(C)cc3[O-])C2)nc1 ZINC000876596004 1298856325 /nfs/dbraw/zinc/85/63/25/1298856325.db2.gz IKLYJJNCPUDCLR-QGZVFWFLSA-N 0 3 339.439 3.255 20 10 EGCDHN Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(C)cc3[O-])C2)nc1 ZINC000876596004 1298856332 /nfs/dbraw/zinc/85/63/32/1298856332.db2.gz IKLYJJNCPUDCLR-QGZVFWFLSA-N 0 3 339.439 3.255 20 10 EGCDHN Nc1c(F)cccc1CNCc1ccc(N2CCSCC2)cc1 ZINC000876943633 1299079143 /nfs/dbraw/zinc/07/91/43/1299079143.db2.gz TVNAECSKIOMAGX-UHFFFAOYSA-N 0 3 331.460 3.251 20 10 EGCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000877505401 1299353593 /nfs/dbraw/zinc/35/35/93/1299353593.db2.gz SZIIQPYDGIDDTG-INIZCTEOSA-N 0 3 325.412 3.097 20 10 EGCDHN Cc1ccc(C[NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)c([O-])c1 ZINC000877505543 1299354106 /nfs/dbraw/zinc/35/41/06/1299354106.db2.gz VHQQWFZZGBTLLT-KRWDZBQOSA-N 0 3 325.412 3.097 20 10 EGCDHN Cc1ccc(C[NH2+]C[C@@H](O)c2ccccc2Br)c([O-])c1 ZINC000877576046 1299411121 /nfs/dbraw/zinc/41/11/21/1299411121.db2.gz DFYPVHLAANBDCV-MRXNPFEDSA-N 0 3 336.229 3.286 20 10 EGCDHN CCOc1ccc(CN2CCN(c3ccc(C)cc3)CC2)c(O)c1 ZINC000753577179 1299978657 /nfs/dbraw/zinc/97/86/57/1299978657.db2.gz RYHPPYJLUZPOAQ-UHFFFAOYSA-N 0 3 326.440 3.422 20 10 EGCDHN COc1ccc(CCN2CCN(c3ccc(OC)c(F)c3)CC2)cc1 ZINC000753858568 1300030878 /nfs/dbraw/zinc/03/08/78/1300030878.db2.gz WPRDSJOBRAUNSJ-UHFFFAOYSA-N 0 3 344.430 3.208 20 10 EGCDHN Cc1ccc([C@@H](C)NCC(=O)NCc2ccc(N(C)C)cc2)s1 ZINC000754667035 1300186986 /nfs/dbraw/zinc/18/69/86/1300186986.db2.gz CJITVNIRRIISEK-CQSZACIVSA-N 0 3 331.485 3.090 20 10 EGCDHN COCCOc1ncccc1CN[C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756432196 1300489838 /nfs/dbraw/zinc/48/98/38/1300489838.db2.gz PYLPPBQBILTVHP-WFASDCNBSA-N 0 3 346.402 3.290 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+]CCNC(=O)c2ccccc2F)c2c1c(F)ccc2[O-] ZINC000756460727 1300497067 /nfs/dbraw/zinc/49/70/67/1300497067.db2.gz RAKLIJHABBERGN-IAQYHMDHSA-N 0 3 346.377 3.238 20 10 EGCDHN C[C@H]1C[C@@H]([NH2+]C2CCN(CC(F)F)CC2)c2c1c(F)ccc2[O-] ZINC000756501700 1300508226 /nfs/dbraw/zinc/50/82/26/1300508226.db2.gz FZJRWWAMVBLAII-GXFFZTMASA-N 0 3 328.378 3.399 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+]CCC(=O)NCc2ccccc2)c2c1c(F)ccc2[O-] ZINC000756511634 1300512035 /nfs/dbraw/zinc/51/20/35/1300512035.db2.gz XNPJDYTVIMUNCR-CJNGLKHVSA-N 0 3 342.414 3.376 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+]CC2(N3CCCC3)CCOCC2)c2c1c(F)ccc2[O-] ZINC000756545067 1300518368 /nfs/dbraw/zinc/51/83/68/1300518368.db2.gz XWHQYZQNQYXITQ-GDBMZVCRSA-N 0 3 348.462 3.314 20 10 EGCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](CCN(C)C)C(C)(C)C)c1 ZINC000756587764 1300527103 /nfs/dbraw/zinc/52/71/03/1300527103.db2.gz CJNNCVKMAQFMHO-CXAGYDPISA-N 0 3 336.476 3.196 20 10 EGCDHN Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756737232 1300556364 /nfs/dbraw/zinc/55/63/64/1300556364.db2.gz LKIGJOJDJAYZQE-TZMCWYRMSA-N 0 3 346.402 3.391 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+][C@H](CO)Cc2ccc(F)cc2)c2c1c(F)ccc2[O-] ZINC000756774929 1300564289 /nfs/dbraw/zinc/56/42/89/1300564289.db2.gz MKMPNODYAPOROB-WPGHFRTFSA-N 0 3 333.378 3.412 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+][C@H](CO)Cc2ccc(F)cc2)c2c1c(F)ccc2[O-] ZINC000756774923 1300564303 /nfs/dbraw/zinc/56/43/03/1300564303.db2.gz MKMPNODYAPOROB-DIOULYMOSA-N 0 3 333.378 3.412 20 10 EGCDHN Cc1ccc(SCCNC(=O)C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000879648784 1300649097 /nfs/dbraw/zinc/64/90/97/1300649097.db2.gz DRIMGEUJQRPJBO-OAHLLOKOSA-N 0 3 344.480 3.260 20 10 EGCDHN CC[C@](C)(CC(=O)OC)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000757918827 1300757857 /nfs/dbraw/zinc/75/78/57/1300757857.db2.gz HILZKJXJBOVIGD-OAHLLOKOSA-N 0 3 344.249 3.285 20 10 EGCDHN CC[C@H](NCc1ccc(N(CC)CC)c(F)c1)[C@H](O)C(F)(F)F ZINC000765789237 1302326079 /nfs/dbraw/zinc/32/60/79/1302326079.db2.gz RYLHIKGHYSLIGY-ZFWWWQNUSA-N 0 3 336.373 3.463 20 10 EGCDHN CCOc1ccc(O)c(CN(C)Cc2ccc(OC)c(OC)c2)c1 ZINC000768169114 1302841747 /nfs/dbraw/zinc/84/17/47/1302841747.db2.gz PHKMTOWAMCHWOD-UHFFFAOYSA-N 0 3 331.412 3.440 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]1c1cccc(F)c1)[C@H](O)CO2 ZINC000768442592 1302902950 /nfs/dbraw/zinc/90/29/50/1302902950.db2.gz MGNMDXSPRNZKSL-FUHWJXTLSA-N 0 3 329.371 3.294 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]1c1cccc(F)c1)[C@H](O)CO2 ZINC000768442592 1302902965 /nfs/dbraw/zinc/90/29/65/1302902965.db2.gz MGNMDXSPRNZKSL-FUHWJXTLSA-N 0 3 329.371 3.294 20 10 EGCDHN Cc1ccc([C@H]2CCC[N@@H+]2Cc2cc3c(cc2[O-])OC[C@H]3O)cc1 ZINC000768441494 1302904672 /nfs/dbraw/zinc/90/46/72/1302904672.db2.gz MGYAPCGXTWNRTH-IEBWSBKVSA-N 0 3 325.408 3.464 20 10 EGCDHN Cc1ccc([C@H]2CCC[N@H+]2Cc2cc3c(cc2[O-])OC[C@H]3O)cc1 ZINC000768441494 1302904682 /nfs/dbraw/zinc/90/46/82/1302904682.db2.gz MGYAPCGXTWNRTH-IEBWSBKVSA-N 0 3 325.408 3.464 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]1Cc1ccccc1)[C@@H](O)CO2 ZINC000768442436 1302904889 /nfs/dbraw/zinc/90/48/89/1302904889.db2.gz WBINOIYJAFWCSY-LPHOPBHVSA-N 0 3 325.408 3.025 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]1Cc1ccccc1)[C@@H](O)CO2 ZINC000768442436 1302904895 /nfs/dbraw/zinc/90/48/95/1302904895.db2.gz WBINOIYJAFWCSY-LPHOPBHVSA-N 0 3 325.408 3.025 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCS[C@H](c3ccccc3)C1)[C@@H](O)CO2 ZINC000768446330 1302907293 /nfs/dbraw/zinc/90/72/93/1302907293.db2.gz MWAMFXLVMUMSLO-HKUYNNGSSA-N 0 3 343.448 3.108 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CCS[C@H](c3ccccc3)C1)[C@@H](O)CO2 ZINC000768446330 1302907302 /nfs/dbraw/zinc/90/73/02/1302907302.db2.gz MWAMFXLVMUMSLO-HKUYNNGSSA-N 0 3 343.448 3.108 20 10 EGCDHN CC[C@@H]1c2ccccc2CC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768445734 1302907549 /nfs/dbraw/zinc/90/75/49/1302907549.db2.gz IVCKTCQNFUZTAH-MJGOQNOKSA-N 0 3 325.408 3.327 20 10 EGCDHN CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768445734 1302907554 /nfs/dbraw/zinc/90/75/54/1302907554.db2.gz IVCKTCQNFUZTAH-MJGOQNOKSA-N 0 3 325.408 3.327 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCS[C@@H](c3ccccc3)C1)[C@@H](O)CO2 ZINC000768446336 1302907734 /nfs/dbraw/zinc/90/77/34/1302907734.db2.gz MWAMFXLVMUMSLO-PKOBYXMFSA-N 0 3 343.448 3.108 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CCS[C@@H](c3ccccc3)C1)[C@@H](O)CO2 ZINC000768446336 1302907751 /nfs/dbraw/zinc/90/77/51/1302907751.db2.gz MWAMFXLVMUMSLO-PKOBYXMFSA-N 0 3 343.448 3.108 20 10 EGCDHN COc1cccc([O-])c1C[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000769164352 1303061462 /nfs/dbraw/zinc/06/14/62/1303061462.db2.gz IFAASXQZQAFEHZ-UHFFFAOYSA-N 0 3 346.471 3.062 20 10 EGCDHN CN1CCCC[C@H]1CC[N@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000769483615 1303123723 /nfs/dbraw/zinc/12/37/23/1303123723.db2.gz QAOFWNQLCRKBLJ-AWEZNQCLSA-N 0 3 341.839 3.260 20 10 EGCDHN CN1CCCC[C@H]1CC[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000769483615 1303123727 /nfs/dbraw/zinc/12/37/27/1303123727.db2.gz QAOFWNQLCRKBLJ-AWEZNQCLSA-N 0 3 341.839 3.260 20 10 EGCDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)NCCc1ccccc1 ZINC000774480358 1303815162 /nfs/dbraw/zinc/81/51/62/1303815162.db2.gz AWKZFODWMPTALT-IRXDYDNUSA-N 0 3 339.483 3.151 20 10 EGCDHN CC(C)(C)[C@H](CO)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000775201387 1303924246 /nfs/dbraw/zinc/92/42/46/1303924246.db2.gz SQKYKSRCQRVACD-IBGZPJMESA-N 0 3 329.440 3.468 20 10 EGCDHN COc1ccc(O)c([C@@H](C)N[C@H](C)C(=O)Nc2cccc(C)c2)c1 ZINC000775371420 1303949088 /nfs/dbraw/zinc/94/90/88/1303949088.db2.gz XSIUPLSRCPUTJB-ZIAGYGMSSA-N 0 3 328.412 3.387 20 10 EGCDHN COc1cccc(NC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775833438 1304046335 /nfs/dbraw/zinc/04/63/35/1304046335.db2.gz IXWBMTXPJZXXKV-CQSZACIVSA-N 0 3 327.428 3.051 20 10 EGCDHN C[C@@H](NCC(=O)Nc1cc(F)ccc1F)c1ccc(N(C)C)cc1 ZINC000775835423 1304048215 /nfs/dbraw/zinc/04/82/15/1304048215.db2.gz YOTDMEGCUQSELG-GFCCVEGCSA-N 0 3 333.382 3.320 20 10 EGCDHN [O-]c1ccccc1C[N@H+](CCN1C[C@H]2CC[C@@H](C1)O2)C1CCCC1 ZINC000775970921 1304072340 /nfs/dbraw/zinc/07/23/40/1304072340.db2.gz DYZIMJWRTJUCIA-KDURUIRLSA-N 0 3 330.472 3.000 20 10 EGCDHN [O-]c1ccccc1C[N@@H+](CCN1C[C@H]2CC[C@@H](C1)O2)C1CCCC1 ZINC000775970921 1304072346 /nfs/dbraw/zinc/07/23/46/1304072346.db2.gz DYZIMJWRTJUCIA-KDURUIRLSA-N 0 3 330.472 3.000 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+]C2CCC(C)(O)CC2)c1[O-] ZINC000776222555 1304116935 /nfs/dbraw/zinc/11/69/35/1304116935.db2.gz OOXQAKAHIZEUDL-UHFFFAOYSA-N 0 3 328.250 3.246 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCN2CC[C@H](C)C2)c1[O-] ZINC000779027728 1304520448 /nfs/dbraw/zinc/52/04/48/1304520448.db2.gz UBYJLMMMHCBOPA-WCQYABFASA-N 0 3 341.293 3.456 20 10 EGCDHN Cc1cc(O)c(CN2CCCN(C(=O)C3CC3)CC2)cc1C(C)C ZINC000780472327 1304697637 /nfs/dbraw/zinc/69/76/37/1304697637.db2.gz CUHYESMOERMZTR-UHFFFAOYSA-N 0 3 330.472 3.268 20 10 EGCDHN CCN(CC)c1ccc(CN(C)CCn2c(C)ncc2[N+](=O)[O-])cc1 ZINC000781619967 1304849915 /nfs/dbraw/zinc/84/99/15/1304849915.db2.gz XDRGURDTEQIZQJ-UHFFFAOYSA-N 0 3 345.447 3.078 20 10 EGCDHN CN(C)c1ccc([C@H](CNC(=O)C2CC3(CCC3)C2)N(C)C)cc1 ZINC000891245246 1304999529 /nfs/dbraw/zinc/99/95/29/1304999529.db2.gz BFMROLUQBYAHGF-SFHVURJKSA-N 0 3 329.488 3.052 20 10 EGCDHN COc1ccc2c(c1)CCCN(Cc1ccc(OC)c(OC)c1O)C2 ZINC000891932950 1305213579 /nfs/dbraw/zinc/21/35/79/1305213579.db2.gz IPNYUDHBORJEIB-UHFFFAOYSA-N 0 3 343.423 3.366 20 10 EGCDHN COc1ccc(C[N@H+](C)[C@H](C)Cc2ccc(O)cc2)c([O-])c1OC ZINC000892019978 1305230333 /nfs/dbraw/zinc/23/03/33/1305230333.db2.gz XVTDCZCBMATBCW-CYBMUJFWSA-N 0 3 331.412 3.178 20 10 EGCDHN COc1ccc(C[N@@H+](C)[C@H](C)Cc2ccc(O)cc2)c([O-])c1OC ZINC000892019978 1305230336 /nfs/dbraw/zinc/23/03/36/1305230336.db2.gz XVTDCZCBMATBCW-CYBMUJFWSA-N 0 3 331.412 3.178 20 10 EGCDHN COc1ccc(CN2CCCC[C@@H]2c2cccn2C)c(O)c1OC ZINC000892194095 1305277690 /nfs/dbraw/zinc/27/76/90/1305277690.db2.gz RZSBMGWAIJZSFD-MRXNPFEDSA-N 0 3 330.428 3.475 20 10 EGCDHN COc1ccc(F)cc1[C@H](C)NCc1ccc(OC)c(OC)c1O ZINC000892606693 1305467284 /nfs/dbraw/zinc/46/72/84/1305467284.db2.gz LANWVCQVRIKFPO-NSHDSACASA-N 0 3 335.375 3.408 20 10 EGCDHN CCOC(=O)[C@@](C)(C[NH2+]Cc1c([O-])cccc1OC)c1ccccc1 ZINC000787436794 1305745590 /nfs/dbraw/zinc/74/55/90/1305745590.db2.gz JIEWRZPQMCTOFJ-FQEVSTJZSA-N 0 3 343.423 3.011 20 10 EGCDHN COCC[C@H](NCc1ccc(OC)c(OC)c1O)c1ccc(C)o1 ZINC000893400544 1305873031 /nfs/dbraw/zinc/87/30/31/1305873031.db2.gz FVLREMCIPLKZHD-AWEZNQCLSA-N 0 3 335.400 3.178 20 10 EGCDHN COc1cc(C)cc(CN[C@H](CC(=O)N(C)C)c2ccccc2)c1O ZINC000894207173 1306276169 /nfs/dbraw/zinc/27/61/69/1306276169.db2.gz RMJYQDSOJCWRMJ-QGZVFWFLSA-N 0 3 342.439 3.018 20 10 EGCDHN CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000790892007 1308882545 /nfs/dbraw/zinc/88/25/45/1308882545.db2.gz SUZZKFWPJQEPEX-SFHVURJKSA-N 0 3 347.503 3.434 20 10 EGCDHN COc1cccc([O-])c1C[NH2+]C[C@@](C)(Cc1ccccc1)[C@H](C)O ZINC000791003307 1308908276 /nfs/dbraw/zinc/90/82/76/1308908276.db2.gz MOZHJVWXAVGHKH-MGPUTAFESA-N 0 3 329.440 3.120 20 10 EGCDHN CCOc1ccc(O)c(CN2CCN(C)[C@H](Cc3ccccc3)C2)c1 ZINC000793620656 1309419569 /nfs/dbraw/zinc/41/95/69/1309419569.db2.gz QSVWIUCEGHWRLG-LJQANCHMSA-N 0 3 340.467 3.150 20 10 EGCDHN CCn1cc(CC[N@H+](Cc2ccco2)Cc2ccccc2[O-])cn1 ZINC000794559462 1309546252 /nfs/dbraw/zinc/54/62/52/1309546252.db2.gz GZMMOWWUTCRQNL-UHFFFAOYSA-N 0 3 325.412 3.447 20 10 EGCDHN CCn1cc(CC[N@@H+](Cc2ccco2)Cc2ccccc2[O-])cn1 ZINC000794559462 1309546255 /nfs/dbraw/zinc/54/62/55/1309546255.db2.gz GZMMOWWUTCRQNL-UHFFFAOYSA-N 0 3 325.412 3.447 20 10 EGCDHN COc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000896948402 1310101430 /nfs/dbraw/zinc/10/14/30/1310101430.db2.gz NWQAQWGCVOLWMY-MRXNPFEDSA-N 0 3 340.423 3.252 20 10 EGCDHN COc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000896948402 1310101434 /nfs/dbraw/zinc/10/14/34/1310101434.db2.gz NWQAQWGCVOLWMY-MRXNPFEDSA-N 0 3 340.423 3.252 20 10 EGCDHN CCCCN(CC(=O)N(C)CC(F)(F)F)Cc1ccccc1O ZINC000801597006 1310971354 /nfs/dbraw/zinc/97/13/54/1310971354.db2.gz XJTOYNOCLDMDRQ-UHFFFAOYSA-N 0 3 332.366 3.015 20 10 EGCDHN CCCN(C(=O)NCc1ccc(N(CC)CC)cc1)[C@H]1CCN(C)C1 ZINC000825832287 1320365198 /nfs/dbraw/zinc/36/51/98/1320365198.db2.gz MAWQVKULTGOULR-IBGZPJMESA-N 0 3 346.519 3.159 20 10 EGCDHN CC[C@@](C)(NCC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000839541112 1320935335 /nfs/dbraw/zinc/93/53/35/1320935335.db2.gz RPUVCWKCNKORCR-OAQYLSRUSA-N 0 3 339.483 3.284 20 10 EGCDHN CC[C@@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1=O)c1ccccc1[O-] ZINC000839540224 1320935350 /nfs/dbraw/zinc/93/53/50/1320935350.db2.gz IZAFYHKQMDPXCU-SJORKVTESA-N 0 3 328.387 3.378 20 10 EGCDHN CCCCN(Cc1ccc(C(=O)N(C)C)[nH]1)Cc1ccccc1O ZINC000802657799 1317023811 /nfs/dbraw/zinc/02/38/11/1317023811.db2.gz SZMTZVIZZRYGSA-UHFFFAOYSA-N 0 3 329.444 3.224 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)[C@H](C)N2CCOCC2)c1[O-] ZINC000808690684 1317716148 /nfs/dbraw/zinc/71/61/48/1317716148.db2.gz BMWPOSRCIPBYFF-IHRRRGAJSA-N 0 3 326.868 3.114 20 10 EGCDHN Cc1cc(C)c([C@H](C)[NH2+]C2CCN(C[C@H]3CCCO3)CC2)c([O-])c1 ZINC000815579963 1319020363 /nfs/dbraw/zinc/02/03/63/1319020363.db2.gz ZQNFLOWTWQNGAA-FUHWJXTLSA-N 0 3 332.488 3.303 20 10 EGCDHN [O-]c1c(C[N@@H+]2CCCN(C[C@H]3CCCO3)CC2)ccc2ccccc21 ZINC000816484514 1319163121 /nfs/dbraw/zinc/16/31/21/1319163121.db2.gz FLTSOZAPEDBLAQ-LJQANCHMSA-N 0 3 340.467 3.232 20 10 EGCDHN [O-]c1c(C[N@H+]2CCCN(C[C@H]3CCCO3)CC2)ccc2ccccc21 ZINC000816484514 1319163123 /nfs/dbraw/zinc/16/31/23/1319163123.db2.gz FLTSOZAPEDBLAQ-LJQANCHMSA-N 0 3 340.467 3.232 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+]C[C@@]2(O)CCC[C@@H]2C)c1[O-] ZINC000816661345 1319202762 /nfs/dbraw/zinc/20/27/62/1319202762.db2.gz KQLHDJOGWPFDCW-NHYWBVRUSA-N 0 3 328.250 3.104 20 10 EGCDHN COc1ccc(N2CC[C@H](CN[C@@H]3C[C@@H](C)n4ccnc43)C2)cc1 ZINC000818341601 1319530731 /nfs/dbraw/zinc/53/07/31/1319530731.db2.gz BQTPEQGZBAANQE-IIDMSEBBSA-N 0 3 326.444 3.014 20 10 EGCDHN CC1CCN(c2ccc(CNC[C@](C)(O)C(F)(F)F)cc2)CC1 ZINC000819040267 1319620084 /nfs/dbraw/zinc/62/00/84/1319620084.db2.gz YERIGJCGQWJJLB-INIZCTEOSA-N 0 3 330.394 3.326 20 10 EGCDHN C[N@H+](Cc1ccccc1[O-])C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000823408806 1320177155 /nfs/dbraw/zinc/17/71/55/1320177155.db2.gz QLZKGKPVTRSILH-KXBFYZLASA-N 0 3 332.444 3.081 20 10 EGCDHN C[N@@H+](Cc1ccccc1[O-])C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000823408806 1320177156 /nfs/dbraw/zinc/17/71/56/1320177156.db2.gz QLZKGKPVTRSILH-KXBFYZLASA-N 0 3 332.444 3.081 20 10 EGCDHN CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2[O-])[C@H]1n1cccn1 ZINC000825118170 1320312880 /nfs/dbraw/zinc/31/28/80/1320312880.db2.gz PZWBWROLQFCFJD-DJIMGWMZSA-N 0 3 333.407 3.015 20 10 EGCDHN C[NH+](C)[C@H]1CCCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000825697791 1320356069 /nfs/dbraw/zinc/35/60/69/1320356069.db2.gz JTSQIXDUPYETGJ-AWEZNQCLSA-N 0 3 327.266 3.071 20 10 EGCDHN COc1ccc2c(c1)CCN(Cc1ccc(N3CCOCC3)cc1)C2 ZINC000827304692 1320441895 /nfs/dbraw/zinc/44/18/95/1320441895.db2.gz CEHVPFXELMLXCT-UHFFFAOYSA-N 0 3 338.451 3.090 20 10 EGCDHN COc1cccc(O)c1CN1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000839192306 1320891342 /nfs/dbraw/zinc/89/13/42/1320891342.db2.gz KDWBJWMQTAYAIW-UHFFFAOYSA-N 0 3 348.830 3.493 20 10 EGCDHN COc1cccc([O-])c1C[NH+]1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000839192306 1320891345 /nfs/dbraw/zinc/89/13/45/1320891345.db2.gz KDWBJWMQTAYAIW-UHFFFAOYSA-N 0 3 348.830 3.493 20 10 EGCDHN CC[C@H]([NH2+]CC(C)(C)[C@H]1COCC12OCCO2)c1ccc(C)cc1[O-] ZINC000840796535 1321150084 /nfs/dbraw/zinc/15/00/84/1321150084.db2.gz GCGLXHKFWMZQRL-FUHWJXTLSA-N 0 3 349.471 3.157 20 10 EGCDHN Cc1cc(N(C)C)ccc1CN1CCCN(c2ncccc2F)CC1 ZINC000840940170 1321181685 /nfs/dbraw/zinc/18/16/85/1321181685.db2.gz VPTSKQGJUCCVQW-UHFFFAOYSA-N 0 3 342.462 3.307 20 10 EGCDHN CC[C@H]([NH2+]Cc1cc(Br)cc(OC)c1[O-])[C@@H](O)C(C)C ZINC000840968314 1321189671 /nfs/dbraw/zinc/18/96/71/1321189671.db2.gz WWUQTTOEWVTWLK-JSGCOSHPSA-N 0 3 346.265 3.048 20 10 EGCDHN C[C@H]([NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1)c1ccc(Cl)cc1[O-] ZINC000841750768 1321306811 /nfs/dbraw/zinc/30/68/11/1321306811.db2.gz JCEMODURPFZWBF-AFAVFJNCSA-N 0 3 338.879 3.074 20 10 EGCDHN C[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(Cl)cc1[O-] ZINC000841757268 1321307474 /nfs/dbraw/zinc/30/74/74/1321307474.db2.gz CTJIEDPXNTWKJS-ZIAGYGMSSA-N 0 3 338.879 3.197 20 10 EGCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])c1ccc(N2CCNC2=O)cc1 ZINC000842899340 1321447955 /nfs/dbraw/zinc/44/79/55/1321447955.db2.gz DTMANKFVPYDTAS-ZIAGYGMSSA-N 0 3 325.412 3.334 20 10 EGCDHN Cc1cc(Br)c([O-])c(C[N@@H+](C2CC2)C2CCNCC2)c1 ZINC000843044067 1321460581 /nfs/dbraw/zinc/46/05/81/1321460581.db2.gz RROIKTYTTFFGLD-UHFFFAOYSA-N 0 3 339.277 3.180 20 10 EGCDHN Cc1cc(Br)c([O-])c(C[N@H+](C2CC2)C2CCNCC2)c1 ZINC000843044067 1321460577 /nfs/dbraw/zinc/46/05/77/1321460577.db2.gz RROIKTYTTFFGLD-UHFFFAOYSA-N 0 3 339.277 3.180 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+]2CC3(C[C@H]2C)CCOCC3)c1[O-] ZINC000843432223 1321518177 /nfs/dbraw/zinc/51/81/77/1321518177.db2.gz SFWUILSHOSGTCS-GFCCVEGCSA-N 0 3 325.836 3.445 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+]2CC3(C[C@H]2C)CCOCC3)c1[O-] ZINC000843432223 1321518179 /nfs/dbraw/zinc/51/81/79/1321518179.db2.gz SFWUILSHOSGTCS-GFCCVEGCSA-N 0 3 325.836 3.445 20 10 EGCDHN COC(=O)/C=C/c1ccc(CN[C@@H](C)c2cc(OC)ccc2O)o1 ZINC000848910855 1322043756 /nfs/dbraw/zinc/04/37/56/1322043756.db2.gz AHIMXAKZSZLLPC-CRALRDPISA-N 0 3 331.368 3.031 20 10 EGCDHN Cn1ncc(C2CC2)c1CNCc1ccc(N2CCSCC2)cc1 ZINC000850034014 1322186600 /nfs/dbraw/zinc/18/66/00/1322186600.db2.gz GCHPWXABYILUQH-UHFFFAOYSA-N 0 3 342.512 3.141 20 10 EGCDHN COc1cccc(CNCc2ccc(N3CCOCC3)c(F)c2)c1C ZINC000850416504 1322243119 /nfs/dbraw/zinc/24/31/19/1322243119.db2.gz KPDKZENCTIYLEG-UHFFFAOYSA-N 0 3 344.430 3.269 20 10 EGCDHN COC(=O)N(C)CC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000850548363 1322264085 /nfs/dbraw/zinc/26/40/85/1322264085.db2.gz PFJCZTICPOXKMA-GOSISDBHSA-N 0 3 342.439 3.354 20 10 EGCDHN C[C@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000853241025 1325070834 /nfs/dbraw/zinc/07/08/34/1325070834.db2.gz RUAPBALNDVGKPP-ZFWWWQNUSA-N 0 3 333.432 3.073 20 10 EGCDHN Cc1ccc(O)c(CNC(=O)c2oc3ccccc3c2CN(C)C)c1 ZINC000862760366 1329507378 /nfs/dbraw/zinc/50/73/78/1329507378.db2.gz QVWNUPGKCFFVOG-UHFFFAOYSA-N 0 3 338.407 3.438 20 10 EGCDHN CCOc1ccc(C[NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)c([O-])c1 ZINC000865731742 1329733663 /nfs/dbraw/zinc/73/36/63/1329733663.db2.gz YDMWTBPKWYZADY-LLVKDONJSA-N 0 3 328.368 3.489 20 10 EGCDHN Cc1ccc([C@@H](CNC(=O)N[C@H](C)c2ccccc2O)N(C)C)cc1 ZINC000868212679 1330262487 /nfs/dbraw/zinc/26/24/87/1330262487.db2.gz ADQXAFXEIKXNGJ-CRAIPNDOSA-N 0 3 341.455 3.364 20 10 EGCDHN CCOC(=O)N(C)C1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001323309004 1387331802 /nfs/dbraw/zinc/33/18/02/1387331802.db2.gz BAKYQFUJRVEKSV-UHFFFAOYSA-N 0 3 345.487 3.340 20 10 EGCDHN O=C1N(c2cccc(F)c2)CC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001203556681 1370168833 /nfs/dbraw/zinc/16/88/33/1370168833.db2.gz TTXABMYMIJYVPS-UHFFFAOYSA-N 0 3 340.398 3.160 20 10 EGCDHN COc1ccc(C[NH+]2CCC(O)(c3ccc(C)cc3)CC2)c([O-])c1 ZINC001203617024 1370189355 /nfs/dbraw/zinc/18/93/55/1370189355.db2.gz GHMYJMOCODUXDZ-UHFFFAOYSA-N 0 3 327.424 3.193 20 10 EGCDHN CCOc1ccc(N2CCN(Cc3cc(OC)ccc3O)CC2)cc1 ZINC001203680773 1370215925 /nfs/dbraw/zinc/21/59/25/1370215925.db2.gz DNRGDHLRSHHDJG-UHFFFAOYSA-N 0 3 342.439 3.122 20 10 EGCDHN CN(C)c1ccc(CN2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)cc1 ZINC001203931978 1370319926 /nfs/dbraw/zinc/31/99/26/1370319926.db2.gz ZXAYZEDVGQLDSG-FUHWJXTLSA-N 0 3 345.487 3.194 20 10 EGCDHN CN(C)c1ccc(CN2CCC[C@@H](N3Cc4ccccc4C3=O)C2)cc1 ZINC001203937612 1370321926 /nfs/dbraw/zinc/32/19/26/1370321926.db2.gz ZZUAIWQRNZSBCO-HXUWFJFHSA-N 0 3 349.478 3.373 20 10 EGCDHN Cc1csc([C@H]2C[C@@H]3CCN(Cc4ccc(O)cc4O)C[C@H]3O2)n1 ZINC001204273442 1370428521 /nfs/dbraw/zinc/42/85/21/1370428521.db2.gz POYNTANWDYICQR-JCURWCKSSA-N 0 3 346.452 3.215 20 10 EGCDHN Cc1ccc(C)n1-c1ccc(CN2CCC[C@]3(CNC(=O)O3)C2)cc1 ZINC001209519892 1372127894 /nfs/dbraw/zinc/12/78/94/1372127894.db2.gz JLXHYMSTBPSZEG-FQEVSTJZSA-N 0 3 339.439 3.169 20 10 EGCDHN COc1ccc(CN2CCN(Cc3c(C)cc(C)cc3O)CC2)cc1 ZINC001231845948 1376325235 /nfs/dbraw/zinc/32/52/35/1376325235.db2.gz WHJWWFXZEWCFRH-UHFFFAOYSA-N 0 3 340.467 3.335 20 10 EGCDHN COc1cccnc1O[C@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC001231870926 1376333906 /nfs/dbraw/zinc/33/39/06/1376333906.db2.gz DPTPHTBJURIUCC-AWEZNQCLSA-N 0 3 348.830 3.411 20 10 EGCDHN COc1cccnc1O[C@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC001231870926 1376333915 /nfs/dbraw/zinc/33/39/15/1376333915.db2.gz DPTPHTBJURIUCC-AWEZNQCLSA-N 0 3 348.830 3.411 20 10 EGCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H](Oc3ccncc3)C2)cc1Cl ZINC001232270462 1376428115 /nfs/dbraw/zinc/42/81/15/1376428115.db2.gz BWHYXGYESXFRKT-HNNXBMFYSA-N 0 3 348.830 3.493 20 10 EGCDHN COc1cc([O-])c(C[N@H+]2CCC[C@H](Oc3ccncc3)C2)cc1Cl ZINC001232270462 1376428120 /nfs/dbraw/zinc/42/81/20/1376428120.db2.gz BWHYXGYESXFRKT-HNNXBMFYSA-N 0 3 348.830 3.493 20 10 EGCDHN CCOC(=O)[C@@]1(C)CCCN(Cc2cc(Cl)cc(OC)c2O)C1 ZINC001233290478 1376605478 /nfs/dbraw/zinc/60/54/78/1376605478.db2.gz DSGFFDDSNQKYOX-KRWDZBQOSA-N 0 3 341.835 3.219 20 10 EGCDHN CCOC(=O)[C@@]1(C)CCC[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC001233290478 1376605486 /nfs/dbraw/zinc/60/54/86/1376605486.db2.gz DSGFFDDSNQKYOX-KRWDZBQOSA-N 0 3 341.835 3.219 20 10 EGCDHN CCOC(=O)[C@@]1(C)CCC[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC001233290478 1376605488 /nfs/dbraw/zinc/60/54/88/1376605488.db2.gz DSGFFDDSNQKYOX-KRWDZBQOSA-N 0 3 341.835 3.219 20 10 EGCDHN COc1ccc(N2CCN(Cc3ccc(C(C)C)cc3O)CC2)nc1 ZINC001237051030 1376972893 /nfs/dbraw/zinc/97/28/93/1376972893.db2.gz GWKLMJKWYOAGMB-UHFFFAOYSA-N 0 3 341.455 3.241 20 10 EGCDHN Oc1ccc(C(F)(F)F)cc1CN1CCC(N2CC(F)C2)CC1 ZINC001237140315 1376975368 /nfs/dbraw/zinc/97/53/68/1376975368.db2.gz JFOAKEYJEJJDBL-UHFFFAOYSA-N 0 3 332.341 3.029 20 10 EGCDHN [O-]c1ccc(C(F)(F)F)cc1C[NH+]1CCC(N2CC(F)C2)CC1 ZINC001237140315 1376975372 /nfs/dbraw/zinc/97/53/72/1376975372.db2.gz JFOAKEYJEJJDBL-UHFFFAOYSA-N 0 3 332.341 3.029 20 10 EGCDHN Oc1ccc(C(F)(F)F)cc1CN1CC[C@@H](Oc2ccncc2)C1 ZINC001237142308 1376976766 /nfs/dbraw/zinc/97/67/66/1376976766.db2.gz GVCKGZSFMJCKNI-OAHLLOKOSA-N 0 3 338.329 3.459 20 10 EGCDHN CCOc1ccccc1N1CCN(Cc2c(O)cccc2F)CC1 ZINC001137831989 1377624087 /nfs/dbraw/zinc/62/40/87/1377624087.db2.gz VUKSBVYVSPQTGR-UHFFFAOYSA-N 0 3 330.403 3.252 20 10 EGCDHN Oc1c(CN2CCc3ccncc3C2)cc2c3c1CCCN3CCC2 ZINC001138339194 1377705576 /nfs/dbraw/zinc/70/55/76/1377705576.db2.gz BIOIDJLCVSUCNI-UHFFFAOYSA-N 0 3 335.451 3.044 20 10 EGCDHN Oc1c(CN2CCc3cccnc3C2)cc2c3c1CCCN3CCC2 ZINC001138343151 1377706530 /nfs/dbraw/zinc/70/65/30/1377706530.db2.gz YLQHJOWTLHXOPN-UHFFFAOYSA-N 0 3 335.451 3.044 20 10 EGCDHN CN1CCCc2cc(CN3CCC[C@@H](C(F)(F)F)[C@H]3CO)ccc21 ZINC001138354488 1377708311 /nfs/dbraw/zinc/70/83/11/1377708311.db2.gz LLUBDYLHDZHVLX-NVXWUHKLSA-N 0 3 342.405 3.204 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC[C@@](F)(CO)CC2)c(OC)c1 ZINC001138386679 1377714066 /nfs/dbraw/zinc/71/40/66/1377714066.db2.gz SPGYIQJNYPNTLK-IBGZPJMESA-N 0 3 338.467 3.228 20 10 EGCDHN CC(C)[N@H+](CCNC(=O)OC(C)(C)C)Cc1cc(F)ccc1[O-] ZINC001140058492 1377998239 /nfs/dbraw/zinc/99/82/39/1377998239.db2.gz CSIFEAGJEMIDTM-UHFFFAOYSA-N 0 3 326.412 3.266 20 10 EGCDHN CC(C)[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cc(F)ccc1[O-] ZINC001140058492 1377998240 /nfs/dbraw/zinc/99/82/40/1377998240.db2.gz CSIFEAGJEMIDTM-UHFFFAOYSA-N 0 3 326.412 3.266 20 10 EGCDHN CCOC(=O)Cc1ccc2c(c1)CN(Cc1cc(F)ccc1O)CC2 ZINC001140057668 1377998288 /nfs/dbraw/zinc/99/82/88/1377998288.db2.gz JNGJSNOJVVKKRC-UHFFFAOYSA-N 0 3 343.398 3.195 20 10 EGCDHN CCOC(=O)Cc1ccc2c(c1)C[N@@H+](Cc1cc(F)ccc1[O-])CC2 ZINC001140057668 1377998289 /nfs/dbraw/zinc/99/82/89/1377998289.db2.gz JNGJSNOJVVKKRC-UHFFFAOYSA-N 0 3 343.398 3.195 20 10 EGCDHN CCOC(=O)Cc1ccc2c(c1)C[N@H+](Cc1cc(F)ccc1[O-])CC2 ZINC001140057668 1377998290 /nfs/dbraw/zinc/99/82/90/1377998290.db2.gz JNGJSNOJVVKKRC-UHFFFAOYSA-N 0 3 343.398 3.195 20 10 EGCDHN CC[N@H+](CCN(C)C(=O)OC(C)(C)C)Cc1cc(F)ccc1[O-] ZINC001140060126 1377998537 /nfs/dbraw/zinc/99/85/37/1377998537.db2.gz LSNXTYAMHRLUEE-UHFFFAOYSA-N 0 3 326.412 3.220 20 10 EGCDHN CC[N@@H+](CCN(C)C(=O)OC(C)(C)C)Cc1cc(F)ccc1[O-] ZINC001140060126 1377998538 /nfs/dbraw/zinc/99/85/38/1377998538.db2.gz LSNXTYAMHRLUEE-UHFFFAOYSA-N 0 3 326.412 3.220 20 10 EGCDHN OC1CCN(c2ccc(CN3CC[C@@H](F)C(F)(F)CC3)cc2)CC1 ZINC001140281569 1378039700 /nfs/dbraw/zinc/03/97/00/1378039700.db2.gz JJNNWMLGEYTVAX-QGZVFWFLSA-N 0 3 342.405 3.217 20 10 EGCDHN [O-]c1cccc(Cl)c1CN1CC[C@@H]([NH+]2CCCCC2)[C@@H](F)C1 ZINC001140342291 1378050025 /nfs/dbraw/zinc/05/00/25/1378050025.db2.gz BXWJEMSNBDNSDL-JKSUJKDBSA-N 0 3 326.843 3.444 20 10 EGCDHN [O-]c1cc(Cl)ccc1C[NH+]1C[C@@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001140467504 1378069110 /nfs/dbraw/zinc/06/91/10/1378069110.db2.gz RTUMPGKSWFBWEK-HZPDHXFCSA-N 0 3 343.858 3.004 20 10 EGCDHN O=C1C[C@@]2(CN1C1CCCC1)CCCC[N@H+]2Cc1ccccc1[O-] ZINC001272618430 1378076431 /nfs/dbraw/zinc/07/64/31/1378076431.db2.gz HQTFYCQEPBEXJE-HXUWFJFHSA-N 0 3 328.456 3.292 20 10 EGCDHN O=C1C[C@@]2(CN1C1CCCC1)CCCC[N@@H+]2Cc1ccccc1[O-] ZINC001272618430 1378076434 /nfs/dbraw/zinc/07/64/34/1378076434.db2.gz HQTFYCQEPBEXJE-HXUWFJFHSA-N 0 3 328.456 3.292 20 10 EGCDHN CCCCN1CC[C@@]2(CCC[N@H+](Cc3ccccc3[O-])CC2)C1=O ZINC001272618320 1378076462 /nfs/dbraw/zinc/07/64/62/1378076462.db2.gz FOVUIJMMZJJUFG-FQEVSTJZSA-N 0 3 330.472 3.397 20 10 EGCDHN CCCCN1CC[C@@]2(CCC[N@@H+](Cc3ccccc3[O-])CC2)C1=O ZINC001272618320 1378076466 /nfs/dbraw/zinc/07/64/66/1378076466.db2.gz FOVUIJMMZJJUFG-FQEVSTJZSA-N 0 3 330.472 3.397 20 10 EGCDHN Cc1c(O)ccc(CN2CCN(Cc3ccccc3)C[C@H]2C)c1O ZINC001140745538 1378128608 /nfs/dbraw/zinc/12/86/08/1378128608.db2.gz KCYJEQKJCNDUQI-OAHLLOKOSA-N 0 3 326.440 3.113 20 10 EGCDHN Cc1ccc(CN2CC3(C2)CCN(C(=O)OC(C)(C)C)C3)c(O)c1 ZINC001140948076 1378188909 /nfs/dbraw/zinc/18/89/09/1378188909.db2.gz RVPQOTBHFMOPHK-UHFFFAOYSA-N 0 3 332.444 3.143 20 10 EGCDHN Cc1ccc(C[N@@H+]2CC[C@]3(CC(=O)N(c4ccsc4)C3)C2)c([O-])c1 ZINC001140950516 1378190242 /nfs/dbraw/zinc/19/02/42/1378190242.db2.gz WSQNQAWZJAICCW-IBGZPJMESA-N 0 3 342.464 3.391 20 10 EGCDHN Cc1ccc(C[N@H+]2CC[C@]3(CC(=O)N(c4ccsc4)C3)C2)c([O-])c1 ZINC001140950516 1378190245 /nfs/dbraw/zinc/19/02/45/1378190245.db2.gz WSQNQAWZJAICCW-IBGZPJMESA-N 0 3 342.464 3.391 20 10 EGCDHN Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](C(N)=O)c2ccccc2)c([O-])c1 ZINC001140951096 1378190493 /nfs/dbraw/zinc/19/04/93/1378190493.db2.gz YUWLDQDGBFQBMX-ICSRJNTNSA-N 0 3 338.451 3.324 20 10 EGCDHN Cc1ccc(C[N@H+]2CCCC[C@H]2[C@@H](C(N)=O)c2ccccc2)c([O-])c1 ZINC001140951096 1378190498 /nfs/dbraw/zinc/19/04/98/1378190498.db2.gz YUWLDQDGBFQBMX-ICSRJNTNSA-N 0 3 338.451 3.324 20 10 EGCDHN Cc1ccc(C[NH+]2CCC3(CC2)C(=O)N[C@@H]3c2ccccc2)c([O-])c1 ZINC001140950221 1378190624 /nfs/dbraw/zinc/19/06/24/1378190624.db2.gz WAVBSMYKWXPJBM-LJQANCHMSA-N 0 3 336.435 3.154 20 10 EGCDHN Cc1ccc(C[NH+]2CCC3(C[C@H](c4cncnc4)CO3)CC2)c([O-])c1 ZINC001140952465 1378191794 /nfs/dbraw/zinc/19/17/94/1378191794.db2.gz STJCVWLVCCBODS-KRWDZBQOSA-N 0 3 339.439 3.029 20 10 EGCDHN Cc1ccc(CN2CCC[C@@H](NC(=O)c3cccc(F)c3)C2)c(O)c1 ZINC001140954216 1378191821 /nfs/dbraw/zinc/19/18/21/1378191821.db2.gz NIRYXERAEYSTPU-GOSISDBHSA-N 0 3 342.414 3.234 20 10 EGCDHN COc1cc([O-])c(C[NH+]2CCC3(CCC(=O)CC3)CC2)c(OC)c1 ZINC001141030624 1378212767 /nfs/dbraw/zinc/21/27/67/1378212767.db2.gz DSDHTJFDUMAEQZ-UHFFFAOYSA-N 0 3 333.428 3.135 20 10 EGCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)c(OC)c1 ZINC001141028229 1378213394 /nfs/dbraw/zinc/21/33/94/1378213394.db2.gz GQZLEPRJLGEMPH-OAHLLOKOSA-N 0 3 347.386 3.202 20 10 EGCDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)c(OC)c1 ZINC001141028229 1378213400 /nfs/dbraw/zinc/21/34/00/1378213400.db2.gz GQZLEPRJLGEMPH-OAHLLOKOSA-N 0 3 347.386 3.202 20 10 EGCDHN CN1CCOc2cc(CN3CC[C@@H](C(=O)c4ccccc4)C3)ccc21 ZINC001141145358 1378248343 /nfs/dbraw/zinc/24/83/43/1378248343.db2.gz AIBMCQZUCMIGLE-GOSISDBHSA-N 0 3 336.435 3.220 20 10 EGCDHN CCOC(=O)CCCN(Cc1ccccc1)Cc1cc(O)ccc1O ZINC001141162856 1378255580 /nfs/dbraw/zinc/25/55/80/1378255580.db2.gz HZOIMLTWFMGCRE-UHFFFAOYSA-N 0 3 343.423 3.443 20 10 EGCDHN Cc1nc(N(C)Cc2ccc(N(C)C)cc2)cc(N2CCCC2)n1 ZINC001156924303 1380729512 /nfs/dbraw/zinc/72/95/12/1380729512.db2.gz WLSNXHZVWOERFC-UHFFFAOYSA-N 0 3 325.460 3.088 20 10 EGCDHN CC[N@H+](Cc1ccccc1[O-])[C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172681911 1384832957 /nfs/dbraw/zinc/83/29/57/1384832957.db2.gz NILQQISHTOVQIB-LJQANCHMSA-N 0 3 338.451 3.405 20 10 EGCDHN CC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172681911 1384832961 /nfs/dbraw/zinc/83/29/61/1384832961.db2.gz NILQQISHTOVQIB-LJQANCHMSA-N 0 3 338.451 3.405 20 10 EGCDHN CN(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1c([O-])cccc1Br ZINC001348085735 1391171112 /nfs/dbraw/zinc/17/11/12/1391171112.db2.gz KDBFJSOMLYZGHX-UONOGXRCSA-N 0 3 327.266 3.117 20 10 EGCDHN Cc1cccc(CN[C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)c1O ZINC000529664014 313380584 /nfs/dbraw/zinc/38/05/84/313380584.db2.gz AXJMZDQOQMWIHY-OAHLLOKOSA-N 0 3 348.805 3.388 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCCC23CCOCC3)c1[O-] ZINC000282865926 456649727 /nfs/dbraw/zinc/64/97/27/456649727.db2.gz XPKFHCSZUMNRCW-HNNXBMFYSA-N 0 3 325.836 3.493 20 10 EGCDHN Cc1ccc(O)c(CN2CCC(O)(c3c(F)cccc3F)CC2)c1 ZINC000190027022 455273413 /nfs/dbraw/zinc/27/34/13/455273413.db2.gz VQTKCIQZVBJUAB-UHFFFAOYSA-N 0 3 333.378 3.462 20 10 EGCDHN C[C@@H]([NH2+][C@@H](CN1CCOCC1)c1ccccc1)c1ccccc1[O-] ZINC000183390855 455287498 /nfs/dbraw/zinc/28/74/98/455287498.db2.gz XXPZKAGCEGCUPE-APWZRJJASA-N 0 3 326.440 3.116 20 10 EGCDHN C[C@@H]1CN(c2ccc(CNCc3cccn3C)cc2F)C[C@@H](C)O1 ZINC000265660617 455358047 /nfs/dbraw/zinc/35/80/47/455358047.db2.gz RLXPXEHDCHBGSP-HUUCEWRRSA-N 0 3 331.435 3.068 20 10 EGCDHN CCCNC(=O)C1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000042674917 454020221 /nfs/dbraw/zinc/02/02/21/454020221.db2.gz CVRXZMMDANSKMF-UHFFFAOYSA-N 0 3 326.440 3.284 20 10 EGCDHN C[C@H](NCc1ccc(N2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000079724064 454469942 /nfs/dbraw/zinc/46/99/42/454469942.db2.gz SVKPJZBICJLMRW-HNNXBMFYSA-N 0 3 341.411 3.282 20 10 EGCDHN CCOc1cccc(C[NH2+]CCCn2cnc3ccccc32)c1[O-] ZINC000074335666 454566371 /nfs/dbraw/zinc/56/63/71/454566371.db2.gz WDQBNHSUQRZEKQ-UHFFFAOYSA-N 0 3 325.412 3.321 20 10 EGCDHN Cc1ccc([O-])c(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)c1 ZINC000092485088 454573704 /nfs/dbraw/zinc/57/37/04/454573704.db2.gz QZCGUTPJSQHROR-UHFFFAOYSA-N 0 3 330.453 3.157 20 10 EGCDHN COc1ccc([O-])c(C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)c1 ZINC000092565658 454587003 /nfs/dbraw/zinc/58/70/03/454587003.db2.gz ORROHTFESVMMLC-UHFFFAOYSA-N 0 3 335.444 3.391 20 10 EGCDHN CCCOc1ccc(CN2CCC[C@H]2[C@H](O)C(F)(F)F)c(O)c1 ZINC000123732265 454669591 /nfs/dbraw/zinc/66/95/91/454669591.db2.gz ASNBPRGYVXMXKD-ZFWWWQNUSA-N 0 3 333.350 3.069 20 10 EGCDHN COc1ccccc1[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000153528316 454803195 /nfs/dbraw/zinc/80/31/95/454803195.db2.gz YGNCTNVASHPXOC-ZDUSSCGKSA-N 0 3 327.380 3.119 20 10 EGCDHN COc1ccccc1[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000153528316 454803199 /nfs/dbraw/zinc/80/31/99/454803199.db2.gz YGNCTNVASHPXOC-ZDUSSCGKSA-N 0 3 327.380 3.119 20 10 EGCDHN CC[C@H](N)C(=O)N(Cc1ccc(N(C)C)cc1)c1ccc(OC)cc1 ZINC000163669813 454861625 /nfs/dbraw/zinc/86/16/25/454861625.db2.gz YHSGFQQKOVBNSG-IBGZPJMESA-N 0 3 341.455 3.032 20 10 EGCDHN Cc1nccn1-c1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000126344816 454887516 /nfs/dbraw/zinc/88/75/16/454887516.db2.gz IMKMGXJCRBRHST-HNNXBMFYSA-N 0 3 335.455 3.493 20 10 EGCDHN CC(=O)c1cc(F)cc(CN2CCC[C@H]([NH+]3CCCC3)CC2)c1[O-] ZINC000175707240 455484725 /nfs/dbraw/zinc/48/47/25/455484725.db2.gz QCEQWRLGIAJQJQ-KRWDZBQOSA-N 0 3 334.435 3.184 20 10 EGCDHN CC[C@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1ccccc1[O-] ZINC000155211737 454975788 /nfs/dbraw/zinc/97/57/88/454975788.db2.gz MUZDOZIVHNRIOB-SFHVURJKSA-N 0 3 342.439 3.100 20 10 EGCDHN CCCOc1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c([O-])c1 ZINC000151375760 454976505 /nfs/dbraw/zinc/97/65/05/454976505.db2.gz MKNPIUHSGWRTAQ-QAPCUYQASA-N 0 3 337.485 3.325 20 10 EGCDHN CN(C[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1)C(=O)OC(C)(C)C ZINC000179561772 455058560 /nfs/dbraw/zinc/05/85/60/455058560.db2.gz VIWJFCCFPPWIGO-OAHLLOKOSA-N 0 3 334.460 3.471 20 10 EGCDHN CN(C[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1)C(=O)OC(C)(C)C ZINC000179561772 455058565 /nfs/dbraw/zinc/05/85/65/455058565.db2.gz VIWJFCCFPPWIGO-OAHLLOKOSA-N 0 3 334.460 3.471 20 10 EGCDHN COc1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000179560199 455058645 /nfs/dbraw/zinc/05/86/45/455058645.db2.gz VVGDCIRTXCVVEW-UHFFFAOYSA-N 0 3 340.423 3.252 20 10 EGCDHN COCCN(Cc1ccccc1)Cc1cc(OC)c(OC)cc1O ZINC000179560419 455059035 /nfs/dbraw/zinc/05/90/35/455059035.db2.gz HVEGEICHLGAJIT-UHFFFAOYSA-N 0 3 331.412 3.058 20 10 EGCDHN C[C@H]1CN(CCC2CC[NH+](Cc3ccccc3[O-])CC2)C[C@H](C)O1 ZINC000179584089 455060974 /nfs/dbraw/zinc/06/09/74/455060974.db2.gz QGGRMNCBLGIOIK-IRXDYDNUSA-N 0 3 332.488 3.104 20 10 EGCDHN Cc1cccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1[O-] ZINC000179656926 455065150 /nfs/dbraw/zinc/06/51/50/455065150.db2.gz YNVHJEBJRIBKTE-QGZVFWFLSA-N 0 3 340.471 3.398 20 10 EGCDHN Cc1cccc(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1[O-] ZINC000179656926 455065154 /nfs/dbraw/zinc/06/51/54/455065154.db2.gz YNVHJEBJRIBKTE-QGZVFWFLSA-N 0 3 340.471 3.398 20 10 EGCDHN Cc1cccc(C[N@@H+](C)C2CCN(CCc3ccccn3)CC2)c1[O-] ZINC000179900034 455095791 /nfs/dbraw/zinc/09/57/91/455095791.db2.gz IETULSJDCSDJNH-UHFFFAOYSA-N 0 3 339.483 3.235 20 10 EGCDHN Cc1cccc(C[N@H+](C)C2CCN(CCc3ccccn3)CC2)c1[O-] ZINC000179900034 455095797 /nfs/dbraw/zinc/09/57/97/455095797.db2.gz IETULSJDCSDJNH-UHFFFAOYSA-N 0 3 339.483 3.235 20 10 EGCDHN CC1CCN(C(=O)C2CC[NH+](Cc3cc(F)ccc3[O-])CC2)CC1 ZINC000179947951 455104092 /nfs/dbraw/zinc/10/40/92/455104092.db2.gz PDTIETCPBDHRHP-UHFFFAOYSA-N 0 3 334.435 3.002 20 10 EGCDHN CN1CCC(NC(=O)N(Cc2ccccc2O)C2CCCCC2)CC1 ZINC000173388569 455277525 /nfs/dbraw/zinc/27/75/25/455277525.db2.gz SCFAWUBNKRBOED-UHFFFAOYSA-N 0 3 345.487 3.331 20 10 EGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C2CCN(Cc3ccccn3)CC2)c1 ZINC000185053681 455492639 /nfs/dbraw/zinc/49/26/39/455492639.db2.gz QQTDPFHCYZXWPX-INIZCTEOSA-N 0 3 325.456 3.411 20 10 EGCDHN CCC(CC)C(=O)N1CCC([NH2+][C@H](C)c2cc(OC)ccc2[O-])CC1 ZINC000185077525 455496662 /nfs/dbraw/zinc/49/66/62/455496662.db2.gz MICQRWHDURDKSV-CQSZACIVSA-N 0 3 348.487 3.479 20 10 EGCDHN CNC(=O)c1cccc(CN[C@H](C)c2cc3c(cc2O)CCCC3)c1 ZINC000185150406 455510693 /nfs/dbraw/zinc/51/06/93/455510693.db2.gz IMPYAIIOLYEGRS-CQSZACIVSA-N 0 3 338.451 3.481 20 10 EGCDHN C[C@@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-])CN1CCN(C)CC1 ZINC000185344055 455544743 /nfs/dbraw/zinc/54/47/43/455544743.db2.gz CIUFRWRCVBWNJS-IRXDYDNUSA-N 0 3 341.499 3.080 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)c1 ZINC000185464287 455561389 /nfs/dbraw/zinc/56/13/89/455561389.db2.gz OESZLNBSLCVYIV-DZGCQCFKSA-N 0 3 340.423 3.136 20 10 EGCDHN C[C@H]([NH2+]CCNc1nccc(C(F)(F)F)n1)c1cc(F)ccc1[O-] ZINC000185498958 455568921 /nfs/dbraw/zinc/56/89/21/455568921.db2.gz DYRPFZZZDRSJTB-VIFPVBQESA-N 0 3 344.312 3.103 20 10 EGCDHN CCOc1cccc(C[NH+]2CCC(O)(c3ccccc3)CC2)c1[O-] ZINC000185639493 455587834 /nfs/dbraw/zinc/58/78/34/455587834.db2.gz WBKFTGQRBWQCRJ-UHFFFAOYSA-N 0 3 327.424 3.275 20 10 EGCDHN CCOc1cccc(CN2CCC(O)(c3ccccc3)CC2)c1O ZINC000185639493 455587836 /nfs/dbraw/zinc/58/78/36/455587836.db2.gz WBKFTGQRBWQCRJ-UHFFFAOYSA-N 0 3 327.424 3.275 20 10 EGCDHN Cc1cc(N2CCC([NH2+][C@H](C)c3cc(F)ccc3[O-])CC2)nc(C)n1 ZINC000185655309 455590379 /nfs/dbraw/zinc/59/03/79/455590379.db2.gz JIRUIFTWZKMUHU-CYBMUJFWSA-N 0 3 344.434 3.258 20 10 EGCDHN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)c1[O-] ZINC000185726125 455607521 /nfs/dbraw/zinc/60/75/21/455607521.db2.gz VUDUXUKYRXDUAR-ZFWWWQNUSA-N 0 3 348.462 3.477 20 10 EGCDHN C[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)c1cc(F)ccc1[O-] ZINC000186022926 455678094 /nfs/dbraw/zinc/67/80/94/455678094.db2.gz NYLNGVBFMQXAMY-XHDPSFHLSA-N 0 3 332.350 3.127 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCc2nc3c(cccc3F)n2C)c1 ZINC000186039139 455681552 /nfs/dbraw/zinc/68/15/52/455681552.db2.gz GSRYJIQBICAPJV-GFCCVEGCSA-N 0 3 343.402 3.320 20 10 EGCDHN C[C@@H]([NH2+]CCc1nc2c(cccc2F)n1C)c1cc(F)ccc1[O-] ZINC000186039410 455681988 /nfs/dbraw/zinc/68/19/88/455681988.db2.gz QCNLDMZXUSVHQN-LLVKDONJSA-N 0 3 331.366 3.450 20 10 EGCDHN COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)c2ccc(C)cc2[O-])C1=O ZINC000186102263 455694308 /nfs/dbraw/zinc/69/43/08/455694308.db2.gz VSKDFPKXQKFRRK-HOCLYGCPSA-N 0 3 340.423 3.165 20 10 EGCDHN COc1cc(NCC[NH2+][C@H](C)c2cc(C)ccc2[O-])cc(OC)c1 ZINC000186154798 455704744 /nfs/dbraw/zinc/70/47/44/455704744.db2.gz GNSIETRRNBJLGF-CQSZACIVSA-N 0 3 330.428 3.481 20 10 EGCDHN Cc1ncsc1/C=C/C(=O)N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000186172295 455708955 /nfs/dbraw/zinc/70/89/55/455708955.db2.gz OSXJEYIZHHFOQK-FDMDGMSGSA-N 0 3 339.464 3.476 20 10 EGCDHN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(OC)ccc2[O-])[C@@H]1Oc1ccccc1 ZINC000186275873 455731371 /nfs/dbraw/zinc/73/13/71/455731371.db2.gz YXAAUUOPCRTQFR-SXLOBPIMSA-N 0 3 343.423 3.115 20 10 EGCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H](O)COc2ccc(F)cc2)c([O-])c1 ZINC000293787620 455797405 /nfs/dbraw/zinc/79/74/05/455797405.db2.gz QLBBSERQZHGUPB-HOCLYGCPSA-N 0 3 333.403 3.239 20 10 EGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]Cc2cccc(N3CCOCC3)c2)c1 ZINC000293854140 455798858 /nfs/dbraw/zinc/79/88/58/455798858.db2.gz YOHBORMDAKUJBD-MRXNPFEDSA-N 0 3 326.440 3.388 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccnn3C)C2)c([O-])c1C ZINC000278441220 455836063 /nfs/dbraw/zinc/83/60/63/455836063.db2.gz KIZBWZTTYQBYAG-HZPDHXFCSA-N 0 3 328.460 3.062 20 10 EGCDHN CCOCc1cc(CNC[C@@H](O)Cc2cccc(F)c2)ccc1OC ZINC000295163809 455840826 /nfs/dbraw/zinc/84/08/26/455840826.db2.gz SORCNBMHQCACAZ-IBGZPJMESA-N 0 3 347.430 3.064 20 10 EGCDHN CC[C@H]([NH2+][C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)c1ccccc1[O-] ZINC000295171036 455842323 /nfs/dbraw/zinc/84/23/23/455842323.db2.gz UGXMDJGIMUPDGV-QSJFSLAZSA-N 0 3 332.444 3.298 20 10 EGCDHN COCCCOc1ccc(CNCc2ccc3c(c2)CCO3)cc1 ZINC000285426466 455844265 /nfs/dbraw/zinc/84/42/65/455844265.db2.gz DXNAGIHCXDUDSJ-UHFFFAOYSA-N 0 3 327.424 3.327 20 10 EGCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000278695958 455844602 /nfs/dbraw/zinc/84/46/02/455844602.db2.gz NHGJMVLAHQCQHX-UHFFFAOYSA-N 0 3 329.415 3.349 20 10 EGCDHN CCC[C@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)[C@H](O)c1ccccc1 ZINC000279661894 455870655 /nfs/dbraw/zinc/87/06/55/455870655.db2.gz MAAQWJDTUINIAQ-HNAYVOBHSA-N 0 3 329.396 3.113 20 10 EGCDHN CC[C@@H]([NH2+]C[C@@H](C(C)C)N1CCN(C)CC1)c1ccc(C)cc1[O-] ZINC000279925981 455877734 /nfs/dbraw/zinc/87/77/34/455877734.db2.gz AKBRBWJVNIGBGE-MOPGFXCFSA-N 0 3 333.520 3.013 20 10 EGCDHN CC(C)(O)c1ccc(CNCc2ccc(N3CCOCC3)cc2)cc1 ZINC000187500657 455917322 /nfs/dbraw/zinc/91/73/22/455917322.db2.gz XOUTUEYRKNSEQI-UHFFFAOYSA-N 0 3 340.467 3.040 20 10 EGCDHN CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(OC)c2[O-])[C@@H]1Oc1ccccc1 ZINC000187638327 455932515 /nfs/dbraw/zinc/93/25/15/455932515.db2.gz SLCKYBXWOYZTLI-KPFFTGBYSA-N 0 3 343.423 3.115 20 10 EGCDHN C[C@@H](CC[S@@](C)=O)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000280302637 455941761 /nfs/dbraw/zinc/94/17/61/455941761.db2.gz OHGDFQZMGYMMGO-KPWVOAKYSA-N 0 3 336.423 3.018 20 10 EGCDHN C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(CO)c1 ZINC000270420663 455952141 /nfs/dbraw/zinc/95/21/41/455952141.db2.gz FGBITDXDZCTYOV-OAHLLOKOSA-N 0 3 344.430 3.005 20 10 EGCDHN CC[C@@H](c1ccc(C)cc1[O-])[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000296648800 456000731 /nfs/dbraw/zinc/00/07/31/456000731.db2.gz YRFLYOOAZVKUIH-JZXOWHBKSA-N 0 3 338.451 3.433 20 10 EGCDHN CC[C@@H](c1ccc(C)cc1[O-])[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000296648800 456000738 /nfs/dbraw/zinc/00/07/38/456000738.db2.gz YRFLYOOAZVKUIH-JZXOWHBKSA-N 0 3 338.451 3.433 20 10 EGCDHN Cn1nncc1CNCc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000288377681 456093971 /nfs/dbraw/zinc/09/39/71/456093971.db2.gz FPRPDZYTGPNYCB-UHFFFAOYSA-N 0 3 330.476 3.406 20 10 EGCDHN CCN(CC)[C@H](CNC(=O)Cc1ccc(N)cc1)c1ccsc1 ZINC000236878371 456196125 /nfs/dbraw/zinc/19/61/25/456196125.db2.gz UGHQUBUOHCKNAR-QGZVFWFLSA-N 0 3 331.485 3.072 20 10 EGCDHN CCOc1cccc(C[NH2+]C[C@H](c2ccco2)N2CCCC2)c1[O-] ZINC000236900247 456199950 /nfs/dbraw/zinc/19/99/50/456199950.db2.gz QCKCIDUYQQCKEX-MRXNPFEDSA-N 0 3 330.428 3.311 20 10 EGCDHN C[C@@H]([NH2+][C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)c1cc(F)ccc1[O-] ZINC000297433233 456220355 /nfs/dbraw/zinc/22/03/55/456220355.db2.gz VMTAFTBHEIWECD-ADDUCUOXSA-N 0 3 336.407 3.047 20 10 EGCDHN Cc1ccc(CN2CC[C@H]([NH2+][C@@H](C)c3cc(F)ccc3[O-])C2=O)cc1 ZINC000189085333 456221423 /nfs/dbraw/zinc/22/14/23/456221423.db2.gz CFXCXVZTUOLNKB-KSSFIOAISA-N 0 3 342.414 3.291 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](O)COc2ccc(F)cc2)c([O-])c1C ZINC000273432972 456230735 /nfs/dbraw/zinc/23/07/35/456230735.db2.gz WIRALZKWKVPAAV-HOCLYGCPSA-N 0 3 333.403 3.239 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)c([O-])c1C ZINC000273447856 456231545 /nfs/dbraw/zinc/23/15/45/456231545.db2.gz FNQMBDMBJPZNPJ-KVSKMBFKSA-N 0 3 329.440 3.144 20 10 EGCDHN [O-]c1cc2c(cc1C[NH2+][C@@H]1CCO[C@@H](c3ccc(F)cc3)C1)OCO2 ZINC000273481054 456232833 /nfs/dbraw/zinc/23/28/33/456232833.db2.gz LGJJPHMWPWZWIH-NVXWUHKLSA-N 0 3 345.370 3.270 20 10 EGCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC1(N(C)C)CCC1 ZINC000275713662 456293348 /nfs/dbraw/zinc/29/33/48/456293348.db2.gz ZRCXDVZLWAROPZ-UHFFFAOYSA-N 0 3 346.519 3.157 20 10 EGCDHN Cc1cnn([C@H]2CC[N@H+](Cc3cc(Br)ccc3[O-])C2)c1 ZINC000290868958 456453450 /nfs/dbraw/zinc/45/34/50/456453450.db2.gz KCOCSXXKABSHKE-AWEZNQCLSA-N 0 3 336.233 3.107 20 10 EGCDHN Cc1cnn([C@H]2CC[N@@H+](Cc3cc(Br)ccc3[O-])C2)c1 ZINC000290868958 456453457 /nfs/dbraw/zinc/45/34/57/456453457.db2.gz KCOCSXXKABSHKE-AWEZNQCLSA-N 0 3 336.233 3.107 20 10 EGCDHN CCOc1ccc(O)c(CN[C@@]2(CO)CCCc3ccccc32)c1 ZINC000282389822 456497724 /nfs/dbraw/zinc/49/77/24/456497724.db2.gz OWORWQHUASZDMQ-HXUWFJFHSA-N 0 3 327.424 3.105 20 10 EGCDHN CN(C)c1ccc(CN[C@H]2CCN(C(=O)Nc3ccccc3)C2)cc1 ZINC000283095870 456709635 /nfs/dbraw/zinc/70/96/35/456709635.db2.gz WULWGPCWEYGTGU-SFHVURJKSA-N 0 3 338.455 3.149 20 10 EGCDHN Cc1c2ccccc2n(C)c1CNC(=O)NCCN1CCCC[C@@H]1C ZINC000349381716 456958787 /nfs/dbraw/zinc/95/87/87/456958787.db2.gz QRZTWHYJXPCKAN-HNNXBMFYSA-N 0 3 342.487 3.160 20 10 EGCDHN Cc1n[nH]c(C)c1[C@H]1CCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000367721967 457976116 /nfs/dbraw/zinc/97/61/16/457976116.db2.gz ASQJMHPQGMBNKU-LJQANCHMSA-N 0 3 340.471 3.200 20 10 EGCDHN CCN1CCC[C@@H]1CN(C)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472231894 458776376 /nfs/dbraw/zinc/77/63/76/458776376.db2.gz HWTQGSYPSWBSJF-MRXNPFEDSA-N 0 3 342.487 3.112 20 10 EGCDHN Cc1ccc(O)c(CN[C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)c1 ZINC000527796134 459738937 /nfs/dbraw/zinc/73/89/37/459738937.db2.gz IZEYWSGLQNGTJY-OAHLLOKOSA-N 0 3 348.805 3.388 20 10 EGCDHN CCN(C[C@@H]1CC[N@H+](Cc2cc(C)ccc2[O-])C1)CC(F)(F)F ZINC000093771159 546686445 /nfs/dbraw/zinc/68/64/45/546686445.db2.gz KNWABWAZAGKMNC-AWEZNQCLSA-N 0 3 330.394 3.407 20 10 EGCDHN CCN(C[C@@H]1CC[N@@H+](Cc2cc(C)ccc2[O-])C1)CC(F)(F)F ZINC000093771159 546686450 /nfs/dbraw/zinc/68/64/50/546686450.db2.gz KNWABWAZAGKMNC-AWEZNQCLSA-N 0 3 330.394 3.407 20 10 EGCDHN CCC(CC)N(CC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CC1 ZINC000729542709 574870462 /nfs/dbraw/zinc/87/04/62/574870462.db2.gz NSZUSYPUPXAUSQ-UHFFFAOYSA-N 0 3 331.504 3.364 20 10 EGCDHN CCCN(Cc1ccccc1O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000731281928 575063836 /nfs/dbraw/zinc/06/38/36/575063836.db2.gz FEMWGRNTHDGIMZ-INIZCTEOSA-N 0 3 333.476 3.188 20 10 EGCDHN O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cc([O-])cs1 ZINC000731865414 575213488 /nfs/dbraw/zinc/21/34/88/575213488.db2.gz JKIVHRGSJXNZKE-UHFFFAOYSA-N 0 3 330.453 3.370 20 10 EGCDHN O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1cc([O-])cs1 ZINC000732277921 575253117 /nfs/dbraw/zinc/25/31/17/575253117.db2.gz SDTRBNFIXIYXHI-UHFFFAOYSA-N 0 3 330.453 3.096 20 10 EGCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)cc1C(C)C ZINC000743376836 576807409 /nfs/dbraw/zinc/80/74/09/576807409.db2.gz VXXYWYYYCFBMCF-GOSISDBHSA-N 0 3 332.488 3.121 20 10 EGCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]2CN2CCOCC2)cc1C(C)C ZINC000743376836 576807410 /nfs/dbraw/zinc/80/74/10/576807410.db2.gz VXXYWYYYCFBMCF-GOSISDBHSA-N 0 3 332.488 3.121 20 10 EGCDHN C[N@@H+]1CCC[C@H]2CN(Cc3ccc(Br)cc3[O-])CC[C@H]21 ZINC000691681813 1298136487 /nfs/dbraw/zinc/13/64/87/1298136487.db2.gz YNKLEKPQSLQXPI-SWLSCSKDSA-N 0 3 339.277 3.071 20 10 EGCDHN C[N@H+]1CCC[C@H]2CN(Cc3ccc(Br)cc3[O-])CC[C@H]21 ZINC000691681813 1298136491 /nfs/dbraw/zinc/13/64/91/1298136491.db2.gz YNKLEKPQSLQXPI-SWLSCSKDSA-N 0 3 339.277 3.071 20 10 EGCDHN CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000827751874 1292366031 /nfs/dbraw/zinc/36/60/31/1292366031.db2.gz XRGTWFMULLRGAL-PBHICJAKSA-N 0 3 341.835 3.266 20 10 EGCDHN Cc1cc(Br)c([O-])c(CN2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000843119312 1321473474 /nfs/dbraw/zinc/47/34/74/1321473474.db2.gz XUJQMERAZQMWSU-MRXNPFEDSA-N 0 3 339.277 3.039 20 10 EGCDHN C[C@H](N[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000090181690 1292790327 /nfs/dbraw/zinc/79/03/27/1292790327.db2.gz ZPMYBDOPRMTARL-GOEBONIOSA-N 0 3 345.462 3.230 20 10 EGCDHN O=C1[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCCN1c1ccccc1F ZINC000834693191 1293134053 /nfs/dbraw/zinc/13/40/53/1293134053.db2.gz LWFIOKMONQVBJS-JKSUJKDBSA-N 0 3 340.398 3.304 20 10 EGCDHN COc1cc(Br)cc(C[N@H+](C)[C@@H]2CCSC2)c1[O-] ZINC000130502473 1293659352 /nfs/dbraw/zinc/65/93/52/1293659352.db2.gz XIQHKTFDBJLTKO-LLVKDONJSA-N 0 3 332.263 3.101 20 10 EGCDHN COc1cc(Br)cc(C[N@@H+](C)[C@@H]2CCSC2)c1[O-] ZINC000130502473 1293659358 /nfs/dbraw/zinc/65/93/58/1293659358.db2.gz XIQHKTFDBJLTKO-LLVKDONJSA-N 0 3 332.263 3.101 20 10 EGCDHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)/C=C/c2ccc(Cl)nc2)C1 ZINC000132813751 1293729035 /nfs/dbraw/zinc/72/90/35/1293729035.db2.gz BJISIHASYODDMO-XAVKZTDYSA-N 0 3 341.842 3.268 20 10 EGCDHN COc1ccc(N2CCN(CCCCC(=O)OC(C)(C)C)CC2)cc1 ZINC000181513158 1294975671 /nfs/dbraw/zinc/97/56/71/1294975671.db2.gz UJHVUHDDZOWJIF-UHFFFAOYSA-N 0 3 348.487 3.329 20 10 EGCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N[C@@H](C)CCCC(C)C)c1 ZINC000182382484 1295042332 /nfs/dbraw/zinc/04/23/32/1295042332.db2.gz MUTUAAPRZKZRAN-LSDHHAIUSA-N 0 3 336.476 3.382 20 10 EGCDHN COC(=O)c1cc(CN[C@@H](C)c2cc(OC)ccc2O)c(C)s1 ZINC000182467135 1295050567 /nfs/dbraw/zinc/05/05/67/1295050567.db2.gz WCPFTTHCGLPRJH-JTQLQIEISA-N 0 3 335.425 3.408 20 10 EGCDHN CCN(CC[NH2+][C@H](C)c1cc(F)ccc1[O-])C(=O)OC(C)(C)C ZINC000185315470 1295254860 /nfs/dbraw/zinc/25/48/60/1295254860.db2.gz OUBPZSCFERIBMT-GFCCVEGCSA-N 0 3 326.412 3.439 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]CCCNC(=O)c2cccc(F)c2)c([O-])c1 ZINC000186015992 1295298993 /nfs/dbraw/zinc/29/89/93/1295298993.db2.gz KJMWCRAZGHHQAB-CQSZACIVSA-N 0 3 330.403 3.310 20 10 EGCDHN CCOc1cccc(CN2CCN(c3cccc(C)c3)CC2)c1O ZINC000325462401 1297225363 /nfs/dbraw/zinc/22/53/63/1297225363.db2.gz RLKVHRSBRCYWCU-UHFFFAOYSA-N 0 3 326.440 3.422 20 10 EGCDHN CCCOc1ccc(CN[C@@H](CCSC)C(=O)N(C)C)cc1C ZINC000873127152 1297283649 /nfs/dbraw/zinc/28/36/49/1297283649.db2.gz NKBJIGKZCLGMSH-INIZCTEOSA-N 0 3 338.517 3.083 20 10 EGCDHN CC[C@H]([NH2+]CCCn1cc(Br)cn1)c1ccccc1[O-] ZINC000380259343 1297544305 /nfs/dbraw/zinc/54/43/05/1297544305.db2.gz PIZACDKZXCMMLA-AWEZNQCLSA-N 0 3 338.249 3.482 20 10 EGCDHN CO[C@](C)(C[NH2+]Cc1cc(F)ccc1[O-])COCc1ccccc1 ZINC000702764005 1298196971 /nfs/dbraw/zinc/19/69/71/1298196971.db2.gz ONXSKHAESHFZOE-LJQANCHMSA-N 0 3 333.403 3.243 20 10 EGCDHN CCC1(C)CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000725806134 1298367706 /nfs/dbraw/zinc/36/77/06/1298367706.db2.gz UWQFOJKMEORTIF-UHFFFAOYSA-N 0 3 331.504 3.223 20 10 EGCDHN [O-]c1ccccc1C[NH2+]Cc1cc2ccccc2nc1N1CCOCC1 ZINC000725850920 1298377366 /nfs/dbraw/zinc/37/73/66/1298377366.db2.gz DSYMFGDFRPHKMN-UHFFFAOYSA-N 0 3 349.434 3.067 20 10 EGCDHN CC[C@@H](C)N[C@@H](CNC(=O)NCc1cc(C)ccc1O)c1ccco1 ZINC000875573118 1298393951 /nfs/dbraw/zinc/39/39/51/1298393951.db2.gz ANMCFTXYWSHQBP-ZBFHGGJFSA-N 0 3 345.443 3.222 20 10 EGCDHN CCc1nc(CN2CCN(Cc3c(C)cccc3O)CC2)cs1 ZINC000876639801 1298888002 /nfs/dbraw/zinc/88/80/02/1298888002.db2.gz ULMJIVSNBZYARS-UHFFFAOYSA-N 0 3 331.485 3.037 20 10 EGCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000877168261 1299191165 /nfs/dbraw/zinc/19/11/65/1299191165.db2.gz QTPDYNKFVGLPJF-GJZGRUSLSA-N 0 3 334.460 3.436 20 10 EGCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000877168261 1299191169 /nfs/dbraw/zinc/19/11/69/1299191169.db2.gz QTPDYNKFVGLPJF-GJZGRUSLSA-N 0 3 334.460 3.436 20 10 EGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H]([C@@H]4CCOC4)C3)c2c1 ZINC000749799232 1299274593 /nfs/dbraw/zinc/27/45/93/1299274593.db2.gz VDPNRWFQAHJGHQ-JKSUJKDBSA-N 0 3 327.424 3.412 20 10 EGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H]([C@@H]4CCOC4)C3)c2c1 ZINC000749799232 1299274606 /nfs/dbraw/zinc/27/46/06/1299274606.db2.gz VDPNRWFQAHJGHQ-JKSUJKDBSA-N 0 3 327.424 3.412 20 10 EGCDHN COC(=O)CC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000877818331 1299578355 /nfs/dbraw/zinc/57/83/55/1299578355.db2.gz FYUPQNLAAHZXNY-GFCCVEGCSA-N 0 3 341.835 3.219 20 10 EGCDHN COC(=O)CC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000877818331 1299578366 /nfs/dbraw/zinc/57/83/66/1299578366.db2.gz FYUPQNLAAHZXNY-GFCCVEGCSA-N 0 3 341.835 3.219 20 10 EGCDHN COC(=O)CC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000877818332 1299578776 /nfs/dbraw/zinc/57/87/76/1299578776.db2.gz FYUPQNLAAHZXNY-LBPRGKRZSA-N 0 3 341.835 3.219 20 10 EGCDHN COC(=O)CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000877818332 1299578783 /nfs/dbraw/zinc/57/87/83/1299578783.db2.gz FYUPQNLAAHZXNY-LBPRGKRZSA-N 0 3 341.835 3.219 20 10 EGCDHN CC[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@@H]1O ZINC000753550133 1299970759 /nfs/dbraw/zinc/97/07/59/1299970759.db2.gz URQZWVAYHRRYAK-JXFKEZNVSA-N 0 3 327.424 3.174 20 10 EGCDHN CC[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@@H]1O ZINC000753550133 1299970768 /nfs/dbraw/zinc/97/07/68/1299970768.db2.gz URQZWVAYHRRYAK-JXFKEZNVSA-N 0 3 327.424 3.174 20 10 EGCDHN CC[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@H]1O ZINC000753550142 1299972151 /nfs/dbraw/zinc/97/21/51/1299972151.db2.gz URQZWVAYHRRYAK-OXQOHEQNSA-N 0 3 327.424 3.174 20 10 EGCDHN CC[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@H]1O ZINC000753550142 1299972159 /nfs/dbraw/zinc/97/21/59/1299972159.db2.gz URQZWVAYHRRYAK-OXQOHEQNSA-N 0 3 327.424 3.174 20 10 EGCDHN C[C@H]1C[C@H]([NH2+]Cc2ccc(NC(N)=O)cc2)c2c1c(F)ccc2[O-] ZINC000756393726 1300483325 /nfs/dbraw/zinc/48/33/25/1300483325.db2.gz UGRRJOVDSTYEOC-HZMBPMFUSA-N 0 3 329.375 3.360 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccccc2)c2c1c(F)ccc2[O-] ZINC000756455566 1300496025 /nfs/dbraw/zinc/49/60/25/1300496025.db2.gz KINBHMGRJQXRRJ-DOMZBBRYSA-N 0 3 349.427 3.143 20 10 EGCDHN Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000756458935 1300497694 /nfs/dbraw/zinc/49/76/94/1300497694.db2.gz LOCODJKLTLMXSY-ZBFHGGJFSA-N 0 3 333.403 3.239 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+]CC2(N3CCCC3)CCOCC2)c2c1c(F)ccc2[O-] ZINC000756545076 1300518800 /nfs/dbraw/zinc/51/88/00/1300518800.db2.gz XWHQYZQNQYXITQ-ZBFHGGJFSA-N 0 3 348.462 3.314 20 10 EGCDHN COc1cccc([C@H](O)C[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)c1 ZINC000756564270 1300522543 /nfs/dbraw/zinc/52/25/43/1300522543.db2.gz RSGRLCZZJCGILA-UXEPBGEESA-N 0 3 331.387 3.411 20 10 EGCDHN C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)c1ccc(Br)cc1[O-] ZINC000756616481 1300532103 /nfs/dbraw/zinc/53/21/03/1300532103.db2.gz ZOCXKOGUYJWBQZ-GMXVVIOVSA-N 0 3 327.266 3.288 20 10 EGCDHN COC[C@@](C)(CC(=O)OC)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000757919577 1300758089 /nfs/dbraw/zinc/75/80/89/1300758089.db2.gz LIISEGRLLDLROF-HXUWFJFHSA-N 0 3 343.423 3.117 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](CO)CC(F)F)c1[O-] ZINC000760035726 1301212929 /nfs/dbraw/zinc/21/29/29/1301212929.db2.gz CWILWHLOSKCJPW-SCZZXKLOSA-N 0 3 338.192 3.130 20 10 EGCDHN CCC[C@@H](N)c1cn(Cc2ccc(N3CCCCC3)c(C)c2)nn1 ZINC000881379316 1301548372 /nfs/dbraw/zinc/54/83/72/1301548372.db2.gz OJQOLLYJUFEVQM-QGZVFWFLSA-N 0 3 327.476 3.425 20 10 EGCDHN Cc1noc(C[C@@H]([NH2+]Cc2cc(F)ccc2[O-])c2ccccc2)n1 ZINC000763545919 1301922640 /nfs/dbraw/zinc/92/26/40/1301922640.db2.gz GGVBTRHAIMXZIE-MRXNPFEDSA-N 0 3 327.359 3.296 20 10 EGCDHN C[C@H]([NH2+][C@@H](CCO)C1CCOCC1)c1cc2c(cc1[O-])CCCC2 ZINC000763559568 1301923694 /nfs/dbraw/zinc/92/36/94/1301923694.db2.gz UGAZMEUJPSLABE-LIRRHRJNSA-N 0 3 333.472 3.099 20 10 EGCDHN C[C@@H](NC(=O)NC[C@@H]1CCCCN1C1CC1)c1ccc(N(C)C)cc1 ZINC000764806467 1302138995 /nfs/dbraw/zinc/13/89/95/1302138995.db2.gz QHVWTLBKKZJSQM-BEFAXECRSA-N 0 3 344.503 3.130 20 10 EGCDHN COCCOc1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000764990025 1302181809 /nfs/dbraw/zinc/18/18/09/1302181809.db2.gz SWIHLVPIYOLWAE-HNNXBMFYSA-N 0 3 329.444 3.024 20 10 EGCDHN COc1ccc(N2CCC(NCc3cn4ccsc4n3)CC2)cc1 ZINC000765349530 1302250863 /nfs/dbraw/zinc/25/08/63/1302250863.db2.gz NFWZJXSNLAUQQN-UHFFFAOYSA-N 0 3 342.468 3.163 20 10 EGCDHN CN1CCN(c2ccc(CNCc3ccc(F)c(F)c3F)cc2)CC1 ZINC000883282807 1302359444 /nfs/dbraw/zinc/35/94/44/1302359444.db2.gz GHACKOPQXLRZLR-UHFFFAOYSA-N 0 3 349.400 3.146 20 10 EGCDHN [O-]c1cc2c(cc1C[NH+]1CCC(Cc3ccccc3)CC1)[C@H](O)CO2 ZINC000768438029 1302901785 /nfs/dbraw/zinc/90/17/85/1302901785.db2.gz OKPOMIZLKUHORN-HXUWFJFHSA-N 0 3 339.435 3.273 20 10 EGCDHN Cc1ccccc1[C@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768444312 1302906628 /nfs/dbraw/zinc/90/66/28/1302906628.db2.gz XGXHZWMBWKBDHU-MJGOQNOKSA-N 0 3 325.408 3.464 20 10 EGCDHN Cc1ccccc1[C@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768444312 1302906632 /nfs/dbraw/zinc/90/66/32/1302906632.db2.gz XGXHZWMBWKBDHU-MJGOQNOKSA-N 0 3 325.408 3.464 20 10 EGCDHN CCCCN(C)C(=O)C1CC[NH+](Cc2ccc(OCC)cc2[O-])CC1 ZINC000768919813 1303011685 /nfs/dbraw/zinc/01/16/85/1303011685.db2.gz VZSBGKCETQXCNM-UHFFFAOYSA-N 0 3 348.487 3.261 20 10 EGCDHN CCOc1ccc(CN2C[C@@H](CC)N(C(C)=O)C[C@@H]2CC)c(O)c1 ZINC000769494987 1303126277 /nfs/dbraw/zinc/12/62/77/1303126277.db2.gz DNZUPAZVPGJDME-DLBZAZTESA-N 0 3 334.460 3.012 20 10 EGCDHN CCOc1ccc(C[N@@H+]2C[C@@H](CC)N(C(C)=O)C[C@@H]2CC)c([O-])c1 ZINC000769494987 1303126279 /nfs/dbraw/zinc/12/62/79/1303126279.db2.gz DNZUPAZVPGJDME-DLBZAZTESA-N 0 3 334.460 3.012 20 10 EGCDHN CCOc1ccc(C[N@H+]2C[C@@H](CC)N(C(C)=O)C[C@@H]2CC)c([O-])c1 ZINC000769494987 1303126281 /nfs/dbraw/zinc/12/62/81/1303126281.db2.gz DNZUPAZVPGJDME-DLBZAZTESA-N 0 3 334.460 3.012 20 10 EGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH+]1CCC(OCCO)CC1 ZINC000769537644 1303136887 /nfs/dbraw/zinc/13/68/87/1303136887.db2.gz NQZLZRQNUZMEHQ-UHFFFAOYSA-N 0 3 327.424 3.033 20 10 EGCDHN CCOc1ccc(C[NH2+]C2CCC(O)(c3cccnc3)CC2)c([O-])c1 ZINC000769932099 1303195255 /nfs/dbraw/zinc/19/52/55/1303195255.db2.gz MNZZSGZPQOMTCA-UHFFFAOYSA-N 0 3 342.439 3.106 20 10 EGCDHN CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(OCC)cc2[O-])C1 ZINC000770383580 1303258437 /nfs/dbraw/zinc/25/84/37/1303258437.db2.gz PQZSXBVCERAPSP-HNNXBMFYSA-N 0 3 335.444 3.346 20 10 EGCDHN CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc(OCC)cc2[O-])C1 ZINC000770383580 1303258439 /nfs/dbraw/zinc/25/84/39/1303258439.db2.gz PQZSXBVCERAPSP-HNNXBMFYSA-N 0 3 335.444 3.346 20 10 EGCDHN C[C@H](NCc1ccncc1OCCC[NH+](C)C)c1c([O-])cccc1F ZINC000886610665 1303522432 /nfs/dbraw/zinc/52/24/32/1303522432.db2.gz GXXYSTXENMBYHE-AWEZNQCLSA-N 0 3 347.434 3.108 20 10 EGCDHN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)NCCc1cccs1 ZINC000774486747 1303816778 /nfs/dbraw/zinc/81/67/78/1303816778.db2.gz YJBMOJODTKJJKS-LSDHHAIUSA-N 0 3 345.512 3.212 20 10 EGCDHN COc1ccc(O)c([C@@H](C)N[C@H](C)C(=O)Nc2ccccc2OC)c1 ZINC000775376021 1303948729 /nfs/dbraw/zinc/94/87/29/1303948729.db2.gz RCWGWXYXPKWNEV-CHWSQXEVSA-N 0 3 344.411 3.087 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@H](CCO)C2)c1[O-] ZINC000775681220 1304014215 /nfs/dbraw/zinc/01/42/15/1304014215.db2.gz NPZOISDCJVDGMD-GFCCVEGCSA-N 0 3 328.250 3.058 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@H](CCO)C2)c1[O-] ZINC000775681220 1304014220 /nfs/dbraw/zinc/01/42/20/1304014220.db2.gz NPZOISDCJVDGMD-GFCCVEGCSA-N 0 3 328.250 3.058 20 10 EGCDHN Cc1cccc(CNC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775833006 1304046689 /nfs/dbraw/zinc/04/66/89/1304046689.db2.gz FDYUDIXGPLDMCM-MRXNPFEDSA-N 0 3 325.456 3.028 20 10 EGCDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])[C@@H]1OC ZINC000775978935 1304073957 /nfs/dbraw/zinc/07/39/57/1304073957.db2.gz PINRNNSBCVKNJI-RLLQIKCJSA-N 0 3 327.424 3.341 20 10 EGCDHN CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000776174370 1304106984 /nfs/dbraw/zinc/10/69/84/1304106984.db2.gz MWMSBKDDTKOJHA-IAQYHMDHSA-N 0 3 330.266 3.350 20 10 EGCDHN CO[C@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(C)c2[O-])C1(C)C ZINC000776229713 1304117649 /nfs/dbraw/zinc/11/76/49/1304117649.db2.gz ATWKERXCCDXZNY-OLZOCXBDSA-N 0 3 328.250 3.366 20 10 EGCDHN CN(C[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1[O-])C(=O)OC(C)(C)C ZINC000779034110 1304521140 /nfs/dbraw/zinc/52/11/40/1304521140.db2.gz VRBDFAJJJVTXIP-OAHLLOKOSA-N 0 3 338.423 3.363 20 10 EGCDHN CN(C[C@H]1CCC[N@H+]1Cc1cc(F)ccc1[O-])C(=O)OC(C)(C)C ZINC000779034110 1304521144 /nfs/dbraw/zinc/52/11/44/1304521144.db2.gz VRBDFAJJJVTXIP-OAHLLOKOSA-N 0 3 338.423 3.363 20 10 EGCDHN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000779031899 1304521173 /nfs/dbraw/zinc/52/11/73/1304521173.db2.gz BGXZFSQACDAKJA-SWLSCSKDSA-N 0 3 338.423 3.409 20 10 EGCDHN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000779031899 1304521179 /nfs/dbraw/zinc/52/11/79/1304521179.db2.gz BGXZFSQACDAKJA-SWLSCSKDSA-N 0 3 338.423 3.409 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CC[C@H](O)CC2)c1[O-] ZINC000779040581 1304522241 /nfs/dbraw/zinc/52/22/41/1304522241.db2.gz YVTCCGZQRBMHGH-RAIGVLPGSA-N 0 3 328.250 3.417 20 10 EGCDHN CCOc1ccc(C[N@@H+]2CCC[C@H](C(C)(C)C(=O)OC)C2)c([O-])c1 ZINC000779604133 1304586547 /nfs/dbraw/zinc/58/65/47/1304586547.db2.gz HNCUOQNVUWFMQQ-HNNXBMFYSA-N 0 3 335.444 3.202 20 10 EGCDHN CCOc1ccc(C[N@H+]2CCC[C@H](C(C)(C)C(=O)OC)C2)c([O-])c1 ZINC000779604133 1304586551 /nfs/dbraw/zinc/58/65/51/1304586551.db2.gz HNCUOQNVUWFMQQ-HNNXBMFYSA-N 0 3 335.444 3.202 20 10 EGCDHN CCOc1cccc(CN2CCC[C@](OC)(C(F)(F)F)C2)c1O ZINC000783716493 1305131282 /nfs/dbraw/zinc/13/12/82/1305131282.db2.gz ADZINQHJVGENRK-OAHLLOKOSA-N 0 3 333.350 3.334 20 10 EGCDHN O=C1[C@@H](NCc2ccc3c(c2)CCO3)CCCN1C1CCCCC1 ZINC000785549521 1305376068 /nfs/dbraw/zinc/37/60/68/1305376068.db2.gz VJNJUIXWUSMMHH-SFHVURJKSA-N 0 3 328.456 3.035 20 10 EGCDHN COc1ccc(CNCc2ccccc2OC(F)F)c(O)c1OC ZINC000892489987 1305402802 /nfs/dbraw/zinc/40/28/02/1305402802.db2.gz LNWPGFIXJODYTN-UHFFFAOYSA-N 0 3 339.338 3.301 20 10 EGCDHN CCOC(=O)c1ncc(CNCCCSc2nccs2)s1 ZINC000893043875 1305678088 /nfs/dbraw/zinc/67/80/88/1305678088.db2.gz ABQYGOPXQADIOK-UHFFFAOYSA-N 0 3 343.499 3.048 20 10 EGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCC1(O)CCOCC1 ZINC000796467540 1310008206 /nfs/dbraw/zinc/00/82/06/1310008206.db2.gz UXZCYZHLPSGLQN-UHFFFAOYSA-N 0 3 327.424 3.080 20 10 EGCDHN CN(C)c1ccc(CNCc2ccc(C[S@](C)=O)cc2)cc1F ZINC000796527419 1310020477 /nfs/dbraw/zinc/02/04/77/1310020477.db2.gz YIJRADSUNMPQKT-QHCPKHFHSA-N 0 3 334.460 3.060 20 10 EGCDHN COc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000896948401 1310101623 /nfs/dbraw/zinc/10/16/23/1310101623.db2.gz NWQAQWGCVOLWMY-INIZCTEOSA-N 0 3 340.423 3.252 20 10 EGCDHN COc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000896948401 1310101625 /nfs/dbraw/zinc/10/16/25/1310101625.db2.gz NWQAQWGCVOLWMY-INIZCTEOSA-N 0 3 340.423 3.252 20 10 EGCDHN COc1cc(Br)cc(C[NH2+][C@H](C)[C@H](OC)C2CC2)c1[O-] ZINC000825099234 1320309964 /nfs/dbraw/zinc/30/99/64/1320309964.db2.gz VVIDNOIPKUFUTC-PSLIRLAXSA-N 0 3 344.249 3.066 20 10 EGCDHN CC(=O)NCCN(Cc1ccc(C)s1)Cc1cccc(C)c1O ZINC000802653522 1317022763 /nfs/dbraw/zinc/02/27/63/1317022763.db2.gz VUXLWAGJDILZTQ-UHFFFAOYSA-N 0 3 332.469 3.209 20 10 EGCDHN CN(C)c1cc(F)c(CN[C@H](Cn2ccnc2)C(C)(C)C)cc1F ZINC000858104788 1328683922 /nfs/dbraw/zinc/68/39/22/1328683922.db2.gz XPFIFUIXWMPIKP-QGZVFWFLSA-N 0 3 336.430 3.432 20 10 EGCDHN Clc1ccc2c(n1)CC[C@H]2NCc1ccc(N2CCOCC2)cc1 ZINC000806132952 1317463610 /nfs/dbraw/zinc/46/36/10/1317463610.db2.gz DJCDYVJNXYXNMC-QGZVFWFLSA-N 0 3 343.858 3.349 20 10 EGCDHN O=C(c1cc([O-])cs1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000807693977 1317578348 /nfs/dbraw/zinc/57/83/48/1317578348.db2.gz XVAQFYPPXOCLGU-IBGZPJMESA-N 0 3 342.464 3.192 20 10 EGCDHN O=C(c1cc([O-])cs1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000807693977 1317578353 /nfs/dbraw/zinc/57/83/53/1317578353.db2.gz XVAQFYPPXOCLGU-IBGZPJMESA-N 0 3 342.464 3.192 20 10 EGCDHN O=C(C1=CC(=O)CS1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000807693977 1317578359 /nfs/dbraw/zinc/57/83/59/1317578359.db2.gz XVAQFYPPXOCLGU-IBGZPJMESA-N 0 3 342.464 3.192 20 10 EGCDHN CCN(CC)c1ccc(CN[C@@H]2COc3ccccc3[C@@H]2O)cc1F ZINC000808452790 1317680587 /nfs/dbraw/zinc/68/05/87/1317680587.db2.gz QPJRSYIJRPHRCT-XLIONFOSSA-N 0 3 344.430 3.256 20 10 EGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCC(=O)Nc2ccccn2)c1[O-] ZINC000808682292 1317715819 /nfs/dbraw/zinc/71/58/19/1317715819.db2.gz QJYADVSDRHFVMP-GFCCVEGCSA-N 0 3 333.819 3.428 20 10 EGCDHN CCOc1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c([O-])c1 ZINC000809688832 1317862762 /nfs/dbraw/zinc/86/27/62/1317862762.db2.gz PWCRMZJYCOWXFC-UHFFFAOYSA-N 0 3 330.384 3.374 20 10 EGCDHN CCOc1ccc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c([O-])c1 ZINC000809688832 1317862766 /nfs/dbraw/zinc/86/27/66/1317862766.db2.gz PWCRMZJYCOWXFC-UHFFFAOYSA-N 0 3 330.384 3.374 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN2CC(F)F)c2c1c(F)ccc2[O-] ZINC000858478889 1328774823 /nfs/dbraw/zinc/77/48/23/1328774823.db2.gz DDVLYSRKUZEQLO-NTZNESFSSA-N 0 3 328.378 3.399 20 10 EGCDHN C[C@@H](NCc1cc2ccccc2n(C)c1=O)c1ccc(N(C)C)cc1 ZINC000813883711 1318650183 /nfs/dbraw/zinc/65/01/83/1318650183.db2.gz WAOMDIHLHOICMZ-OAHLLOKOSA-N 0 3 335.451 3.455 20 10 EGCDHN Cc1cc(CN2CCC[C@@H](N3CCCCC3=O)C2)ccc1N(C)C ZINC000815046866 1318872809 /nfs/dbraw/zinc/87/28/09/1318872809.db2.gz BGQSHSDBXNCFIX-GOSISDBHSA-N 0 3 329.488 3.038 20 10 EGCDHN CC(C)NC(=O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815555196 1319014529 /nfs/dbraw/zinc/01/45/29/1319014529.db2.gz SKYUWYWURKRRFN-GOSISDBHSA-N 0 3 326.440 3.180 20 10 EGCDHN O=[N+]([O-])c1cc(CN2CCC[C@@H](CO)CC2)ccc1N1CCCCC1 ZINC000816665683 1319204652 /nfs/dbraw/zinc/20/46/52/1319204652.db2.gz QNUGIBWHJBXTQG-MRXNPFEDSA-N 0 3 347.459 3.180 20 10 EGCDHN CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1N)c1cc(Br)ccc1[O-] ZINC000818616600 1319571225 /nfs/dbraw/zinc/57/12/25/1319571225.db2.gz YNLYRNAJRIYLGH-MGPQQGTHSA-N 0 3 327.266 3.465 20 10 EGCDHN CN(C)c1ccc(CNC(=O)N2CCN(CCC(C)(C)C)CC2)cc1 ZINC000918000606 1319903125 /nfs/dbraw/zinc/90/31/25/1319903125.db2.gz UYKBXUHGZSQSDL-UHFFFAOYSA-N 0 3 346.519 3.016 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)[C@H](C)O1 ZINC000823854999 1320212140 /nfs/dbraw/zinc/21/21/40/1320212140.db2.gz ASTLBQRHRBGCRG-OQUILHJVSA-N 0 3 338.879 3.166 20 10 EGCDHN COc1cccc([O-])c1C[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000824590813 1320267429 /nfs/dbraw/zinc/26/74/29/1320267429.db2.gz QIMGBZXKYRRSGH-UHFFFAOYSA-N 0 3 325.767 3.362 20 10 EGCDHN Cc1nccn1CCCC[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825298173 1320324976 /nfs/dbraw/zinc/32/49/76/1320324976.db2.gz VWLYMBQWHXKLFQ-UHFFFAOYSA-N 0 3 338.249 3.230 20 10 EGCDHN CCCNC(=O)c1cccc(CNCc2ccc(N(C)C)cc2C)c1 ZINC000840931333 1321179765 /nfs/dbraw/zinc/17/97/65/1321179765.db2.gz RTZKFIXXKXZFQL-UHFFFAOYSA-N 0 3 339.483 3.491 20 10 EGCDHN COc1cc(Br)cc(C[NH2+]C[C@@H]2C[C@H](C)O[C@H]2C)c1[O-] ZINC000840964853 1321189406 /nfs/dbraw/zinc/18/94/06/1321189406.db2.gz WDUXAYKBAZJDOF-DCAQKATOSA-N 0 3 344.249 3.066 20 10 EGCDHN COc1cccc(O)c1CN[C@@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000841083204 1321216207 /nfs/dbraw/zinc/21/62/07/1321216207.db2.gz PRHWPZLTKUECHQ-OAHLLOKOSA-N 0 3 328.412 3.375 20 10 EGCDHN CC[C@H](CNC(=O)Nc1ccc(N)cc1)N1CCc2ccccc2C1 ZINC000841302531 1321250519 /nfs/dbraw/zinc/25/05/19/1321250519.db2.gz YVLIJCITWPPGLN-LJQANCHMSA-N 0 3 338.455 3.227 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC2(N(C)C)CC2)c1[O-] ZINC000841762736 1321308037 /nfs/dbraw/zinc/30/80/37/1321308037.db2.gz KOHRFAQCMNCTJD-LLVKDONJSA-N 0 3 327.266 3.208 20 10 EGCDHN CC[C@@H](NCc1ccc(N(C)C)c(F)c1)C(=O)NCc1cccs1 ZINC000842746776 1321427111 /nfs/dbraw/zinc/42/71/11/1321427111.db2.gz DXFLIVLKOPZYNI-MRXNPFEDSA-N 0 3 349.475 3.138 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)c1[O-] ZINC000843417432 1321514517 /nfs/dbraw/zinc/51/45/17/1321514517.db2.gz UFCQLZLKKHLLDK-DOMZBBRYSA-N 0 3 325.836 3.445 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)c1[O-] ZINC000843417432 1321514522 /nfs/dbraw/zinc/51/45/22/1321514522.db2.gz UFCQLZLKKHLLDK-DOMZBBRYSA-N 0 3 325.836 3.445 20 10 EGCDHN C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000843415526 1321514618 /nfs/dbraw/zinc/51/46/18/1321514618.db2.gz CHHFZYCRAMVBRQ-NEPJUHHUSA-N 0 3 326.412 3.313 20 10 EGCDHN CC(C)O[C@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000846013580 1321762409 /nfs/dbraw/zinc/76/24/09/1321762409.db2.gz CRUGWJXMYIVKJB-KRWDZBQOSA-N 0 3 336.451 3.052 20 10 EGCDHN O=C1CCCN1CC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000846204683 1321775590 /nfs/dbraw/zinc/77/55/90/1321775590.db2.gz ARMSIDAYJJNMOP-LJQANCHMSA-N 0 3 338.451 3.278 20 10 EGCDHN Fc1cc(CN2CCC[C@@H](OC3CCC3)C2)ccc1N1CCOCC1 ZINC000848925428 1322047669 /nfs/dbraw/zinc/04/76/69/1322047669.db2.gz VQGBYKNNGXPXDW-GOSISDBHSA-N 0 3 348.462 3.196 20 10 EGCDHN COCc1csc(CNCc2ccc(N3CCOCC3)cc2)c1 ZINC000850068614 1322189377 /nfs/dbraw/zinc/18/93/77/1322189377.db2.gz IGXNDCAWUZVOJM-UHFFFAOYSA-N 0 3 332.469 3.021 20 10 EGCDHN COc1cc(CN[C@@H]2CCN(C(C)(C)C)C2=O)c(O)c(C(C)(C)C)c1 ZINC000850334658 1322230053 /nfs/dbraw/zinc/23/00/53/1322230053.db2.gz QQXOHVBKUYNCAR-MRXNPFEDSA-N 0 3 348.487 3.187 20 10 EGCDHN COc1cccc(CNC[C@H](OC2CCCC2)C(F)(F)F)c1O ZINC000850355083 1322231982 /nfs/dbraw/zinc/23/19/82/1322231982.db2.gz DDYOCOLMKWLJJJ-AWEZNQCLSA-N 0 3 333.350 3.381 20 10 EGCDHN CCOc1ccc(O)c(CN[C@@H](COC)c2cccc(OC)c2)c1 ZINC000850362192 1322234387 /nfs/dbraw/zinc/23/43/87/1322234387.db2.gz JIITUNQQEFIUKS-SFHVURJKSA-N 0 3 331.412 3.277 20 10 EGCDHN C[C@H]([NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1)c1cc(F)ccc1[O-] ZINC000850580556 1322273425 /nfs/dbraw/zinc/27/34/25/1322273425.db2.gz OKVOGIDFUXVCCN-VXJOIVPMSA-N 0 3 329.293 3.333 20 10 EGCDHN O=C1OCCN1c1cccc(CNCc2ccc3c(c2)CCCO3)c1 ZINC000921578419 1322357281 /nfs/dbraw/zinc/35/72/81/1322357281.db2.gz NPZWQWCCDNHSJT-UHFFFAOYSA-N 0 3 338.407 3.258 20 10 EGCDHN CC(C)(C)n1nnc(CC[N@H+](Cc2ccccc2[O-])C2CCCC2)n1 ZINC000851768529 1323085429 /nfs/dbraw/zinc/08/54/29/1323085429.db2.gz BDBCHQVZUZREFA-UHFFFAOYSA-N 0 3 343.475 3.121 20 10 EGCDHN CC(C)(C)n1nnc(CC[N@@H+](Cc2ccccc2[O-])C2CCCC2)n1 ZINC000851768529 1323085438 /nfs/dbraw/zinc/08/54/38/1323085438.db2.gz BDBCHQVZUZREFA-UHFFFAOYSA-N 0 3 343.475 3.121 20 10 EGCDHN CC(C)c1ccc2c(c1)CN(Cc1cc3c(cc1O)OC[C@H]3O)CC2 ZINC000853533596 1325116613 /nfs/dbraw/zinc/11/66/13/1325116613.db2.gz JVPIKILORSEHDY-HXUWFJFHSA-N 0 3 339.435 3.500 20 10 EGCDHN CC(C)c1ccc2c(c1)C[N@@H+](Cc1cc3c(cc1[O-])OC[C@H]3O)CC2 ZINC000853533596 1325116618 /nfs/dbraw/zinc/11/66/18/1325116618.db2.gz JVPIKILORSEHDY-HXUWFJFHSA-N 0 3 339.435 3.500 20 10 EGCDHN CC(C)c1ccc2c(c1)C[N@H+](Cc1cc3c(cc1[O-])OC[C@H]3O)CC2 ZINC000853533596 1325116625 /nfs/dbraw/zinc/11/66/25/1325116625.db2.gz JVPIKILORSEHDY-HXUWFJFHSA-N 0 3 339.435 3.500 20 10 EGCDHN CCc1cccc(CN2Cc3ccccc3[C@@H](C(=O)OC)C2)c1O ZINC000862538407 1329493778 /nfs/dbraw/zinc/49/37/78/1329493778.db2.gz ROJWYKSRRVBCJP-SFHVURJKSA-N 0 3 325.408 3.227 20 10 EGCDHN COc1ccc(Br)c(C[N@H+]2CC[C@H](OC)C[C@H]2C)c1[O-] ZINC001231556155 1376262797 /nfs/dbraw/zinc/26/27/97/1376262797.db2.gz YIZDKZYHTFQOOB-MNOVXSKESA-N 0 3 344.249 3.163 20 10 EGCDHN COc1ccc(Br)c(C[N@@H+]2CC[C@H](OC)C[C@H]2C)c1[O-] ZINC001231556155 1376262799 /nfs/dbraw/zinc/26/27/99/1376262799.db2.gz YIZDKZYHTFQOOB-MNOVXSKESA-N 0 3 344.249 3.163 20 10 EGCDHN CC(C)=CCN1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC001089068343 1360158492 /nfs/dbraw/zinc/15/84/92/1360158492.db2.gz ZFJHSXDIMDGLET-CJNGLKHVSA-N 0 3 343.431 3.008 20 10 EGCDHN O=C(c1ccccc1)N1CCC[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC001325316446 1387932195 /nfs/dbraw/zinc/93/21/95/1387932195.db2.gz TXBSNCYPZZZVTI-ROUUACIJSA-N 0 3 336.435 3.274 20 10 EGCDHN CC(C)(C)OC(=O)N1CC([C@@H]2CC[N@H+](Cc3ccccc3[O-])C2)C1 ZINC001203551692 1370166559 /nfs/dbraw/zinc/16/65/59/1370166559.db2.gz KMAHCRRFMZQDCJ-CQSZACIVSA-N 0 3 332.444 3.081 20 10 EGCDHN CC(C)(C)OC(=O)N1CC([C@@H]2CC[N@@H+](Cc3ccccc3[O-])C2)C1 ZINC001203551692 1370166563 /nfs/dbraw/zinc/16/65/63/1370166563.db2.gz KMAHCRRFMZQDCJ-CQSZACIVSA-N 0 3 332.444 3.081 20 10 EGCDHN O=C1C[C@]2(CC[N@@H+](Cc3ccccc3[O-])C2)CN1c1ccsc1 ZINC001203552575 1370167816 /nfs/dbraw/zinc/16/78/16/1370167816.db2.gz OLPMTZMXOGPIAB-SFHVURJKSA-N 0 3 328.437 3.083 20 10 EGCDHN O=C1C[C@]2(CC[N@H+](Cc3ccccc3[O-])C2)CN1c1ccsc1 ZINC001203552575 1370167818 /nfs/dbraw/zinc/16/78/18/1370167818.db2.gz OLPMTZMXOGPIAB-SFHVURJKSA-N 0 3 328.437 3.083 20 10 EGCDHN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3ccccc3[O-])C[C@H]2C1 ZINC001203555720 1370168417 /nfs/dbraw/zinc/16/84/17/1370168417.db2.gz DPSKSSSZBRLIDM-ZBFHGGJFSA-N 0 3 332.444 3.081 20 10 EGCDHN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3ccccc3[O-])C[C@H]2C1 ZINC001203555720 1370168425 /nfs/dbraw/zinc/16/84/25/1370168425.db2.gz DPSKSSSZBRLIDM-ZBFHGGJFSA-N 0 3 332.444 3.081 20 10 EGCDHN COc1cccc(CN(CCOC(C)C)CCOC(C)C)c1O ZINC001203595965 1370182726 /nfs/dbraw/zinc/18/27/26/1370182726.db2.gz UXQGWUFOAVVIDZ-UHFFFAOYSA-N 0 3 325.449 3.053 20 10 EGCDHN CCOc1cccc(CN2CCN3CCc4ccccc4[C@@H]3C2)c1O ZINC001203614309 1370188245 /nfs/dbraw/zinc/18/82/45/1370188245.db2.gz VYRHGZBCJLMXEW-IBGZPJMESA-N 0 3 338.451 3.206 20 10 EGCDHN COc1ccc(C[NH+]2CCC(O)(c3ccc(F)cc3)CC2)c([O-])c1 ZINC001203629838 1370192777 /nfs/dbraw/zinc/19/27/77/1370192777.db2.gz MPKIHVBRCVLKCU-UHFFFAOYSA-N 0 3 331.387 3.024 20 10 EGCDHN C[N@H+](C1CCOCC1)C1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC001203663619 1370207142 /nfs/dbraw/zinc/20/71/42/1370207142.db2.gz BUQXREADRMVMKC-UHFFFAOYSA-N 0 3 338.879 3.121 20 10 EGCDHN C[N@@H+](C1CCOCC1)C1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC001203663619 1370207147 /nfs/dbraw/zinc/20/71/47/1370207147.db2.gz BUQXREADRMVMKC-UHFFFAOYSA-N 0 3 338.879 3.121 20 10 EGCDHN Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCc1cc(=O)n2ccccc2n1 ZINC001326800981 1388315106 /nfs/dbraw/zinc/31/51/06/1388315106.db2.gz PSRQQBWQYOFWSQ-ZFWWWQNUSA-N 0 3 335.407 3.047 20 10 EGCDHN COc1ccc(Br)c(CN2CC[C@H](OC)C[C@H]2C)c1O ZINC001231556155 1376262792 /nfs/dbraw/zinc/26/27/92/1376262792.db2.gz YIZDKZYHTFQOOB-MNOVXSKESA-N 0 3 344.249 3.163 20 10 EGCDHN COc1cc(Cl)cc(C[NH+]2CCC3(C[C@@H]3CCO)CC2)c1[O-] ZINC001233287748 1376604484 /nfs/dbraw/zinc/60/44/84/1376604484.db2.gz GILCTJCRSUGYRQ-ZDUSSCGKSA-N 0 3 325.836 3.039 20 10 EGCDHN COc1cc(Cl)cc(CN2CCC[C@@H](Oc3ccncc3)C2)c1O ZINC001233291097 1376605558 /nfs/dbraw/zinc/60/55/58/1376605558.db2.gz LXAXZXQMFDUAAT-MRXNPFEDSA-N 0 3 348.830 3.493 20 10 EGCDHN [O-]c1c(C[NH+]2CCC3(C[C@H]3CCO)CC2)cccc1OC(F)(F)F ZINC001233737108 1376705923 /nfs/dbraw/zinc/70/59/23/1376705923.db2.gz WCSHLONPYVGGGA-CYBMUJFWSA-N 0 3 345.361 3.275 20 10 EGCDHN [O-]c1ccc(Br)cc1CN1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235038188 1376837095 /nfs/dbraw/zinc/83/70/95/1376837095.db2.gz DNLYKESQHAIOJK-INIZCTEOSA-N 0 3 339.277 3.263 20 10 EGCDHN COc1cc(CN2CC[C@@H](OCc3ccccc3)C2)c(O)c(OC)c1 ZINC001237676880 1376982539 /nfs/dbraw/zinc/98/25/39/1376982539.db2.gz RXWKSRAHQKYHGU-QGZVFWFLSA-N 0 3 343.423 3.201 20 10 EGCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@](C)(O)[C@@H](C)C2)cc1Br ZINC001237676471 1376982796 /nfs/dbraw/zinc/98/27/96/1376982796.db2.gz IMOKBLHDPUNFLZ-NHYWBVRUSA-N 0 3 328.250 3.056 20 10 EGCDHN Cc1cc([O-])c(C[N@H+]2CC[C@](C)(O)[C@@H](C)C2)cc1Br ZINC001237676471 1376982801 /nfs/dbraw/zinc/98/28/01/1376982801.db2.gz IMOKBLHDPUNFLZ-NHYWBVRUSA-N 0 3 328.250 3.056 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC(N3CC(F)C3)CC2)c(OC)c1 ZINC001138390392 1377714678 /nfs/dbraw/zinc/71/46/78/1377714678.db2.gz VIVIFESZJNYDNE-UHFFFAOYSA-N 0 3 349.494 3.160 20 10 EGCDHN Cc1cc(CN2CCCC[C@@](O)(C(F)(F)F)C2)ccc1N(C)C ZINC001139669755 1377930631 /nfs/dbraw/zinc/93/06/31/1377930631.db2.gz MADATONLPPBQEM-INIZCTEOSA-N 0 3 330.394 3.340 20 10 EGCDHN Cc1cc(CN2CCC[C@@H](C(F)(F)F)[C@H]2CO)ccc1N(C)C ZINC001139670037 1377930660 /nfs/dbraw/zinc/93/06/60/1377930660.db2.gz WNKZCIZRPRUGCQ-GDBMZVCRSA-N 0 3 330.394 3.196 20 10 EGCDHN COC(=O)c1cccc2[nH]cc(C[N@@H+]3CCc4cccc([O-])c4C3)c21 ZINC001139720939 1377941125 /nfs/dbraw/zinc/94/11/25/1377941125.db2.gz RPHLGZLQTNXFIM-UHFFFAOYSA-N 0 3 336.391 3.218 20 10 EGCDHN COC(=O)c1cccc2[nH]cc(C[N@H+]3CCc4cccc([O-])c4C3)c21 ZINC001139720939 1377941126 /nfs/dbraw/zinc/94/11/26/1377941126.db2.gz RPHLGZLQTNXFIM-UHFFFAOYSA-N 0 3 336.391 3.218 20 10 EGCDHN [O-]c1ccc(F)cc1C[NH+]1CCC2(C[C@@H](OCC3CC3)CO2)CC1 ZINC001140053786 1377996650 /nfs/dbraw/zinc/99/66/50/1377996650.db2.gz DEJYUPOFYHLLFX-QGZVFWFLSA-N 0 3 335.419 3.081 20 10 EGCDHN CCOC[C@@H]1COCCC12CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001140055792 1377996804 /nfs/dbraw/zinc/99/68/04/1377996804.db2.gz VGOGORMUKLHLKM-MRXNPFEDSA-N 0 3 337.435 3.187 20 10 EGCDHN CCN1CCN(c2ccc(CN3CC[C@@](C)(F)[C@@H](F)C3)cc2)CC1 ZINC001140302657 1378042807 /nfs/dbraw/zinc/04/28/07/1378042807.db2.gz WZBKEOUNNKQABZ-RBUKOAKNSA-N 0 3 337.458 3.101 20 10 EGCDHN [O-]c1cccc(Cl)c1C[N@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001140339074 1378049439 /nfs/dbraw/zinc/04/94/39/1378049439.db2.gz FAJKKESMYLILHC-GASCZTMLSA-N 0 3 343.858 3.004 20 10 EGCDHN [O-]c1cccc(Cl)c1C[N@@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001140339074 1378049441 /nfs/dbraw/zinc/04/94/41/1378049441.db2.gz FAJKKESMYLILHC-GASCZTMLSA-N 0 3 343.858 3.004 20 10 EGCDHN CC(C)=CCN1CCC2(CC[NH+](Cc3ccccc3[O-])CC2)C1=O ZINC001272618273 1378076308 /nfs/dbraw/zinc/07/63/08/1378076308.db2.gz DVELLRGNDNBEPY-UHFFFAOYSA-N 0 3 328.456 3.173 20 10 EGCDHN Cc1c(O)ccc(CN2CCN(Cc3ccc(F)cc3)C[C@H]2C)c1O ZINC001140742711 1378128631 /nfs/dbraw/zinc/12/86/31/1378128631.db2.gz WFXBSKAWKAEBOA-CQSZACIVSA-N 0 3 344.430 3.252 20 10 EGCDHN CC(C)(C)OC(=O)N1CC[C@]12CCCN(Cc1cc(O)ccc1O)C2 ZINC001141156967 1378252601 /nfs/dbraw/zinc/25/26/01/1378252601.db2.gz ZMAPHNLCNFQPMQ-IBGZPJMESA-N 0 3 348.443 3.073 20 10 EGCDHN C[C@@]1(c2ccc(Cl)cc2)CN(Cc2c(O)cc(O)cc2O)CCO1 ZINC001144514917 1378739805 /nfs/dbraw/zinc/73/98/05/1378739805.db2.gz XOKINQBVRSLWKS-SFHVURJKSA-N 0 3 349.814 3.204 20 10 EGCDHN COc1ccc(N2CCN(CCCNc3cncc(C)c3)CC2)cc1 ZINC001164333679 1383178293 /nfs/dbraw/zinc/17/82/93/1383178293.db2.gz BXLSUWANSLAGKG-UHFFFAOYSA-N 0 3 340.471 3.023 20 10 EGCDHN O=C(c1ccccc1)N1CCC[C@H]([N@H+]2CCc3cccc([O-])c3C2)C1 ZINC001169780796 1384185787 /nfs/dbraw/zinc/18/57/87/1384185787.db2.gz BMPZXSBVNGMKPC-SFHVURJKSA-N 0 3 336.435 3.055 20 10 EGCDHN O=C(c1ccccc1)N1CCC[C@H]([N@@H+]2CCc3cccc([O-])c3C2)C1 ZINC001169780796 1384185788 /nfs/dbraw/zinc/18/57/88/1384185788.db2.gz BMPZXSBVNGMKPC-SFHVURJKSA-N 0 3 336.435 3.055 20 10 EGCDHN C[C@H]1CN(Cc2ccc(N3CCCC3)cc2)CC2(CCOCC2)O1 ZINC001321440686 1386904971 /nfs/dbraw/zinc/90/49/71/1386904971.db2.gz QJKXAKAEORSEHE-KRWDZBQOSA-N 0 3 330.472 3.057 20 10 EGCDHN CCN(Cc1ccoc1)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001337026201 1389239733 /nfs/dbraw/zinc/23/97/33/1389239733.db2.gz PTWPZIDFKWUECY-UHFFFAOYSA-N 0 3 331.435 3.193 20 10 EGCDHN C[C@H](NCC(=O)N1CCc2sccc2C1)c1ccc(N(C)C)cc1 ZINC000089544381 454160728 /nfs/dbraw/zinc/16/07/28/454160728.db2.gz FEBVLPUULGEJEY-AWEZNQCLSA-N 0 3 343.496 3.050 20 10 EGCDHN C[C@H](NCCNC(=O)c1c(F)cccc1F)c1ccc(N(C)C)cc1 ZINC000089624461 454169557 /nfs/dbraw/zinc/16/95/57/454169557.db2.gz HARUVLFKNHEQPA-ZDUSSCGKSA-N 0 3 347.409 3.111 20 10 EGCDHN CC(C)(CCS(C)(=O)=O)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000266141202 455424209 /nfs/dbraw/zinc/42/42/09/455424209.db2.gz HIIPNHAWLJRBEZ-UHFFFAOYSA-N 0 3 347.480 3.362 20 10 EGCDHN COc1cccc([C@@H](C)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000119650964 454210289 /nfs/dbraw/zinc/21/02/89/454210289.db2.gz RLPNOLQJMGFLOB-MRXNPFEDSA-N 0 3 326.440 3.383 20 10 EGCDHN CCN(Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(N(C)C)cc1 ZINC000132221021 454322154 /nfs/dbraw/zinc/32/21/54/454322154.db2.gz SJLRIWMRJHLFJC-UHFFFAOYSA-N 0 3 339.483 3.477 20 10 EGCDHN CCN(C[C@@H]1CC[N@H+](Cc2cccc(OC)c2[O-])C1)CC(F)(F)F ZINC000093771113 454734455 /nfs/dbraw/zinc/73/44/55/454734455.db2.gz CISFLDLATBZUPN-ZDUSSCGKSA-N 0 3 346.393 3.107 20 10 EGCDHN CCN(C[C@@H]1CC[N@@H+](Cc2cccc(OC)c2[O-])C1)CC(F)(F)F ZINC000093771113 454734460 /nfs/dbraw/zinc/73/44/60/454734460.db2.gz CISFLDLATBZUPN-ZDUSSCGKSA-N 0 3 346.393 3.107 20 10 EGCDHN COc1cccc(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)c1[O-] ZINC000124608576 454752914 /nfs/dbraw/zinc/75/29/14/454752914.db2.gz JGERFFYRQNXDGJ-LJQANCHMSA-N 0 3 327.424 3.346 20 10 EGCDHN C[C@H](NCC(=O)NCC(F)(F)F)c1ccc(N2CCCCC2)cc1 ZINC000160518329 455468674 /nfs/dbraw/zinc/46/86/74/455468674.db2.gz CVHBYSMOXDPXMD-ZDUSSCGKSA-N 0 3 343.393 3.006 20 10 EGCDHN C[C@@H](NCC(=O)NCC(F)(F)F)c1ccc(N2CCCCC2)cc1 ZINC000160518466 455468682 /nfs/dbraw/zinc/46/86/82/455468682.db2.gz CVHBYSMOXDPXMD-CYBMUJFWSA-N 0 3 343.393 3.006 20 10 EGCDHN C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc2ccccc2c1[O-] ZINC000184983266 455481879 /nfs/dbraw/zinc/48/18/79/455481879.db2.gz NIFGRDLOBDIVDP-INIZCTEOSA-N 0 3 341.499 3.222 20 10 EGCDHN C[C@H](CN1CCCC1=O)N[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000178490817 454956764 /nfs/dbraw/zinc/95/67/64/454956764.db2.gz IDWDAOITDSXNBB-HZPDHXFCSA-N 0 3 347.478 3.478 20 10 EGCDHN Cc1nn(C)cc1[C@@H](C)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000178723492 454969968 /nfs/dbraw/zinc/96/99/68/454969968.db2.gz JRMIGQRUSPVGEF-ZIAGYGMSSA-N 0 3 346.450 3.116 20 10 EGCDHN Cc1cccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c1[O-] ZINC000179656912 455065104 /nfs/dbraw/zinc/06/51/04/455065104.db2.gz YNVHJEBJRIBKTE-KRWDZBQOSA-N 0 3 340.471 3.398 20 10 EGCDHN Cc1cccc(C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c1[O-] ZINC000179656912 455065107 /nfs/dbraw/zinc/06/51/07/455065107.db2.gz YNVHJEBJRIBKTE-KRWDZBQOSA-N 0 3 340.471 3.398 20 10 EGCDHN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000171439555 455070316 /nfs/dbraw/zinc/07/03/16/455070316.db2.gz DKYVYSOBOMIDPL-MRXNPFEDSA-N 0 3 343.496 3.466 20 10 EGCDHN C[N@@H+]1CCC[C@@H]2CN(Cc3cc(Br)ccc3[O-])CC[C@@H]21 ZINC000156094398 455081091 /nfs/dbraw/zinc/08/10/91/455081091.db2.gz TUYPNQAMPWNAKI-DOMZBBRYSA-N 0 3 339.277 3.071 20 10 EGCDHN C[N@H+]1CCC[C@@H]2CN(Cc3cc(Br)ccc3[O-])CC[C@@H]21 ZINC000156094398 455081095 /nfs/dbraw/zinc/08/10/95/455081095.db2.gz TUYPNQAMPWNAKI-DOMZBBRYSA-N 0 3 339.277 3.071 20 10 EGCDHN O=C(NC1CCCCC1)NC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000179984164 455110179 /nfs/dbraw/zinc/11/01/79/455110179.db2.gz OMLGIDFKVFFWJT-UHFFFAOYSA-N 0 3 349.450 3.128 20 10 EGCDHN CC[C@H]([NH2+]Cc1cccc(OCC(=O)OC)c1)c1ccccc1[O-] ZINC000156602384 455136786 /nfs/dbraw/zinc/13/67/86/455136786.db2.gz GKAJAJFPIIVDDA-KRWDZBQOSA-N 0 3 329.396 3.185 20 10 EGCDHN C[C@@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnccn1 ZINC000130075306 455141004 /nfs/dbraw/zinc/14/10/04/455141004.db2.gz RDOMTFKLZRBABU-ZIAGYGMSSA-N 0 3 348.397 3.398 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CC[C@H](O)C2)c1[O-] ZINC000189281891 455169681 /nfs/dbraw/zinc/16/96/81/455169681.db2.gz GIUWFECJKYUBJV-LOWVWBTDSA-N 0 3 328.250 3.275 20 10 EGCDHN C[C@H](c1ccccc1)N1CCC(NC(=O)Cc2ccc(N)cc2)CC1 ZINC000237408343 455182709 /nfs/dbraw/zinc/18/27/09/455182709.db2.gz SOSTXYIBYNOIRU-MRXNPFEDSA-N 0 3 337.467 3.153 20 10 EGCDHN CC(C)(C)OC(=O)N1CC=C(CNCc2ccc3c(c2)CCO3)CC1 ZINC000189502820 455209316 /nfs/dbraw/zinc/20/93/16/455209316.db2.gz HCWDHLRTLUWFCI-UHFFFAOYSA-N 0 3 344.455 3.278 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](COCc3ccccc3)C1)OCO2 ZINC000172970608 455215096 /nfs/dbraw/zinc/21/50/96/455215096.db2.gz RTSKCGBBOOQYLX-INIZCTEOSA-N 0 3 341.407 3.160 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](COCc3ccccc3)C1)OCO2 ZINC000172970608 455215100 /nfs/dbraw/zinc/21/51/00/455215100.db2.gz RTSKCGBBOOQYLX-INIZCTEOSA-N 0 3 341.407 3.160 20 10 EGCDHN COc1ccc([O-])c(C[NH2+]C[C@@H](c2ccc(C)o2)N2CCCC2)c1 ZINC000181068555 455282896 /nfs/dbraw/zinc/28/28/96/455282896.db2.gz AFIOICDSNGSUIN-KRWDZBQOSA-N 0 3 330.428 3.229 20 10 EGCDHN FC(F)Oc1ccc(N2CCC[C@@H](NCc3ccccn3)C2)cc1 ZINC000174622572 455407135 /nfs/dbraw/zinc/40/71/35/455407135.db2.gz WMQHQOMKYHIOBJ-OAHLLOKOSA-N 0 3 333.382 3.442 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(Cn3cccn3)cc2)c1 ZINC000184920147 455472423 /nfs/dbraw/zinc/47/24/23/455472423.db2.gz LPQJZGWJPWJKPH-HNNXBMFYSA-N 0 3 337.423 3.496 20 10 EGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(N3CCO[C@H](C)C3)nc2)c1 ZINC000185033190 455489117 /nfs/dbraw/zinc/48/91/17/455489117.db2.gz GNFXXLQHGZDWBT-CVEARBPZSA-N 0 3 341.455 3.172 20 10 EGCDHN Cc1ccc(O)c([C@H](C)NCc2ccc(N3CCO[C@H](C)C3)nc2)c1 ZINC000185033190 455489123 /nfs/dbraw/zinc/48/91/23/455489123.db2.gz GNFXXLQHGZDWBT-CVEARBPZSA-N 0 3 341.455 3.172 20 10 EGCDHN COc1ccc(COCC[NH2+][C@H](C)c2cc(OC)ccc2[O-])cc1 ZINC000182346741 455494024 /nfs/dbraw/zinc/49/40/24/455494024.db2.gz PTDONWWUGVQMNN-CQSZACIVSA-N 0 3 331.412 3.277 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2CS(C)(=O)=O)c([O-])c1 ZINC000185650092 455589967 /nfs/dbraw/zinc/58/99/67/455589967.db2.gz VGXFZGQXODXYOR-CQSZACIVSA-N 0 3 333.453 3.096 20 10 EGCDHN CCCOc1ccc(C[NH2+][C@H]2C[C@@H](OCC)C23CCOCC3)c([O-])c1 ZINC000185656224 455590658 /nfs/dbraw/zinc/59/06/58/455590658.db2.gz CWQXHLHDHPKUMP-RBUKOAKNSA-N 0 3 349.471 3.245 20 10 EGCDHN CC[C@@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1ccccc1[O-] ZINC000271676967 455718961 /nfs/dbraw/zinc/71/89/61/455718961.db2.gz HQLIQVINLVYEAW-MRXNPFEDSA-N 0 3 334.441 3.005 20 10 EGCDHN Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1cccc(O)c1[O-] ZINC000193139816 455744040 /nfs/dbraw/zinc/74/40/40/455744040.db2.gz WPPILHQGOWJWNJ-UHFFFAOYSA-N 0 3 326.396 3.254 20 10 EGCDHN CCCCNC(=O)C1CCN(Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000293347777 455783316 /nfs/dbraw/zinc/78/33/16/455783316.db2.gz DLXCXTXFXHXWEK-UHFFFAOYSA-N 0 3 331.504 3.189 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCCCNC(=O)OC(C)(C)C)c1 ZINC000186517783 455784855 /nfs/dbraw/zinc/78/48/55/455784855.db2.gz DLHWOBXAIUOKAC-ZDUSSCGKSA-N 0 3 338.448 3.356 20 10 EGCDHN Cc1cc(CN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)ccc1N(C)C ZINC000293470173 455787981 /nfs/dbraw/zinc/78/79/81/455787981.db2.gz DZRCWKULTCUHRW-LSDHHAIUSA-N 0 3 330.394 3.054 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+]C[C@@](C)(O)c2ccco2)c1[O-] ZINC000271869296 455793635 /nfs/dbraw/zinc/79/36/35/455793635.db2.gz WZQULRAPXCDDQD-OAHLLOKOSA-N 0 3 340.217 3.053 20 10 EGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]Cc2cccc(N3CCOCC3)c2)c1 ZINC000293854139 455798955 /nfs/dbraw/zinc/79/89/55/455798955.db2.gz YOHBORMDAKUJBD-INIZCTEOSA-N 0 3 326.440 3.388 20 10 EGCDHN Cc1cc(C)c([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)c([O-])c1 ZINC000285374736 455832142 /nfs/dbraw/zinc/83/21/42/455832142.db2.gz WCTGFGXWRXNQHZ-YTQUADARSA-N 0 3 346.515 3.428 20 10 EGCDHN CCCOc1ccc(C[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c([O-])c1 ZINC000294915758 455832173 /nfs/dbraw/zinc/83/21/73/455832173.db2.gz YIVWTUFIYWPKOK-OAHLLOKOSA-N 0 3 348.487 3.295 20 10 EGCDHN CCCOc1ccc(C[N@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c([O-])c1 ZINC000294915758 455832176 /nfs/dbraw/zinc/83/21/76/455832176.db2.gz YIVWTUFIYWPKOK-OAHLLOKOSA-N 0 3 348.487 3.295 20 10 EGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)CC2 ZINC000295957477 455864311 /nfs/dbraw/zinc/86/43/11/455864311.db2.gz LXLLFOUXHVRPDQ-CVEARBPZSA-N 0 3 344.480 3.104 20 10 EGCDHN CN1CCCc2cc(CNCc3ccc4c(c3)CCC(=O)N4C)ccc21 ZINC000187173924 455876485 /nfs/dbraw/zinc/87/64/85/455876485.db2.gz NDHVSRFTNHGIDN-UHFFFAOYSA-N 0 3 349.478 3.268 20 10 EGCDHN CC[C@@H](NCc1cccnc1OCCOC)c1ccc(C)cc1O ZINC000280007515 455880644 /nfs/dbraw/zinc/88/06/44/455880644.db2.gz GMBNTVYYRDBBOO-QGZVFWFLSA-N 0 3 330.428 3.362 20 10 EGCDHN C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(O)c1 ZINC000194862916 455893195 /nfs/dbraw/zinc/89/31/95/455893195.db2.gz FGAYLFLQWPGIIC-CQSZACIVSA-N 0 3 344.430 3.343 20 10 EGCDHN CC[C@@H]([NH2+][C@H](C)C(=O)NCc1ccccc1)c1ccc(C)cc1[O-] ZINC000280171054 455908103 /nfs/dbraw/zinc/90/81/03/455908103.db2.gz RDPOOWUCFZNQAN-CRAIPNDOSA-N 0 3 326.440 3.446 20 10 EGCDHN CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(OC)c2[O-])[C@@H]1Oc1ccccc1 ZINC000187638268 455932164 /nfs/dbraw/zinc/93/21/64/455932164.db2.gz SLCKYBXWOYZTLI-HQRMLTQVSA-N 0 3 343.423 3.115 20 10 EGCDHN C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(F)c(F)c1[O-] ZINC000187674071 455936527 /nfs/dbraw/zinc/93/65/27/455936527.db2.gz FEUUYBYAYMHIHU-MCIONIFRSA-N 0 3 342.430 3.210 20 10 EGCDHN COC1(C)CC[NH+](Cc2cc(Br)cc(C)c2[O-])CC1 ZINC000272411456 455941704 /nfs/dbraw/zinc/94/17/04/455941704.db2.gz ZJDXIPADLFCTFK-UHFFFAOYSA-N 0 3 328.250 3.464 20 10 EGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)c1 ZINC000287730829 456076276 /nfs/dbraw/zinc/07/62/76/456076276.db2.gz YKKDONJPZSUFDN-HZPDHXFCSA-N 0 3 331.460 3.031 20 10 EGCDHN Cc1nccn1CCNCc1ccc(N(C)C)cc1C(F)(F)F ZINC000280984511 456100904 /nfs/dbraw/zinc/10/09/04/456100904.db2.gz UQJUHKUISWETLC-UHFFFAOYSA-N 0 3 326.366 3.066 20 10 EGCDHN CCOc1cccc(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)c1[O-] ZINC000236904126 456199721 /nfs/dbraw/zinc/19/97/21/456199721.db2.gz QCKCIDUYQQCKEX-INIZCTEOSA-N 0 3 330.428 3.311 20 10 EGCDHN COC[C@]1(C[NH2+][C@@H](C)c2ccccc2[O-])OCCc2ccccc21 ZINC000289980489 456203797 /nfs/dbraw/zinc/20/37/97/456203797.db2.gz XWFASEVMLPUDCV-YWZLYKJASA-N 0 3 327.424 3.157 20 10 EGCDHN Cc1ccc(CN2CC[C@@H]([NH2+][C@H](C)c3ccc(C)cc3[O-])C2=O)cc1 ZINC000189080191 456220817 /nfs/dbraw/zinc/22/08/17/456220817.db2.gz AKBODNNYKMATIF-VQIMIIECSA-N 0 3 338.451 3.461 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCOc2cc(OC)cc(OC)c2)c1 ZINC000273479102 456232706 /nfs/dbraw/zinc/23/27/06/456232706.db2.gz LPYLLBZSLMNAGO-ZDUSSCGKSA-N 0 3 347.411 3.148 20 10 EGCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000290073701 456233226 /nfs/dbraw/zinc/23/32/26/456233226.db2.gz FXYODKYIDOOMFY-LJQANCHMSA-N 0 3 333.378 3.098 20 10 EGCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000290073701 456233228 /nfs/dbraw/zinc/23/32/28/456233228.db2.gz FXYODKYIDOOMFY-LJQANCHMSA-N 0 3 333.378 3.098 20 10 EGCDHN COc1cccc(N2CC[C@H]([NH2+][C@H](C)c3cc(OC)ccc3[O-])C2)c1 ZINC000273612608 456241271 /nfs/dbraw/zinc/24/12/71/456241271.db2.gz WQHGXBNROQEIGC-CABCVRRESA-N 0 3 342.439 3.339 20 10 EGCDHN CCNC(=O)COc1cccc(C[NH2+][C@@H](CC)c2ccccc2[O-])c1 ZINC000274858681 456266018 /nfs/dbraw/zinc/26/60/18/456266018.db2.gz CKVPTMPNZQWJFD-SFHVURJKSA-N 0 3 342.439 3.148 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)CC[S@](C)=O)c1[O-] ZINC000275372081 456273941 /nfs/dbraw/zinc/27/39/41/456273941.db2.gz VVXWCJYGBWMGSP-ADWYPQAOSA-N 0 3 348.306 3.271 20 10 EGCDHN Cc1cc(Br)cc(CN2CC[C@H](O)C(C)(C)C2)c1O ZINC000276095348 456388114 /nfs/dbraw/zinc/38/81/14/456388114.db2.gz YKJNARXQGIUDRV-ZDUSSCGKSA-N 0 3 328.250 3.056 20 10 EGCDHN CCOc1cccc(CN[C@@]2(CO)CCCc3ccccc32)c1O ZINC000282346767 456484087 /nfs/dbraw/zinc/48/40/87/456484087.db2.gz MNMBNJXZSITROF-HXUWFJFHSA-N 0 3 327.424 3.105 20 10 EGCDHN C[C@@H]([NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1)c1ccccc1[O-] ZINC000282364172 456490240 /nfs/dbraw/zinc/49/02/40/456490240.db2.gz HXCCFRKBTQYYAH-GDBMZVCRSA-N 0 3 325.412 3.349 20 10 EGCDHN CCC[N@H+](CCCCCS(=O)(=O)CC)Cc1ccccc1[O-] ZINC000276534853 456509799 /nfs/dbraw/zinc/50/97/99/456509799.db2.gz YEVJNEQLVIQOKW-UHFFFAOYSA-N 0 3 327.490 3.209 20 10 EGCDHN CCC[N@@H+](CCCCCS(=O)(=O)CC)Cc1ccccc1[O-] ZINC000276534853 456509808 /nfs/dbraw/zinc/50/98/08/456509808.db2.gz YEVJNEQLVIQOKW-UHFFFAOYSA-N 0 3 327.490 3.209 20 10 EGCDHN Cc1cc([O-])c(C[NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)cc1C ZINC000283034349 456695759 /nfs/dbraw/zinc/69/57/59/456695759.db2.gz QRQGLSQOFPKAEB-SFHVURJKSA-N 0 3 339.439 3.405 20 10 EGCDHN O=C(NCc1ccccc1O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000299468815 456703283 /nfs/dbraw/zinc/70/32/83/456703283.db2.gz CEYQHUSMLKPRCG-GOSISDBHSA-N 0 3 339.439 3.029 20 10 EGCDHN Cc1cccc(C[NH2+]C[C@@H](O)c2cccc(Br)c2)c1[O-] ZINC000283099566 456710636 /nfs/dbraw/zinc/71/06/36/456710636.db2.gz SUSUQMMGSOGXBL-OAHLLOKOSA-N 0 3 336.229 3.286 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CCO1 ZINC000378428589 457395145 /nfs/dbraw/zinc/39/51/45/457395145.db2.gz JPYSPPGYXNSPDT-XYPHTWIQSA-N 0 3 338.879 3.167 20 10 EGCDHN C[C@@H](C[S@@](C)=O)NCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000375742460 458046307 /nfs/dbraw/zinc/04/63/07/458046307.db2.gz LPGWFUYNOGKJLI-UPCLLVRISA-N 0 3 342.508 3.106 20 10 EGCDHN FC(F)Oc1ccc(N2CCC(NCc3ccccn3)CC2)cc1 ZINC000368901687 458063294 /nfs/dbraw/zinc/06/32/94/458063294.db2.gz OIUQSWBPNGFPAB-UHFFFAOYSA-N 0 3 333.382 3.442 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](Cc2ccc(F)cc2)OC)c1 ZINC000528435728 459806622 /nfs/dbraw/zinc/80/66/22/459806622.db2.gz DGGCMPPXRDHJCX-DYVFJYSZSA-N 0 3 333.403 3.448 20 10 EGCDHN CCC[C@@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000727310652 574660492 /nfs/dbraw/zinc/66/04/92/574660492.db2.gz OCVOCPHUXDRVME-HXUWFJFHSA-N 0 3 339.483 3.500 20 10 EGCDHN Cc1ccc(O)c(CNCC(=O)Nc2ccc(Br)cc2)c1 ZINC000733324850 575327710 /nfs/dbraw/zinc/32/77/10/575327710.db2.gz GQFJYWSCJFTKEY-UHFFFAOYSA-N 0 3 349.228 3.191 20 10 EGCDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)COCc1ccco1)C1CCCC1 ZINC000733613631 575375361 /nfs/dbraw/zinc/37/53/61/575375361.db2.gz FBMWFMCOKMLAKP-GOSISDBHSA-N 0 3 345.439 3.308 20 10 EGCDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)COCc1ccco1)C1CCCC1 ZINC000733613631 575375363 /nfs/dbraw/zinc/37/53/63/575375363.db2.gz FBMWFMCOKMLAKP-GOSISDBHSA-N 0 3 345.439 3.308 20 10 EGCDHN COc1ccc(C2([NH2+]Cc3cccc(OC)c3[O-])CCOCC2)cc1 ZINC000742373131 576775111 /nfs/dbraw/zinc/77/51/11/576775111.db2.gz OWEAIPWYSIYPLN-UHFFFAOYSA-N 0 3 343.423 3.205 20 10 EGCDHN COC[C@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(C)C ZINC000742373375 576775164 /nfs/dbraw/zinc/77/51/64/576775164.db2.gz APLWQPIMONJDBV-INIZCTEOSA-N 0 3 335.448 3.346 20 10 EGCDHN C[C@@H](C(=O)NCc1c(O)ccc2c1CCCC2)N1[C@H](C)CC[C@@H]1C ZINC000743716290 576815186 /nfs/dbraw/zinc/81/51/86/576815186.db2.gz ODMDMRBEFVVVFA-ZNMIVQPWSA-N 0 3 330.472 3.149 20 10 EGCDHN Cc1cc([O-])c(C[N@@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1C ZINC000744438449 576828354 /nfs/dbraw/zinc/82/83/54/576828354.db2.gz IJUIBIVQTRDKJI-INIZCTEOSA-N 0 3 334.460 3.450 20 10 EGCDHN Cc1cc([O-])c(C[N@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1C ZINC000744438449 576828355 /nfs/dbraw/zinc/82/83/55/576828355.db2.gz IJUIBIVQTRDKJI-INIZCTEOSA-N 0 3 334.460 3.450 20 10 EGCDHN Cc1cc(C(=O)NCCN2CC[C@H](C)C2)c(C)n1-c1cccc(C)c1 ZINC000744795862 576834597 /nfs/dbraw/zinc/83/45/97/576834597.db2.gz OEEORBBCQUQDJN-INIZCTEOSA-N 0 3 339.483 3.474 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](CO)CC2CC2)c1[O-] ZINC000779038184 1304521487 /nfs/dbraw/zinc/52/14/87/1304521487.db2.gz JXMLAPVFVSKENT-MFKMUULPSA-N 0 3 328.250 3.275 20 10 EGCDHN CCOc1cccc(CN2CCN(Cc3ccccc3)C[C@H]2C)c1O ZINC000769404197 1303108337 /nfs/dbraw/zinc/10/83/37/1303108337.db2.gz OYSBISURCISAEX-QGZVFWFLSA-N 0 3 340.467 3.497 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](O)[C@H](C)c2ccccc2)c1[O-] ZINC000827734491 1292362118 /nfs/dbraw/zinc/36/21/18/1292362118.db2.gz YOXVXCWJJMFGGE-MLGOLLRUSA-N 0 3 335.831 3.308 20 10 EGCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COc1ccccc1F ZINC000076074497 1292418187 /nfs/dbraw/zinc/41/81/87/1292418187.db2.gz BPJGWRVNJFIYKU-MRXNPFEDSA-N 0 3 333.403 3.183 20 10 EGCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)COc1ccccc1F ZINC000076074497 1292418193 /nfs/dbraw/zinc/41/81/93/1292418193.db2.gz BPJGWRVNJFIYKU-MRXNPFEDSA-N 0 3 333.403 3.183 20 10 EGCDHN C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@H]1COCCO1 ZINC000828563959 1292474547 /nfs/dbraw/zinc/47/45/47/1292474547.db2.gz KGBCTUOADSAIGC-APWZRJJASA-N 0 3 327.424 3.371 20 10 EGCDHN C[C@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@H]1COCCO1 ZINC000828563959 1292474551 /nfs/dbraw/zinc/47/45/51/1292474551.db2.gz KGBCTUOADSAIGC-APWZRJJASA-N 0 3 327.424 3.371 20 10 EGCDHN CCOC(=O)N1CCC([C@@H](C)[NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000834774827 1293145551 /nfs/dbraw/zinc/14/55/51/1293145551.db2.gz RSNQACTVGZJBKW-CZUORRHYSA-N 0 3 332.444 3.226 20 10 EGCDHN CNC(=O)C[C@@H](C)[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000834898647 1293169067 /nfs/dbraw/zinc/16/90/67/1293169067.db2.gz APUBVGYCFAIKAL-QAPCUYQASA-N 0 3 326.440 3.180 20 10 EGCDHN CCCC(=O)NC[C@H]1CCCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000124220466 1293470685 /nfs/dbraw/zinc/47/06/85/1293470685.db2.gz OJZJDGWCNKCKCY-MRXNPFEDSA-N 0 3 335.467 3.020 20 10 EGCDHN CCCCC[N@H+](CCO)Cc1cc(Br)cc(OC)c1[O-] ZINC000126869274 1293546200 /nfs/dbraw/zinc/54/62/00/1293546200.db2.gz AMRFBVFEWOEGFN-UHFFFAOYSA-N 0 3 346.265 3.148 20 10 EGCDHN CCCCC[N@@H+](CCO)Cc1cc(Br)cc(OC)c1[O-] ZINC000126869274 1293546202 /nfs/dbraw/zinc/54/62/02/1293546202.db2.gz AMRFBVFEWOEGFN-UHFFFAOYSA-N 0 3 346.265 3.148 20 10 EGCDHN COc1cccc(CN2CCN(c3ccc(C)c(C)c3)CC2)c1O ZINC000126908069 1293548165 /nfs/dbraw/zinc/54/81/65/1293548165.db2.gz MDIMJEDVASXHBX-UHFFFAOYSA-N 0 3 326.440 3.340 20 10 EGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCS[C@@H]4COCC[C@@H]43)c2c1 ZINC000131066316 1293678247 /nfs/dbraw/zinc/67/82/47/1293678247.db2.gz GRPPYQMIYFILPU-PKOBYXMFSA-N 0 3 345.464 3.260 20 10 EGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCS[C@@H]4COCC[C@@H]43)c2c1 ZINC000131066316 1293678254 /nfs/dbraw/zinc/67/82/54/1293678254.db2.gz GRPPYQMIYFILPU-PKOBYXMFSA-N 0 3 345.464 3.260 20 10 EGCDHN Cc1cc(CN2CCOC3(CCOCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000131223423 1293684233 /nfs/dbraw/zinc/68/42/33/1293684233.db2.gz QVLGOAMEYLTIIY-UHFFFAOYSA-N 0 3 333.472 3.380 20 10 EGCDHN COc1cc(CN2CCN(C)C[C@@H]2c2ccccc2)c(O)cc1C ZINC000159855943 1294248301 /nfs/dbraw/zinc/24/83/01/1294248301.db2.gz DNTODQHMCPEBJN-GOSISDBHSA-N 0 3 326.440 3.198 20 10 EGCDHN COc1ccc(CN(C)Cc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000159860128 1294248536 /nfs/dbraw/zinc/24/85/36/1294248536.db2.gz ZJACOXSTKGXYDU-UHFFFAOYSA-N 0 3 344.430 3.303 20 10 EGCDHN COc1ccc(O)c([C@H](C)NC(=O)Nc2cccc(CN(C)C)c2)c1 ZINC000171720414 1294415966 /nfs/dbraw/zinc/41/59/66/1294415966.db2.gz YNUQSVCPXCLOQO-ZDUSSCGKSA-N 0 3 343.427 3.345 20 10 EGCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2ccc(C)c(C)c2)c1 ZINC000182372538 1295039976 /nfs/dbraw/zinc/03/99/76/1295039976.db2.gz LIDWMXJYTGOILS-CQSZACIVSA-N 0 3 328.412 3.307 20 10 EGCDHN C[C@@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)c1cc(F)ccc1[O-] ZINC000185342215 1295257817 /nfs/dbraw/zinc/25/78/17/1295257817.db2.gz ABFDKYVWBOLJQV-GFCCVEGCSA-N 0 3 326.412 3.439 20 10 EGCDHN C[C@@H]([NH2+]CCc1nnc(-c2ccccc2)o1)c1cc(F)ccc1[O-] ZINC000186149336 1295307172 /nfs/dbraw/zinc/30/71/72/1295307172.db2.gz LINQBFWDDWBJPH-GFCCVEGCSA-N 0 3 327.359 3.475 20 10 EGCDHN CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000189964996 1295554789 /nfs/dbraw/zinc/55/47/89/1295554789.db2.gz BJIIRWZTWPLQBN-RTBURBONSA-N 0 3 327.424 3.220 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](C)NC(=O)OC(C)(C)C)c1[O-] ZINC000192679628 1295789765 /nfs/dbraw/zinc/78/97/65/1295789765.db2.gz CNEVIKVIHQPZEW-SNVBAGLBSA-N 0 3 344.839 3.057 20 10 EGCDHN CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000321842937 1297182510 /nfs/dbraw/zinc/18/25/10/1297182510.db2.gz AKQKCAIVWHYTGE-SHTZXODSSA-N 0 3 338.423 3.457 20 10 EGCDHN COc1ccc(CN[C@@H](C)c2cccc(O)c2)cc1Cn1cccn1 ZINC000873044256 1297243827 /nfs/dbraw/zinc/24/38/27/1297243827.db2.gz IGVFIWMNJCRXIH-HNNXBMFYSA-N 0 3 337.423 3.496 20 10 EGCDHN CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000383846395 1297574652 /nfs/dbraw/zinc/57/46/52/1297574652.db2.gz LDOYQKFEDFODNA-LSDHHAIUSA-N 0 3 332.444 3.369 20 10 EGCDHN CN(C)CCN(CC1CCCCC1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588406058 1298059474 /nfs/dbraw/zinc/05/94/74/1298059474.db2.gz BVZQVGOZXVTSNR-LUAWRHEFSA-N 0 3 346.471 3.082 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCc2cncc(Br)c2)c1 ZINC000703023798 1298199246 /nfs/dbraw/zinc/19/92/46/1298199246.db2.gz XDYIKBNDYOUNBJ-JTQLQIEISA-N 0 3 337.217 3.409 20 10 EGCDHN C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)c1cc(F)ccc1[O-] ZINC000715103474 1298277119 /nfs/dbraw/zinc/27/71/19/1298277119.db2.gz LOJOEAIMWIIEDG-OBJOEFQTSA-N 0 3 338.423 3.485 20 10 EGCDHN CO[C@H](CN(Cc1ccco1)Cc1ccccc1O)C1CCOCC1 ZINC000876510367 1298798147 /nfs/dbraw/zinc/79/81/47/1298798147.db2.gz MGJNXXOAGFSARE-HXUWFJFHSA-N 0 3 345.439 3.429 20 10 EGCDHN CO[C@H](C[N@H+](Cc1ccco1)Cc1ccccc1[O-])C1CCOCC1 ZINC000876510367 1298798157 /nfs/dbraw/zinc/79/81/57/1298798157.db2.gz MGJNXXOAGFSARE-HXUWFJFHSA-N 0 3 345.439 3.429 20 10 EGCDHN CO[C@H](C[N@@H+](Cc1ccco1)Cc1ccccc1[O-])C1CCOCC1 ZINC000876510367 1298798171 /nfs/dbraw/zinc/79/81/71/1298798171.db2.gz MGJNXXOAGFSARE-HXUWFJFHSA-N 0 3 345.439 3.429 20 10 EGCDHN CCN1CCN(c2ccc(NCc3c(C)cccc3O)cc2)CC1 ZINC000876820144 1299013328 /nfs/dbraw/zinc/01/33/28/1299013328.db2.gz KTAFORBWLUMRCI-UHFFFAOYSA-N 0 3 325.456 3.455 20 10 EGCDHN COc1ccc(CNCc2cc(OC)c(OC)cc2Cl)c(O)c1 ZINC000877494174 1299346873 /nfs/dbraw/zinc/34/68/73/1299346873.db2.gz UUMKFZYTMZGNCI-UHFFFAOYSA-N 0 3 337.803 3.361 20 10 EGCDHN COc1ccc(N2CC[C@H](C[NH2+]Cc3ccc(C)cc3[O-])C2)cc1 ZINC000877598733 1299423780 /nfs/dbraw/zinc/42/37/80/1299423780.db2.gz SAIHMTGTAGSTRH-MRXNPFEDSA-N 0 3 326.440 3.325 20 10 EGCDHN COc1cc(CN[C@H](C)c2ccccc2O)c([N+](=O)[O-])cc1OC ZINC000877756576 1299532613 /nfs/dbraw/zinc/53/26/13/1299532613.db2.gz UNFWSEPGUMHYDA-LLVKDONJSA-N 0 3 332.356 3.168 20 10 EGCDHN CCOc1ccc(O)c(CN2CCN(c3ccc(C)cc3)CC2)c1 ZINC000753577377 1299978180 /nfs/dbraw/zinc/97/81/80/1299978180.db2.gz UKHHJDNEYQTYGB-UHFFFAOYSA-N 0 3 326.440 3.422 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccccc2)c2c1c(F)ccc2[O-] ZINC000756398656 1300484366 /nfs/dbraw/zinc/48/43/66/1300484366.db2.gz XNKFEBCRRSPJQF-IOASZLSFSA-N 0 3 331.387 3.109 20 10 EGCDHN CCC(CC)[C@H](C[NH2+][C@H](C)c1ccc(C)cc1[O-])N1CCOCC1 ZINC000756398037 1300484783 /nfs/dbraw/zinc/48/47/83/1300484783.db2.gz BGJVLHKESWICGD-APWZRJJASA-N 0 3 334.504 3.488 20 10 EGCDHN CNC(=O)c1cccc(CC[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)c1 ZINC000756604125 1300528874 /nfs/dbraw/zinc/52/88/74/1300528874.db2.gz LRHABCKJLYBDOJ-MLGOLLRUSA-N 0 3 342.414 3.272 20 10 EGCDHN C[C@@H]([NH2+]CC1(N(C)C)Cc2ccccc2C1)c1cc(F)ccc1[O-] ZINC000756596881 1300529560 /nfs/dbraw/zinc/52/95/60/1300529560.db2.gz IEMWIJQCESOELV-CQSZACIVSA-N 0 3 328.431 3.281 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+]C2CN(C(=O)OC(C)(C)C)C2)c2c1c(F)ccc2[O-] ZINC000756648870 1300540560 /nfs/dbraw/zinc/54/05/60/1300540560.db2.gz LQWBPFURFKJPHN-ZWNOBZJWSA-N 0 3 336.407 3.289 20 10 EGCDHN CCc1nn(C)c(OC)c1CN[C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756664823 1300543683 /nfs/dbraw/zinc/54/36/83/1300543683.db2.gz QQCCVBCGOBUEOB-QMTHXVAHSA-N 0 3 333.407 3.174 20 10 EGCDHN C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccc(Cl)cc1)c1ccccc1[O-] ZINC000879649069 1300649189 /nfs/dbraw/zinc/64/91/89/1300649189.db2.gz LAUJBQBXLGEOMA-OLZOCXBDSA-N 0 3 332.831 3.401 20 10 EGCDHN C[C@@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)c1ccccc1[O-] ZINC000879650004 1300649812 /nfs/dbraw/zinc/64/98/12/1300649812.db2.gz XFXBCXIDHIJBGM-KGLIPLIRSA-N 0 3 330.403 3.402 20 10 EGCDHN C[C@@H](NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-])c1ccc(F)cc1 ZINC000879649357 1300649829 /nfs/dbraw/zinc/64/98/29/1300649829.db2.gz QYZWGYGFAVVJMH-MGPQQGTHSA-N 0 3 330.403 3.448 20 10 EGCDHN CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1cc([O-])cs1 ZINC000760131204 1301223934 /nfs/dbraw/zinc/22/39/34/1301223934.db2.gz KFGWLKAHHJNPPI-UHFFFAOYSA-N 0 3 338.498 3.499 20 10 EGCDHN CCN(CC)CCN(Cc1cccs1)C(=O)C1=CC(=O)CS1 ZINC000760131204 1301223942 /nfs/dbraw/zinc/22/39/42/1301223942.db2.gz KFGWLKAHHJNPPI-UHFFFAOYSA-N 0 3 338.498 3.499 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+](CCCO)Cc2ccccc2)c1[O-] ZINC000761193443 1301418074 /nfs/dbraw/zinc/41/80/74/1301418074.db2.gz DJTBWGNPOUEKBS-UHFFFAOYSA-N 0 3 335.831 3.439 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+](CCCO)Cc2ccccc2)c1[O-] ZINC000761193443 1301418080 /nfs/dbraw/zinc/41/80/80/1301418080.db2.gz DJTBWGNPOUEKBS-UHFFFAOYSA-N 0 3 335.831 3.439 20 10 EGCDHN C[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccsc1 ZINC000765252837 1302228647 /nfs/dbraw/zinc/22/86/47/1302228647.db2.gz JFHMXFHAPPZQSU-GDBMZVCRSA-N 0 3 343.496 3.301 20 10 EGCDHN CN1CCN(c2ccc(CNCc3csc(C4CC4)n3)cc2)CC1 ZINC000883283481 1302359500 /nfs/dbraw/zinc/35/95/00/1302359500.db2.gz HLRDLCGMZPPZEB-UHFFFAOYSA-N 0 3 342.512 3.062 20 10 EGCDHN C[C@@H](N[C@H]1CCCN(C)C1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000766436630 1302452056 /nfs/dbraw/zinc/45/20/56/1302452056.db2.gz KRCDERHPABEUPP-PBHICJAKSA-N 0 3 333.451 3.087 20 10 EGCDHN CCOc1cccc(CN2CCN(CCc3ccccc3)CC2)c1O ZINC000768215669 1302858234 /nfs/dbraw/zinc/85/82/34/1302858234.db2.gz KTYKONJNIAUJOV-UHFFFAOYSA-N 0 3 340.467 3.151 20 10 EGCDHN COc1cccc(O)c1CN1CCN(c2cc(C)ccc2C)CC1 ZINC000768247729 1302866860 /nfs/dbraw/zinc/86/68/60/1302866860.db2.gz ZGDSXVMILMLHIK-UHFFFAOYSA-N 0 3 326.440 3.340 20 10 EGCDHN CC1(C)CN(Cc2cc3c(cc2O)OC[C@H]3O)[C@H]1c1ccccc1 ZINC000768440901 1302903788 /nfs/dbraw/zinc/90/37/88/1302903788.db2.gz APRGJHKWUJQXPB-MJGOQNOKSA-N 0 3 325.408 3.401 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+](Cc1ccc(F)cc1)CC1CC1)[C@@H](O)CO2 ZINC000768447300 1302907047 /nfs/dbraw/zinc/90/70/47/1302907047.db2.gz OCTOYPASWPLNTL-IBGZPJMESA-N 0 3 343.398 3.369 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+](Cc1ccc(F)cc1)CC1CC1)[C@@H](O)CO2 ZINC000768447300 1302907055 /nfs/dbraw/zinc/90/70/55/1302907055.db2.gz OCTOYPASWPLNTL-IBGZPJMESA-N 0 3 343.398 3.369 20 10 EGCDHN Cc1ccccc1[C@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768444309 1302907951 /nfs/dbraw/zinc/90/79/51/1302907951.db2.gz XGXHZWMBWKBDHU-IEBWSBKVSA-N 0 3 325.408 3.464 20 10 EGCDHN Cc1ccccc1[C@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768444309 1302907963 /nfs/dbraw/zinc/90/79/63/1302907963.db2.gz XGXHZWMBWKBDHU-IEBWSBKVSA-N 0 3 325.408 3.464 20 10 EGCDHN COCCN(CCOc1ccc(F)cc1)Cc1c(O)cccc1OC ZINC000769387012 1303103386 /nfs/dbraw/zinc/10/33/86/1303103386.db2.gz HBGDIWJPPZQEPT-UHFFFAOYSA-N 0 3 349.402 3.067 20 10 EGCDHN COC[C@@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000769399499 1303107566 /nfs/dbraw/zinc/10/75/66/1303107566.db2.gz SQPQPPHCHOHUIO-MRXNPFEDSA-N 0 3 333.432 3.053 20 10 EGCDHN CCOc1ccc(O)c(CN2C[C@@H](CC)N(C(C)=O)C[C@H]2CC)c1 ZINC000769498082 1303126856 /nfs/dbraw/zinc/12/68/56/1303126856.db2.gz FIZKFMDQZJSZEN-IAGOWNOFSA-N 0 3 334.460 3.012 20 10 EGCDHN CCOc1ccc(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c([O-])c1 ZINC000770667303 1303303130 /nfs/dbraw/zinc/30/31/30/1303303130.db2.gz OPNWSVPILLWUKP-FQEVSTJZSA-N 0 3 325.408 3.422 20 10 EGCDHN CCOc1ccc(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c([O-])c1 ZINC000770667303 1303303135 /nfs/dbraw/zinc/30/31/35/1303303135.db2.gz OPNWSVPILLWUKP-FQEVSTJZSA-N 0 3 325.408 3.422 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2ccc(C)c(F)c2)c1 ZINC000775376452 1303948030 /nfs/dbraw/zinc/94/80/30/1303948030.db2.gz XCIFYCRKDANMJZ-LBPRGKRZSA-N 0 3 332.375 3.138 20 10 EGCDHN COc1ccc(O)c([C@H](C)N[C@@H](C)C(=O)Nc2cccc(C)c2)c1 ZINC000775371414 1303948846 /nfs/dbraw/zinc/94/88/46/1303948846.db2.gz XSIUPLSRCPUTJB-KBPBESRZSA-N 0 3 328.412 3.387 20 10 EGCDHN C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)NCC1CCCCC1 ZINC000775831123 1304045350 /nfs/dbraw/zinc/04/53/50/1304045350.db2.gz PVQARQNKRXKPMC-HZPDHXFCSA-N 0 3 331.504 3.488 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@](C)(O)C2CC2)c1[O-] ZINC000779023275 1304519852 /nfs/dbraw/zinc/51/98/52/1304519852.db2.gz BNVQPIMHIMXZAA-BMIGLBTASA-N 0 3 328.250 3.275 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2O)c1[O-] ZINC000779051852 1304523059 /nfs/dbraw/zinc/52/30/59/1304523059.db2.gz KWDASDRUWLZCLH-LERXQTSPSA-N 0 3 328.250 3.417 20 10 EGCDHN [O-]c1ccc(F)cc1C[NH2+]CCOc1cccc(Br)c1 ZINC000779062456 1304525025 /nfs/dbraw/zinc/52/50/25/1304525025.db2.gz PWYCDJNBKAJFBL-UHFFFAOYSA-N 0 3 340.192 3.462 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCCC[C@@H]2O)c1[O-] ZINC000779083359 1304528142 /nfs/dbraw/zinc/52/81/42/1304528142.db2.gz KWDASDRUWLZCLH-SWHYSGLUSA-N 0 3 328.250 3.417 20 10 EGCDHN CCCCNC(=O)C1([NH2+]Cc2ccc(OCC)cc2[O-])CCCCC1 ZINC000779174519 1304538304 /nfs/dbraw/zinc/53/83/04/1304538304.db2.gz OQSDPJRUBYRTIX-UHFFFAOYSA-N 0 3 348.487 3.500 20 10 EGCDHN C[C@H](NCc1ccc(N(C)C)cc1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000781049319 1304763280 /nfs/dbraw/zinc/76/32/80/1304763280.db2.gz NPTDPOVUTQXPTR-HOTGVXAUSA-N 0 3 337.467 3.209 20 10 EGCDHN Cc1ccc([C@@H](C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC000891250488 1305000269 /nfs/dbraw/zinc/00/02/69/1305000269.db2.gz AHEACNULCDCKLE-CRAIPNDOSA-N 0 3 343.471 3.177 20 10 EGCDHN COc1cc(CN2CCC[C@@H](Oc3ncccc3F)C2)c(O)cc1C ZINC000782844640 1305015872 /nfs/dbraw/zinc/01/58/72/1305015872.db2.gz ZJOLCNKOIKSUJR-OAHLLOKOSA-N 0 3 346.402 3.287 20 10 EGCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000783626165 1305118948 /nfs/dbraw/zinc/11/89/48/1305118948.db2.gz JVUPJCHXWAGCOQ-RHSMWYFYSA-N 0 3 338.879 3.026 20 10 EGCDHN COc1ccc(CNCc2cc(Cl)cc3c2OCC3)c(O)c1OC ZINC000893563020 1305970428 /nfs/dbraw/zinc/97/04/28/1305970428.db2.gz HHISKIUGPYBOEE-UHFFFAOYSA-N 0 3 349.814 3.288 20 10 EGCDHN Cc1cc(C)c([C@@H](C)NCc2ccc(S(C)(=O)=O)s2)c(O)c1 ZINC000788754878 1306009669 /nfs/dbraw/zinc/00/96/69/1306009669.db2.gz CKYKXUMDJCSHJU-GFCCVEGCSA-N 0 3 339.482 3.325 20 10 EGCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000893962846 1306149201 /nfs/dbraw/zinc/14/92/01/1306149201.db2.gz UCWXYRFVVJENFI-CYBMUJFWSA-N 0 3 344.402 3.373 20 10 EGCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000893962846 1306149206 /nfs/dbraw/zinc/14/92/06/1306149206.db2.gz UCWXYRFVVJENFI-CYBMUJFWSA-N 0 3 344.402 3.373 20 10 EGCDHN COc1cc(C)cc(CN[C@@H](Cn2cccn2)c2ccccc2)c1O ZINC000894290886 1306323537 /nfs/dbraw/zinc/32/35/37/1306323537.db2.gz GCBZSSGTOLENEK-SFHVURJKSA-N 0 3 337.423 3.437 20 10 EGCDHN Cc1cc(CN2C[C@@H](C)O[C@@]3(CCOC3)C2)c(O)c(C(C)(C)C)c1 ZINC000794702278 1309578176 /nfs/dbraw/zinc/57/81/76/1309578176.db2.gz JQMRPXOGLAMXQO-QRWLVFNGSA-N 0 3 333.472 3.378 20 10 EGCDHN Cc1ccc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)c([O-])c1 ZINC000898447998 1310739671 /nfs/dbraw/zinc/73/96/71/1310739671.db2.gz OCVBCMXRKOTZQX-IBGZPJMESA-N 0 3 327.472 3.159 20 10 EGCDHN CN(C)c1ccc([C@H](CNC(=S)Nc2ccsc2)N(C)C)cc1 ZINC000899724419 1317138712 /nfs/dbraw/zinc/13/87/12/1317138712.db2.gz NFXFJWQUNPIABL-INIZCTEOSA-N 0 3 348.541 3.403 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC[C@@H](O)C2CC2)c1[O-] ZINC000903407864 1317698061 /nfs/dbraw/zinc/69/80/61/1317698061.db2.gz QUEPJWLAUNESFK-QMTHXVAHSA-N 0 3 328.250 3.275 20 10 EGCDHN C[C@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccccc1[O-] ZINC000903448315 1317701824 /nfs/dbraw/zinc/70/18/24/1317701824.db2.gz MYDDFCGPHTXZHO-KXBFYZLASA-N 0 3 327.472 3.412 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCCOC[C@@H]2CCOC2)c1[O-] ZINC000808697303 1317717180 /nfs/dbraw/zinc/71/71/80/1317717180.db2.gz BYMSCLNLJDTVAP-KBPBESRZSA-N 0 3 327.852 3.448 20 10 EGCDHN CSC1(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC000809619042 1317846561 /nfs/dbraw/zinc/84/65/61/1317846561.db2.gz UKCJQXZOMSOVHS-HNNXBMFYSA-N 0 3 340.920 3.495 20 10 EGCDHN CCCN1CCC[C@H]1C[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000809716718 1317874937 /nfs/dbraw/zinc/87/49/37/1317874937.db2.gz YFEHYSGEZXCHTM-HNNXBMFYSA-N 0 3 341.293 3.427 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](c3ccccc3)C1)[C@H](O)CO2 ZINC000814224937 1318703093 /nfs/dbraw/zinc/70/30/93/1318703093.db2.gz CHQXAVOBDQWZEC-DNVCBOLYSA-N 0 3 325.408 3.198 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](c3ccccc3)C1)[C@H](O)CO2 ZINC000814224937 1318703100 /nfs/dbraw/zinc/70/31/00/1318703100.db2.gz CHQXAVOBDQWZEC-DNVCBOLYSA-N 0 3 325.408 3.198 20 10 EGCDHN CC[S@@](=O)CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815579665 1319019478 /nfs/dbraw/zinc/01/94/78/1319019478.db2.gz SCJZWNWUDMIPPT-FDDCHVKYSA-N 0 3 331.481 3.424 20 10 EGCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CCCn1cncn1 ZINC000815604951 1319025370 /nfs/dbraw/zinc/02/53/70/1319025370.db2.gz GQZSLCSEEKDNOG-IBGZPJMESA-N 0 3 336.439 3.338 20 10 EGCDHN C[C@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccc(N2CCOC2=O)cc1 ZINC000816625554 1319197383 /nfs/dbraw/zinc/19/73/83/1319197383.db2.gz HNLKNTWRSABMIL-LBPRGKRZSA-N 0 3 330.359 3.339 20 10 EGCDHN C[N@@H+]1CCC[C@@]2(CCN(Cc3cccc(Br)c3[O-])C2)C1 ZINC000816642135 1319198311 /nfs/dbraw/zinc/19/83/11/1319198311.db2.gz QIFMBHICPFEYCC-MRXNPFEDSA-N 0 3 339.277 3.072 20 10 EGCDHN C[N@H+]1CCC[C@@]2(CCN(Cc3cccc(Br)c3[O-])C2)C1 ZINC000816642135 1319198319 /nfs/dbraw/zinc/19/83/19/1319198319.db2.gz QIFMBHICPFEYCC-MRXNPFEDSA-N 0 3 339.277 3.072 20 10 EGCDHN CN1CCC[C@@]2(CC[N@H+](Cc3cccc(Br)c3[O-])C2)C1 ZINC000816642135 1319198324 /nfs/dbraw/zinc/19/83/24/1319198324.db2.gz QIFMBHICPFEYCC-MRXNPFEDSA-N 0 3 339.277 3.072 20 10 EGCDHN CN1CCC[C@@]2(CC[N@@H+](Cc3cccc(Br)c3[O-])C2)C1 ZINC000816642135 1319198328 /nfs/dbraw/zinc/19/83/28/1319198328.db2.gz QIFMBHICPFEYCC-MRXNPFEDSA-N 0 3 339.277 3.072 20 10 EGCDHN CC1(C)CN(Cc2cc(-c3ccccc3)ccc2O)C[C@@H](CO)O1 ZINC000817412095 1319351247 /nfs/dbraw/zinc/35/12/47/1319351247.db2.gz CWULFAXSVXBZLK-SFHVURJKSA-N 0 3 327.424 3.031 20 10 EGCDHN CC(C)(C)N1CC[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000822129953 1320056515 /nfs/dbraw/zinc/05/65/15/1320056515.db2.gz YWGDLQKQESDBLH-CYBMUJFWSA-N 0 3 327.266 3.117 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)c1[O-] ZINC000824721912 1320280440 /nfs/dbraw/zinc/28/04/40/1320280440.db2.gz KVHKCTWNETVSMP-RBSFLKMASA-N 0 3 325.836 3.180 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)c1[O-] ZINC000824721912 1320280445 /nfs/dbraw/zinc/28/04/45/1320280445.db2.gz KVHKCTWNETVSMP-RBSFLKMASA-N 0 3 325.836 3.180 20 10 EGCDHN CCN1C[C@H](NCc2ccc(N(C)Cc3cccs3)cc2)CC1=O ZINC000824893583 1320293971 /nfs/dbraw/zinc/29/39/71/1320293971.db2.gz WHPJQFLJDQWDQJ-MRXNPFEDSA-N 0 3 343.496 3.095 20 10 EGCDHN O=C1OCCN1[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000826994610 1320419099 /nfs/dbraw/zinc/41/90/99/1320419099.db2.gz LSWGAMBHYNRFBI-GOSISDBHSA-N 0 3 338.407 3.086 20 10 EGCDHN O=C1OCCN1[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000826994610 1320419101 /nfs/dbraw/zinc/41/91/01/1320419101.db2.gz LSWGAMBHYNRFBI-GOSISDBHSA-N 0 3 338.407 3.086 20 10 EGCDHN CCCN(CC(=O)N(C)C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC000827473371 1320455683 /nfs/dbraw/zinc/45/56/83/1320455683.db2.gz QGCCGTILTDJXFV-UHFFFAOYSA-N 0 3 331.504 3.286 20 10 EGCDHN CC[C@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccncc1 ZINC000840758139 1321142701 /nfs/dbraw/zinc/14/27/01/1321142701.db2.gz NIHHMXQRKVWMGL-SFHVURJKSA-N 0 3 347.409 3.437 20 10 EGCDHN Cc1cc(Br)c([O-])c(CN2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000843052536 1321462374 /nfs/dbraw/zinc/46/23/74/1321462374.db2.gz VNABLLHUOSFTPM-NEPJUHHUSA-N 0 3 327.266 3.022 20 10 EGCDHN CCCN(C(=O)c1cc(C)n(-c2ccccn2)c1C)[C@H]1CCN(C)C1 ZINC000843991446 1321564734 /nfs/dbraw/zinc/56/47/34/1321564734.db2.gz KAEUYCAFHXYRPZ-KRWDZBQOSA-N 0 3 340.471 3.045 20 10 EGCDHN O=C1C[C@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CN1C1CC1 ZINC000846076007 1321767269 /nfs/dbraw/zinc/76/72/69/1321767269.db2.gz ZGYIMZASQAEFLF-OAHLLOKOSA-N 0 3 336.435 3.160 20 10 EGCDHN OC1CCN(c2ccc(CNCc3nccc4ccccc43)cc2)CC1 ZINC000850405733 1322240194 /nfs/dbraw/zinc/24/01/94/1322240194.db2.gz BGMREDZDDKMXNF-UHFFFAOYSA-N 0 3 347.462 3.486 20 10 EGCDHN CCOc1ccc(C[NH2+]C[C@H](O)c2cc(F)c(F)c(F)c2)c([O-])c1 ZINC000850418993 1322244206 /nfs/dbraw/zinc/24/42/06/1322244206.db2.gz SCOOXGWXLGTYLH-INIZCTEOSA-N 0 3 341.329 3.031 20 10 EGCDHN OC1CCN(c2ccc(CN[C@@H]3CCCc4occc43)cc2)CC1 ZINC000850568413 1322269749 /nfs/dbraw/zinc/26/97/49/1322269749.db2.gz XBEZJIUEFVDKTO-LJQANCHMSA-N 0 3 326.440 3.408 20 10 EGCDHN COc1cc(CNCc2ccc3c(c2)CCCO3)cc(OC)c1OC ZINC000921496070 1322329525 /nfs/dbraw/zinc/32/95/25/1322329525.db2.gz MQSLZXIZTQQTMM-UHFFFAOYSA-N 0 3 343.423 3.327 20 10 EGCDHN COC(=O)[C@@H](C)Oc1ccccc1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000922328962 1322502809 /nfs/dbraw/zinc/50/28/09/1322502809.db2.gz KHNQXJMVOJVRQC-ZIAGYGMSSA-N 0 3 329.396 3.183 20 10 EGCDHN OC1CCN(c2ccc(CN[C@@H](c3ccccn3)C3CC3)cc2)CC1 ZINC000922581102 1322562812 /nfs/dbraw/zinc/56/28/12/1322562812.db2.gz HSDSPOMEFCOFFY-OAQYLSRUSA-N 0 3 337.467 3.284 20 10 EGCDHN [O-]c1ccc(Cl)c(F)c1CNC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000853092583 1323277630 /nfs/dbraw/zinc/27/76/30/1323277630.db2.gz BWFDVFMKOTYKOI-ZDUSSCGKSA-N 0 3 326.843 3.396 20 10 EGCDHN [O-]c1ccc(Cl)c(F)c1CNC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853092583 1323277638 /nfs/dbraw/zinc/27/76/38/1323277638.db2.gz BWFDVFMKOTYKOI-ZDUSSCGKSA-N 0 3 326.843 3.396 20 10 EGCDHN C[N@H+](Cc1ccc(OCc2ccccc2)cc1[O-])CC1(C)COC1 ZINC000862478112 1329489517 /nfs/dbraw/zinc/48/95/17/1329489517.db2.gz XTWDXEBOMUNWSF-UHFFFAOYSA-N 0 3 327.424 3.440 20 10 EGCDHN C[N@@H+](Cc1ccc(OCc2ccccc2)cc1[O-])CC1(C)COC1 ZINC000862478112 1329489519 /nfs/dbraw/zinc/48/95/19/1329489519.db2.gz XTWDXEBOMUNWSF-UHFFFAOYSA-N 0 3 327.424 3.440 20 10 EGCDHN OC1CCN(c2ccc(CN[C@H]3CCCc4ncccc43)cc2)CC1 ZINC000866391807 1330105745 /nfs/dbraw/zinc/10/57/45/1330105745.db2.gz QAUKFQGQRRQADT-NRFANRHFSA-N 0 3 337.467 3.210 20 10 EGCDHN OC1CCN(c2ccc(CN[C@@H]3CCCc4ncccc43)cc2)CC1 ZINC000866391808 1330105781 /nfs/dbraw/zinc/10/57/81/1330105781.db2.gz QAUKFQGQRRQADT-OAQYLSRUSA-N 0 3 337.467 3.210 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccnc(N3CCSCC3)c2)c([O-])c1 ZINC000866473979 1330116760 /nfs/dbraw/zinc/11/67/60/1330116760.db2.gz JHCJYVHVRDAMTP-OAHLLOKOSA-N 0 3 343.496 3.500 20 10 EGCDHN [O-]c1cccc(Br)c1CN1CCCCC12CC[NH2+]CC2 ZINC001235189605 1376856630 /nfs/dbraw/zinc/85/66/30/1376856630.db2.gz NJSZWEIOVOYFGV-UHFFFAOYSA-N 0 3 339.277 3.263 20 10 EGCDHN C[C@@H](c1ccncc1)N(C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001323844448 1387471770 /nfs/dbraw/zinc/47/17/70/1387471770.db2.gz KBJLZPNZPTUFPB-INIZCTEOSA-N 0 3 342.462 3.166 20 10 EGCDHN COC(=O)c1ccc(OC2CC[NH+](Cc3ccccc3[O-])CC2)cc1 ZINC001203555871 1370168209 /nfs/dbraw/zinc/16/82/09/1370168209.db2.gz IBNJKWCFQGZYHN-UHFFFAOYSA-N 0 3 341.407 3.222 20 10 EGCDHN [O-]c1ccccc1C[NH+]1CCC(Oc2ncnc3ccccc32)CC1 ZINC001203561289 1370169877 /nfs/dbraw/zinc/16/98/77/1370169877.db2.gz PGFHMIILFWYULR-UHFFFAOYSA-N 0 3 335.407 3.379 20 10 EGCDHN CCOc1cccc(CN2CC[C@H](N3CCCCC3)[C@@H](F)C2)c1O ZINC001203617113 1370189245 /nfs/dbraw/zinc/18/92/45/1370189245.db2.gz HOPSSKLJXGUWMH-IRXDYDNUSA-N 0 3 336.451 3.189 20 10 EGCDHN CCCc1noc(C2CC[NH+](Cc3ccc(OC)cc3[O-])CC2)n1 ZINC001203629170 1370193035 /nfs/dbraw/zinc/19/30/35/1370193035.db2.gz RRVUXHYFTZMXFR-UHFFFAOYSA-N 0 3 331.416 3.116 20 10 EGCDHN COc1ccc(C[N@@H+]2CC[C@H](Oc3ccccc3OC)C2)c([O-])c1 ZINC001203629323 1370193274 /nfs/dbraw/zinc/19/32/74/1370193274.db2.gz WDMNJNYAGKOFOQ-INIZCTEOSA-N 0 3 329.396 3.063 20 10 EGCDHN COc1ccc(C[N@H+]2CC[C@H](Oc3ccccc3OC)C2)c([O-])c1 ZINC001203629323 1370193277 /nfs/dbraw/zinc/19/32/77/1370193277.db2.gz WDMNJNYAGKOFOQ-INIZCTEOSA-N 0 3 329.396 3.063 20 10 EGCDHN COc1ccc(C[NH+]2CCC3(COc4ccccc43)CC2)c([O-])c1 ZINC001203634343 1370195381 /nfs/dbraw/zinc/19/53/81/1370195381.db2.gz AFINTZLDNCTYQU-UHFFFAOYSA-N 0 3 325.408 3.327 20 10 EGCDHN C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(Cc2ccc(N(C)C)cc2)C1 ZINC001203937683 1370321970 /nfs/dbraw/zinc/32/19/70/1370321970.db2.gz LOPCJRBKUBSTMD-DOTOQJQBSA-N 0 3 347.503 3.488 20 10 EGCDHN CCN(CC)c1ccc(CN2CC[C@H](Oc3nccnc3C)C2)cc1 ZINC001203946595 1370325152 /nfs/dbraw/zinc/32/51/52/1370325152.db2.gz XAMVILVWUKZSDC-IBGZPJMESA-N 0 3 340.471 3.285 20 10 EGCDHN CN(C)c1ccc(CN2CC[C@@](O)(C(F)(F)F)C2)c2ccccc21 ZINC001204233758 1370416924 /nfs/dbraw/zinc/41/69/24/1370416924.db2.gz VCHSANCZVKPCMP-KRWDZBQOSA-N 0 3 338.373 3.405 20 10 EGCDHN [O-]c1cc(O)ccc1C[NH+]1CCC2(CCc3ccccc3O2)CC1 ZINC001204280498 1370430144 /nfs/dbraw/zinc/43/01/44/1370430144.db2.gz KJHOQPZBAYOTHO-UHFFFAOYSA-N 0 3 325.408 3.458 20 10 EGCDHN c1cc(OC2CCN(Cc3ccc(N4CCCC4)cc3)CC2)ncn1 ZINC001204329274 1370445461 /nfs/dbraw/zinc/44/54/61/1370445461.db2.gz JQHDSDOKZIPSID-UHFFFAOYSA-N 0 3 338.455 3.120 20 10 EGCDHN COc1ccc(N2CCN(CCc3cccc(C)c3)CC2)c(OC)c1 ZINC001207537185 1371428904 /nfs/dbraw/zinc/42/89/04/1371428904.db2.gz XFGKXJKVDUWLRP-UHFFFAOYSA-N 0 3 340.467 3.377 20 10 EGCDHN Cc1cc([O-])c(CN2CC[C@]3(C2)CCCC[NH2+]3)cc1Br ZINC001222435026 1373844235 /nfs/dbraw/zinc/84/42/35/1373844235.db2.gz NZEFGASTRIUXDX-INIZCTEOSA-N 0 3 339.277 3.181 20 10 EGCDHN Cc1ccnc(O[C@H]2CCC[N@H+](Cc3cc(Cl)c(C)cc3[O-])C2)n1 ZINC001231871450 1376333585 /nfs/dbraw/zinc/33/35/85/1376333585.db2.gz KVDWWTWRKSNVDW-HNNXBMFYSA-N 0 3 347.846 3.496 20 10 EGCDHN Cc1ccnc(O[C@H]2CCC[N@@H+](Cc3cc(Cl)c(C)cc3[O-])C2)n1 ZINC001231871450 1376333590 /nfs/dbraw/zinc/33/35/90/1376333590.db2.gz KVDWWTWRKSNVDW-HNNXBMFYSA-N 0 3 347.846 3.496 20 10 EGCDHN COc1ccccc1S[C@@H]1CCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233487281 1376653255 /nfs/dbraw/zinc/65/32/55/1376653255.db2.gz XLLVRXPCFVPLEN-CYBMUJFWSA-N 0 3 347.436 3.179 20 10 EGCDHN [O-]c1c(C[N@@H+]2CC[C@]3(C2)CCCCO3)cccc1OC(F)(F)F ZINC001233737150 1376706431 /nfs/dbraw/zinc/70/64/31/1376706431.db2.gz XIJQGRNGGMNWCP-HNNXBMFYSA-N 0 3 331.334 3.436 20 10 EGCDHN [O-]c1c(C[N@H+]2CC[C@]3(C2)CCCCO3)cccc1OC(F)(F)F ZINC001233737150 1376706442 /nfs/dbraw/zinc/70/64/42/1376706442.db2.gz XIJQGRNGGMNWCP-HNNXBMFYSA-N 0 3 331.334 3.436 20 10 EGCDHN CCOC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1ccc(C(C)C)cc1[O-])C2 ZINC001237052669 1376971464 /nfs/dbraw/zinc/97/14/64/1376971464.db2.gz XYKCPAVRVVGFDQ-UYAOXDASSA-N 0 3 347.455 3.060 20 10 EGCDHN CCOC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](Cc1ccc(C(C)C)cc1[O-])C2 ZINC001237052669 1376971467 /nfs/dbraw/zinc/97/14/67/1376971467.db2.gz XYKCPAVRVVGFDQ-UYAOXDASSA-N 0 3 347.455 3.060 20 10 EGCDHN CC(C)c1ccc(CN2CCN(CCc3ccncc3)CC2)c(O)c1 ZINC001237053305 1376972598 /nfs/dbraw/zinc/97/25/98/1376972598.db2.gz IMWRXMIFUBVUJN-UHFFFAOYSA-N 0 3 339.483 3.271 20 10 EGCDHN Oc1ccc(C(F)(F)F)cc1CN1CC[C@H](Oc2ccncc2)C1 ZINC001237142306 1376976435 /nfs/dbraw/zinc/97/64/35/1376976435.db2.gz GVCKGZSFMJCKNI-HNNXBMFYSA-N 0 3 338.329 3.459 20 10 EGCDHN COc1cc(C[N@H+](C)Cc2c([O-])cccc2F)cc(OC)c1OC ZINC001137838661 1377626827 /nfs/dbraw/zinc/62/68/27/1377626827.db2.gz GKJFNYSKINELKE-UHFFFAOYSA-N 0 3 335.375 3.189 20 10 EGCDHN COc1cc(C[N@@H+](C)Cc2c([O-])cccc2F)cc(OC)c1OC ZINC001137838661 1377626828 /nfs/dbraw/zinc/62/68/28/1377626828.db2.gz GKJFNYSKINELKE-UHFFFAOYSA-N 0 3 335.375 3.189 20 10 EGCDHN CN(Cc1c([O-])cccc1F)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001137839081 1377627112 /nfs/dbraw/zinc/62/71/12/1377627112.db2.gz QMADFJCZAQGITO-QGZVFWFLSA-N 0 3 328.431 3.485 20 10 EGCDHN CN(Cc1c([O-])cccc1F)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001137839081 1377627114 /nfs/dbraw/zinc/62/71/14/1377627114.db2.gz QMADFJCZAQGITO-QGZVFWFLSA-N 0 3 328.431 3.485 20 10 EGCDHN CCOC(=O)c1[nH]c(C)c(CN2CCc3cccc(O)c3C2)c1C ZINC001138139950 1377684197 /nfs/dbraw/zinc/68/41/97/1377684197.db2.gz SUMUMGQESVBXFF-UHFFFAOYSA-N 0 3 328.412 3.072 20 10 EGCDHN CCOC(=O)c1[nH]c(C)c(C[N@@H+]2CCc3cccc([O-])c3C2)c1C ZINC001138139950 1377684199 /nfs/dbraw/zinc/68/41/99/1377684199.db2.gz SUMUMGQESVBXFF-UHFFFAOYSA-N 0 3 328.412 3.072 20 10 EGCDHN CCOC(=O)c1[nH]c(C)c(C[N@H+]2CCc3cccc([O-])c3C2)c1C ZINC001138139950 1377684204 /nfs/dbraw/zinc/68/42/04/1377684204.db2.gz SUMUMGQESVBXFF-UHFFFAOYSA-N 0 3 328.412 3.072 20 10 EGCDHN CCc1ncnc2c1CCN(Cc1c(C)n(C)c3ccccc31)CC2 ZINC001138255527 1377694943 /nfs/dbraw/zinc/69/49/43/1377694943.db2.gz KDUFCCVFPYRDGB-UHFFFAOYSA-N 0 3 334.467 3.440 20 10 EGCDHN C[C@@H]1CN(Cc2ccc3c(c2)CCCN3C)CC[C@@]1(O)C(F)(F)F ZINC001138354601 1377708858 /nfs/dbraw/zinc/70/88/58/1377708858.db2.gz PASYDHOVBLREKH-DYVFJYSZSA-N 0 3 342.405 3.204 20 10 EGCDHN Cc1cc(CN2CC[C@H](F)[C@](O)(C(F)(F)F)CC2)ccc1N(C)C ZINC001139669979 1377930651 /nfs/dbraw/zinc/93/06/51/1377930651.db2.gz STRSZUOENBXRDI-HOTGVXAUSA-N 0 3 348.384 3.288 20 10 EGCDHN COc1cccnc1O[C@H]1CCN(Cc2ccc(N(C)C)c(C)c2)C1 ZINC001139674014 1377931840 /nfs/dbraw/zinc/93/18/40/1377931840.db2.gz KPCDFVHHVLSFDE-KRWDZBQOSA-N 0 3 341.455 3.118 20 10 EGCDHN COC(=O)[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])[C@H]1c1ccccc1 ZINC001140056070 1377996913 /nfs/dbraw/zinc/99/69/13/1377996913.db2.gz GUBPCCGFDGZLRT-WMZOPIPTSA-N 0 3 329.371 3.268 20 10 EGCDHN COC(=O)[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])[C@H]1c1ccccc1 ZINC001140056070 1377996914 /nfs/dbraw/zinc/99/69/14/1377996914.db2.gz GUBPCCGFDGZLRT-WMZOPIPTSA-N 0 3 329.371 3.268 20 10 EGCDHN CCN1CCN(c2ccc(CN3CCC(F)(F)[C@H](F)C3)cc2)CC1 ZINC001140302572 1378042771 /nfs/dbraw/zinc/04/27/71/1378042771.db2.gz VBILOSYIQLXVCQ-QGZVFWFLSA-N 0 3 341.421 3.008 20 10 EGCDHN CCOc1cccc(N2CCN(Cc3ccc(O)c(C)c3O)CC2)c1 ZINC001140747640 1378128884 /nfs/dbraw/zinc/12/88/84/1378128884.db2.gz HEOYKSIXEYNPRF-UHFFFAOYSA-N 0 3 342.439 3.127 20 10 EGCDHN Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCN3Cc3nccs3)C2)c([O-])c1 ZINC001140950562 1378190420 /nfs/dbraw/zinc/19/04/20/1378190420.db2.gz YTFOCYHKJNCOOE-DOTOQJQBSA-N 0 3 343.496 3.254 20 10 EGCDHN Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCN3Cc3nccs3)C2)c([O-])c1 ZINC001140950562 1378190422 /nfs/dbraw/zinc/19/04/22/1378190422.db2.gz YTFOCYHKJNCOOE-DOTOQJQBSA-N 0 3 343.496 3.254 20 10 EGCDHN COc1cc([O-])c(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)c(OC)c1 ZINC001141028395 1378212642 /nfs/dbraw/zinc/21/26/42/1378212642.db2.gz MXMPSLILICDZRB-HNNXBMFYSA-N 0 3 329.396 3.063 20 10 EGCDHN COc1cc([O-])c(C[N@H+]2CC[C@H](Oc3ccccc3)C2)c(OC)c1 ZINC001141028395 1378212645 /nfs/dbraw/zinc/21/26/45/1378212645.db2.gz MXMPSLILICDZRB-HNNXBMFYSA-N 0 3 329.396 3.063 20 10 EGCDHN Oc1cc(O)c(CN2CCSC[C@@H]2c2ccc(F)cc2)c(O)c1 ZINC001144514571 1378739554 /nfs/dbraw/zinc/73/95/54/1378739554.db2.gz KYGUKXLPVTZBQL-OAHLLOKOSA-N 0 3 335.400 3.233 20 10 EGCDHN CN(C)c1ccc(CN(C)c2cc(Cl)nc3c2CCNC3)cc1 ZINC001156920708 1380727733 /nfs/dbraw/zinc/72/77/33/1380727733.db2.gz JFQUDNBZYCIXND-UHFFFAOYSA-N 0 3 330.863 3.083 20 10 EGCDHN CN1CCN(c2ccc(CNc3ncccc3-n3cccc3)cc2)CC1 ZINC001167426216 1383631326 /nfs/dbraw/zinc/63/13/26/1383631326.db2.gz CBKAWBRIFMQFSU-UHFFFAOYSA-N 0 3 347.466 3.236 20 10 EGCDHN CN(C)C[C@H](NC(=O)NCc1ccc(N)cc1)c1ccc(Cl)cc1 ZINC001335738172 1388915498 /nfs/dbraw/zinc/91/54/98/1388915498.db2.gz WWPZMYGKXNUPGU-KRWDZBQOSA-N 0 3 346.862 3.024 20 10 EGCDHN COc1ccc(CNC/C=C\CNC(=O)c2sccc2F)cc1C ZINC001754133626 1440543757 /nfs/dbraw/zinc/54/37/57/1440543757.db2.gz ZOYZCPDKIQFWFL-ARJAWSKDSA-N 0 3 348.443 3.280 20 10 EGCDHN CC[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(C(=O)[O-])cc1 ZINC001595289344 980378721 /nfs/dbraw/zinc/37/87/21/980378721.db2.gz JMLRJZLPNIFVQH-MOPGFXCFSA-N 0 3 341.455 3.192 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c1[O-] ZINC000184710087 455434696 /nfs/dbraw/zinc/43/46/96/455434696.db2.gz PEWLMCBDRSTFMU-CZUORRHYSA-N 0 3 343.876 3.199 20 10 EGCDHN Cc1cc([O-])c(C[NH+]2CCC(C(=O)N3CCC(C)CC3)CC2)cc1C ZINC000092144870 454528017 /nfs/dbraw/zinc/52/80/17/454528017.db2.gz VFMGXRYTGONUCS-UHFFFAOYSA-N 0 3 344.499 3.480 20 10 EGCDHN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccc([S@@](C)=O)cc1 ZINC000122457280 454535434 /nfs/dbraw/zinc/53/54/34/454535434.db2.gz IFNDGVHDXKFRHI-NPMABZOXSA-N 0 3 334.460 3.480 20 10 EGCDHN C[C@H](NC[C@H](O)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000153793953 454834160 /nfs/dbraw/zinc/83/41/60/454834160.db2.gz TUHUGFANEJBYOB-YWZLYKJASA-N 0 3 344.430 3.047 20 10 EGCDHN CC[C@H](COC)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000163413811 454845900 /nfs/dbraw/zinc/84/59/00/454845900.db2.gz JAGMTDFPRHGPFF-CQSZACIVSA-N 0 3 346.393 3.057 20 10 EGCDHN C[C@H](CNC(=O)N(C)Cc1ccccc1O)N(C)Cc1ccccc1 ZINC000111875719 454877657 /nfs/dbraw/zinc/87/76/57/454877657.db2.gz PGNBLGYJESICEU-MRXNPFEDSA-N 0 3 341.455 3.054 20 10 EGCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+]Cc2ccncc2)C1 ZINC000113359303 454924892 /nfs/dbraw/zinc/92/48/92/454924892.db2.gz REIWMWNNLTUQLR-KRWDZBQOSA-N 0 3 331.847 3.195 20 10 EGCDHN C[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000151072518 454933248 /nfs/dbraw/zinc/93/32/48/454933248.db2.gz SHBDLGMTSABIOC-HNNXBMFYSA-N 0 3 341.411 3.282 20 10 EGCDHN COc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])c(OC)c1OC ZINC000185067425 455494952 /nfs/dbraw/zinc/49/49/52/455494952.db2.gz XMNILFFLSOCPGQ-NSHDSACASA-N 0 3 335.375 3.408 20 10 EGCDHN CC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1[O-] ZINC000155273948 454981445 /nfs/dbraw/zinc/98/14/45/454981445.db2.gz YFQUQOOKFIHNEY-LJQANCHMSA-N 0 3 326.440 3.470 20 10 EGCDHN CCN1CCN(c2ccc(CN[C@@H](C)c3cncs3)cc2F)CC1 ZINC000155275741 454982328 /nfs/dbraw/zinc/98/23/28/454982328.db2.gz NCXQLAKPCXPFDV-AWEZNQCLSA-N 0 3 348.491 3.275 20 10 EGCDHN CCS(=O)(=O)c1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000179948644 455103893 /nfs/dbraw/zinc/10/38/93/455103893.db2.gz LDXDMQZXOZHUDG-OAHLLOKOSA-N 0 3 346.496 3.397 20 10 EGCDHN Cc1ccc(C(=O)NC2CC[NH+](Cc3cc(F)ccc3[O-])CC2)s1 ZINC000180013983 455116622 /nfs/dbraw/zinc/11/66/22/455116622.db2.gz WTHBOLMHHFKZLJ-UHFFFAOYSA-N 0 3 348.443 3.296 20 10 EGCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@H](COCc3ccccc3)C2)c1 ZINC000180472083 455176318 /nfs/dbraw/zinc/17/63/18/455176318.db2.gz LDRAJEJURKBZEW-KRWDZBQOSA-N 0 3 327.424 3.440 20 10 EGCDHN COc1ccc([O-])c(C[N@H+]2CC[C@H](COCc3ccccc3)C2)c1 ZINC000180472083 455176323 /nfs/dbraw/zinc/17/63/23/455176323.db2.gz LDRAJEJURKBZEW-KRWDZBQOSA-N 0 3 327.424 3.440 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@H]1CCCC[C@@H]1O ZINC000190264130 455291108 /nfs/dbraw/zinc/29/11/08/455291108.db2.gz MRODMMLFMLMEBC-OALUTQOASA-N 0 3 327.424 3.364 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](COCc3ccccc3)C1)OCO2 ZINC000172970602 455214877 /nfs/dbraw/zinc/21/48/77/455214877.db2.gz RTSKCGBBOOQYLX-MRXNPFEDSA-N 0 3 341.407 3.160 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](COCc3ccccc3)C1)OCO2 ZINC000172970602 455214878 /nfs/dbraw/zinc/21/48/78/455214878.db2.gz RTSKCGBBOOQYLX-MRXNPFEDSA-N 0 3 341.407 3.160 20 10 EGCDHN CC[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)c1ccccc1[O-] ZINC000183331702 455279041 /nfs/dbraw/zinc/27/90/41/455279041.db2.gz ZOGJTFOXGRGVSR-HZPDHXFCSA-N 0 3 328.387 3.378 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](c2cccs2)N2CCOCC2)c([O-])c1 ZINC000184853171 455461101 /nfs/dbraw/zinc/46/11/01/455461101.db2.gz OFXIINAXMMWWLF-RDJZCZTQSA-N 0 3 346.496 3.486 20 10 EGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]Cc2cccc(CS(C)(=O)=O)c2)c1 ZINC000185263168 455530550 /nfs/dbraw/zinc/53/05/50/455530550.db2.gz XGBXSRSSCSEJIR-AWEZNQCLSA-N 0 3 333.453 3.096 20 10 EGCDHN Cc1ccc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000161277415 455554711 /nfs/dbraw/zinc/55/47/11/455554711.db2.gz LYIMUAMUGFVSSV-HNNXBMFYSA-N 0 3 329.419 3.217 20 10 EGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCc2cccc(C(=O)N(C)C)c2)c1 ZINC000185547083 455576095 /nfs/dbraw/zinc/57/60/95/455576095.db2.gz JWOQAMBUNOZTED-HNNXBMFYSA-N 0 3 326.440 3.296 20 10 EGCDHN COc1ccc([C@H](CN(C)C)NCc2ccc(N(C)C)cc2)cc1 ZINC000283932818 455612855 /nfs/dbraw/zinc/61/28/55/455612855.db2.gz JFVHKBOMIPOUAW-FQEVSTJZSA-N 0 3 327.472 3.154 20 10 EGCDHN C[C@@H]([NH2+]CCc1cccc(C(N)=O)c1)c1cc2c(cc1[O-])CCCC2 ZINC000185983695 455668992 /nfs/dbraw/zinc/66/89/92/455668992.db2.gz COKPQCQCYOJPCK-CQSZACIVSA-N 0 3 338.451 3.263 20 10 EGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCNC(=O)c2c(F)cccc2F)c1 ZINC000186024643 455678815 /nfs/dbraw/zinc/67/88/15/455678815.db2.gz GKHBVWKDMMZHEN-GFCCVEGCSA-N 0 3 334.366 3.059 20 10 EGCDHN CCOc1ccc(NC(=O)CN[C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000271661331 455714794 /nfs/dbraw/zinc/71/47/94/455714794.db2.gz DLVIZTJWIMOWEG-ZDUSSCGKSA-N 0 3 344.411 3.089 20 10 EGCDHN Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCCN(c3ccnn3C)C2)c([O-])c1 ZINC000284960493 455768302 /nfs/dbraw/zinc/76/83/02/455768302.db2.gz FKZOVSHZLAJMAG-JKSUJKDBSA-N 0 3 328.460 3.062 20 10 EGCDHN CCOc1cccc(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c1[O-] ZINC000186449096 455771013 /nfs/dbraw/zinc/77/10/13/455771013.db2.gz BRVFXJMHGDTWOB-FQEVSTJZSA-N 0 3 325.408 3.422 20 10 EGCDHN CCOc1cccc(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c1[O-] ZINC000186449096 455771017 /nfs/dbraw/zinc/77/10/17/455771017.db2.gz BRVFXJMHGDTWOB-FQEVSTJZSA-N 0 3 325.408 3.422 20 10 EGCDHN Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccccc2Cn2cncn2)c([O-])c1 ZINC000293579448 455791535 /nfs/dbraw/zinc/79/15/35/455791535.db2.gz DUNFOTQKCXDKDQ-MRXNPFEDSA-N 0 3 336.439 3.500 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]Cc2cccc(N3CCOCC3)c2)c([O-])c1 ZINC000293756779 455795437 /nfs/dbraw/zinc/79/54/37/455795437.db2.gz QWLYLBOGHXHRNW-INIZCTEOSA-N 0 3 326.440 3.388 20 10 EGCDHN CN(C)c1ccc(CN2CCC(Oc3ncccc3F)CC2)cc1 ZINC000278259567 455800578 /nfs/dbraw/zinc/80/05/78/455800578.db2.gz NNWUUBLTTOVFAS-UHFFFAOYSA-N 0 3 329.419 3.330 20 10 EGCDHN CNC(=O)C(C)(C)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000294687159 455823426 /nfs/dbraw/zinc/82/34/26/455823426.db2.gz ILJLBYRJUFHVTD-SFHVURJKSA-N 0 3 340.467 3.428 20 10 EGCDHN COc1c([O-])c(CNc2cc(C[NH+](C)C)ccc2C)ccc1[N+](=O)[O-] ZINC000278891860 455851021 /nfs/dbraw/zinc/85/10/21/455851021.db2.gz PQVHZFRVGPWYAH-UHFFFAOYSA-N 0 3 345.399 3.291 20 10 EGCDHN CCn1nccc1C1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000279463303 455865416 /nfs/dbraw/zinc/86/54/16/455865416.db2.gz RGONBIGRAVBHOD-UHFFFAOYSA-N 0 3 330.451 3.488 20 10 EGCDHN COc1cc(OC)c(OC)cc1CN[C@@H]1CCc2cccc(O)c21 ZINC000296036804 455867457 /nfs/dbraw/zinc/86/74/57/455867457.db2.gz QKOOBIMVCOUSMX-CQSZACIVSA-N 0 3 329.396 3.195 20 10 EGCDHN C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc(O)c1 ZINC000194863023 455893134 /nfs/dbraw/zinc/89/31/34/455893134.db2.gz QUQSPWSUGCGTIM-MRXNPFEDSA-N 0 3 340.467 3.452 20 10 EGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)CC2 ZINC000296425159 455935264 /nfs/dbraw/zinc/93/52/64/455935264.db2.gz LQMYYBGGPGSTQX-GDBMZVCRSA-N 0 3 348.240 3.465 20 10 EGCDHN C[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C[C@]2(CCOC2)O1 ZINC000280325439 455947476 /nfs/dbraw/zinc/94/74/76/455947476.db2.gz QSDNKZOIUNKZAI-IERDGZPVSA-N 0 3 339.435 3.439 20 10 EGCDHN C[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C[C@]2(CCOC2)O1 ZINC000280325439 455947479 /nfs/dbraw/zinc/94/74/79/455947479.db2.gz QSDNKZOIUNKZAI-IERDGZPVSA-N 0 3 339.435 3.439 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC2=CCCOC2)c1[O-] ZINC000286937972 456057316 /nfs/dbraw/zinc/05/73/16/456057316.db2.gz GSCFNZFCPDQYLT-NSHDSACASA-N 0 3 326.234 3.460 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]CCCn2cc(Br)cn2)c([O-])c1 ZINC000287183587 456063839 /nfs/dbraw/zinc/06/38/39/456063839.db2.gz CTMNBRAYRONVLL-LBPRGKRZSA-N 0 3 338.249 3.401 20 10 EGCDHN CCCOc1cc(CNCc2cccc(OC)c2O)ccc1OC ZINC000289452558 456126345 /nfs/dbraw/zinc/12/63/45/456126345.db2.gz NJCMYXLLPDNUCK-UHFFFAOYSA-N 0 3 331.412 3.488 20 10 EGCDHN CCOc1cccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1[O-] ZINC000289686586 456136533 /nfs/dbraw/zinc/13/65/33/456136533.db2.gz ZXYHGQMUEBXBJX-UHFFFAOYSA-N 0 3 330.384 3.374 20 10 EGCDHN CCOc1cccc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1[O-] ZINC000289686586 456136537 /nfs/dbraw/zinc/13/65/37/456136537.db2.gz ZXYHGQMUEBXBJX-UHFFFAOYSA-N 0 3 330.384 3.374 20 10 EGCDHN COc1cccc(C[NH2+]CCCCC(=O)OCc2ccccc2)c1[O-] ZINC000273175217 456201171 /nfs/dbraw/zinc/20/11/71/456201171.db2.gz KZSWGPDLADGTPP-UHFFFAOYSA-N 0 3 343.423 3.404 20 10 EGCDHN CC[C@@]1(C[NH2+]Cc2cccc(OC)c2[O-])OCCc2ccccc21 ZINC000289996003 456210603 /nfs/dbraw/zinc/21/06/03/456210603.db2.gz XVUOZADJGXJCTH-FQEVSTJZSA-N 0 3 327.424 3.369 20 10 EGCDHN CCOc1cccc(C[NH2+][C@H](C)c2ccc(NC(N)=O)cc2)c1[O-] ZINC000236961170 456210866 /nfs/dbraw/zinc/21/08/66/456210866.db2.gz TTXSGQLOEZODSF-GFCCVEGCSA-N 0 3 329.400 3.132 20 10 EGCDHN CCOc1cccc(CN[C@H](C)c2ccc(NC(N)=O)cc2)c1O ZINC000236961170 456210875 /nfs/dbraw/zinc/21/08/75/456210875.db2.gz TTXSGQLOEZODSF-GFCCVEGCSA-N 0 3 329.400 3.132 20 10 EGCDHN COc1cc(C[NH2+][C@H](C)c2ccc(C)c(C)c2[O-])ccc1OCCO ZINC000273299396 456222905 /nfs/dbraw/zinc/22/29/05/456222905.db2.gz BAAZAXHWTMYDCI-OAHLLOKOSA-N 0 3 345.439 3.240 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000273435198 456230778 /nfs/dbraw/zinc/23/07/78/456230778.db2.gz WUAIPJICESAHID-RDJZCZTQSA-N 0 3 326.440 3.326 20 10 EGCDHN COC(=O)COc1cccc(C[NH2+][C@H](C)c2ccc(C)c(C)c2[O-])c1 ZINC000273450765 456232095 /nfs/dbraw/zinc/23/20/95/456232095.db2.gz GAHZSNUSCLOGKG-OAHLLOKOSA-N 0 3 343.423 3.412 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCNC(=O)c2ccc(Cl)cc2)c1 ZINC000273595957 456241201 /nfs/dbraw/zinc/24/12/01/456241201.db2.gz QQEBMGVESKLTSV-LBPRGKRZSA-N 0 3 348.830 3.135 20 10 EGCDHN COc1ccsc1[C@@H](C)NCc1ccc(N2CCOCC2)cc1 ZINC000274404409 456257944 /nfs/dbraw/zinc/25/79/44/456257944.db2.gz BNOLOKAZJPWVPN-CQSZACIVSA-N 0 3 332.469 3.444 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)Cn2cccn2)c1[O-] ZINC000275332066 456273042 /nfs/dbraw/zinc/27/30/42/456273042.db2.gz NEMAHWNWCZPESL-VXGBXAGGSA-N 0 3 338.249 3.399 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+](C)[C@H]2CCN(C)C[C@@H]2C)c1[O-] ZINC000290320635 456290304 /nfs/dbraw/zinc/29/03/04/456290304.db2.gz CYHSZPVKBRXJQL-WFASDCNBSA-N 0 3 341.293 3.235 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+](C)[C@H]2CCN(C)C[C@@H]2C)c1[O-] ZINC000290320635 456290307 /nfs/dbraw/zinc/29/03/07/456290307.db2.gz CYHSZPVKBRXJQL-WFASDCNBSA-N 0 3 341.293 3.235 20 10 EGCDHN CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1ccc(OC)c(C)c1 ZINC000275729929 456298779 /nfs/dbraw/zinc/29/87/79/456298779.db2.gz ZSDJQHYKKMCJEM-WMZOPIPTSA-N 0 3 329.444 3.230 20 10 EGCDHN COc1ccc([O-])c(C[NH2+][C@H](C)CCCNC(=O)OC(C)(C)C)c1 ZINC000290827064 456440266 /nfs/dbraw/zinc/44/02/66/456440266.db2.gz XKBORRVWRBFPSI-CYBMUJFWSA-N 0 3 338.448 3.184 20 10 EGCDHN COCCOCc1ccc(C[NH2+]Cc2cc(C)c(C)cc2[O-])cc1 ZINC000291064892 456515896 /nfs/dbraw/zinc/51/58/96/456515896.db2.gz QEJLNYWRJYSEGK-UHFFFAOYSA-N 0 3 329.440 3.462 20 10 EGCDHN COc1ccc([O-])c(C[NH+]2CCC([C@@H](O)c3ccc(F)cc3)CC2)c1 ZINC000305782236 456558635 /nfs/dbraw/zinc/55/86/35/456558635.db2.gz VIWRDQRJOZZIQZ-FQEVSTJZSA-N 0 3 345.414 3.486 20 10 EGCDHN COc1ccc(O)c(CN2CCC([C@@H](O)c3ccc(F)cc3)CC2)c1 ZINC000305782236 456558641 /nfs/dbraw/zinc/55/86/41/456558641.db2.gz VIWRDQRJOZZIQZ-FQEVSTJZSA-N 0 3 345.414 3.486 20 10 EGCDHN COc1ccc([C@@H](O)C2CC[NH+](Cc3cc(F)ccc3[O-])CC2)cc1 ZINC000291299489 456596927 /nfs/dbraw/zinc/59/69/27/456596927.db2.gz QMBKHTGALDXGLX-HXUWFJFHSA-N 0 3 345.414 3.486 20 10 EGCDHN Cc1cccc(CNCc2ccc(S(C)(=O)=O)c(Cl)c2)c1O ZINC000277355472 456792108 /nfs/dbraw/zinc/79/21/08/456792108.db2.gz DPSXLHPUIXJSHW-UHFFFAOYSA-N 0 3 339.844 3.047 20 10 EGCDHN Cc1c2ccccc2n(C)c1CNCc1cnc2nc(C)cc(C)n12 ZINC000355123229 457343500 /nfs/dbraw/zinc/34/35/00/457343500.db2.gz NBUITLBZELGKCK-UHFFFAOYSA-N 0 3 333.439 3.436 20 10 EGCDHN COc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c([O-])c1 ZINC000374879232 457725821 /nfs/dbraw/zinc/72/58/21/457725821.db2.gz SGBBPYLXHYKQRU-VQIMIIECSA-N 0 3 340.467 3.401 20 10 EGCDHN CN(C)c1ccc(CN2CCCN(C(=O)CC3CCCC3)CC2)cc1 ZINC000372398671 458300796 /nfs/dbraw/zinc/30/07/96/458300796.db2.gz SJETVULNIZQMDK-UHFFFAOYSA-N 0 3 343.515 3.367 20 10 EGCDHN Cc1c2ccccc2n(C)c1CNC(=O)CCN(C)c1ccncc1 ZINC000525942079 459518498 /nfs/dbraw/zinc/51/84/98/459518498.db2.gz FZICPSLNAFOLEV-UHFFFAOYSA-N 0 3 336.439 3.024 20 10 EGCDHN CCOc1cccc(C[NH2+]C[C@@H](OC)c2cccc(OC)c2)c1[O-] ZINC000527739715 459721227 /nfs/dbraw/zinc/72/12/27/459721227.db2.gz SWEHTJYXWPJTQK-GOSISDBHSA-N 0 3 331.412 3.277 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(Cn3cccn3)cc2)c1 ZINC000184920164 547114557 /nfs/dbraw/zinc/11/45/57/547114557.db2.gz LPQJZGWJPWJKPH-OAHLLOKOSA-N 0 3 337.423 3.496 20 10 EGCDHN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000730773259 575018799 /nfs/dbraw/zinc/01/87/99/575018799.db2.gz ARCDCSQQJPTGCR-KRWDZBQOSA-N 0 3 337.467 3.369 20 10 EGCDHN CC[C@@H](C)[C@H](O)CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000732820277 575290160 /nfs/dbraw/zinc/29/01/60/575290160.db2.gz GSVPKTLKVUUXNE-RDTXWAMCSA-N 0 3 335.448 3.082 20 10 EGCDHN C[C@@H]1CCCN(C(=O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)C1 ZINC000733613892 575375270 /nfs/dbraw/zinc/37/52/70/575375270.db2.gz PFZQNNKDQAETPW-MRXNPFEDSA-N 0 3 330.472 3.395 20 10 EGCDHN C[C@@H]1CCCN(C(=O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)C1 ZINC000733613892 575375271 /nfs/dbraw/zinc/37/52/71/575375271.db2.gz PFZQNNKDQAETPW-MRXNPFEDSA-N 0 3 330.472 3.395 20 10 EGCDHN Cc1cc(O)c(CN[C@@H](CC(=O)N(C)C)c2ccccc2)cc1C ZINC000742367728 576774172 /nfs/dbraw/zinc/77/41/72/576774172.db2.gz GVOYZLPFDXLKRY-SFHVURJKSA-N 0 3 326.440 3.318 20 10 EGCDHN C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820412254 607085310 /nfs/dbraw/zinc/08/53/10/607085310.db2.gz LGFAHEUQVIINNI-UONOGXRCSA-N 0 3 336.443 3.345 20 10 EGCDHN C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820412254 607085311 /nfs/dbraw/zinc/08/53/11/607085311.db2.gz LGFAHEUQVIINNI-UONOGXRCSA-N 0 3 336.443 3.345 20 10 EGCDHN Cc1cccc(C[N@H+]2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1O ZINC000826298282 608590525 /nfs/dbraw/zinc/59/05/25/608590525.db2.gz LQQYWQQFYJEYTF-UHFFFAOYSA-N 0 3 347.422 3.170 20 10 EGCDHN Cc1cccc(C[N@@H+]2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1O ZINC000826298282 608590527 /nfs/dbraw/zinc/59/05/27/608590527.db2.gz LQQYWQQFYJEYTF-UHFFFAOYSA-N 0 3 347.422 3.170 20 10 EGCDHN Cc1ccc(C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)[C@@H]2n2cccn2)c([O-])c1 ZINC000877572303 1299407769 /nfs/dbraw/zinc/40/77/69/1299407769.db2.gz OMZRIUAQWUKOFO-KBAYOESNSA-N 0 3 329.444 3.184 20 10 EGCDHN CC(C)[C@@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000007255790 1291067365 /nfs/dbraw/zinc/06/73/65/1291067365.db2.gz ZZTYCXVJLOHRDD-OAQYLSRUSA-N 0 3 339.483 3.356 20 10 EGCDHN CCCN(CC(=O)NCc1ccc(C)cc1)Cc1ccccc1O ZINC000069009952 1292226704 /nfs/dbraw/zinc/22/67/04/1292226704.db2.gz KCCRBVANIACTGW-UHFFFAOYSA-N 0 3 326.440 3.229 20 10 EGCDHN CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000827751876 1292365266 /nfs/dbraw/zinc/36/52/66/1292365266.db2.gz XRGTWFMULLRGAL-WMLDXEAASA-N 0 3 341.835 3.266 20 10 EGCDHN CN(c1ccc(CNC(=O)[C@H](N)C2CCC2)cc1)C1CCCCC1 ZINC000827821412 1292381400 /nfs/dbraw/zinc/38/14/00/1292381400.db2.gz YHGYZRXEIYXYIB-LJQANCHMSA-N 0 3 329.488 3.199 20 10 EGCDHN CCC(CC)[C@@H](C[NH2+][C@H]1CCc2cccc([O-])c21)N1CCOCC1 ZINC000834502938 1293107329 /nfs/dbraw/zinc/10/73/29/1293107329.db2.gz USTQLXXVPLCSOH-ZWKOTPCHSA-N 0 3 332.488 3.106 20 10 EGCDHN CCN1C[C@H](N[C@@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1=O ZINC000834891906 1293165446 /nfs/dbraw/zinc/16/54/46/1293165446.db2.gz TUCSTMQDIJRMES-GOEBONIOSA-N 0 3 333.451 3.087 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](O)C2CCC2)c1[O-] ZINC000834904751 1293171186 /nfs/dbraw/zinc/17/11/86/1293171186.db2.gz CDOYUKNOJDVMND-QMTHXVAHSA-N 0 3 328.250 3.275 20 10 EGCDHN CCO[C@@H]1COC[C@H]1N[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000834903304 1293171318 /nfs/dbraw/zinc/17/13/18/1293171318.db2.gz HIBVSUYSRCKDPL-LSBZLQRGSA-N 0 3 336.451 3.271 20 10 EGCDHN NC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])C1 ZINC000834907313 1293172292 /nfs/dbraw/zinc/17/22/92/1293172292.db2.gz NRHZHLRKRDLLIT-AOIWGVFYSA-N 0 3 338.451 3.310 20 10 EGCDHN COc1ccc(CN2CCN(Cc3cc(C)ccc3O)CC2)cc1F ZINC000119921268 1293294406 /nfs/dbraw/zinc/29/44/06/1293294406.db2.gz PCRWIEPADDPAIQ-UHFFFAOYSA-N 0 3 344.430 3.166 20 10 EGCDHN CC(C)C[C@H](O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000122538432 1293416571 /nfs/dbraw/zinc/41/65/71/1293416571.db2.gz WIAPUWNVNYKLKJ-HOCLYGCPSA-N 0 3 340.895 3.234 20 10 EGCDHN CN(C)c1ccc(CN2CCC[C@H](CNC(=O)C(C)(C)C)C2)cc1F ZINC000123853282 1293457566 /nfs/dbraw/zinc/45/75/66/1293457566.db2.gz MMSAGPHKKNVWFS-MRXNPFEDSA-N 0 3 349.494 3.266 20 10 EGCDHN CCCN(CC(=O)Nc1ccc(OC)cc1)Cc1ccccc1O ZINC000130726770 1293666969 /nfs/dbraw/zinc/66/69/69/1293666969.db2.gz CXFLCQQPSGNAOJ-UHFFFAOYSA-N 0 3 328.412 3.252 20 10 EGCDHN C[C@@H](N[C@@H](C)c1cncc(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000155339344 1294093212 /nfs/dbraw/zinc/09/32/12/1294093212.db2.gz CSZUZSCKQNXYJE-CABCVRRESA-N 0 3 329.419 3.469 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC[C@@H](CNC(C)=O)C2)cc1F ZINC000155600192 1294106009 /nfs/dbraw/zinc/10/60/09/1294106009.db2.gz CJQYLERONPWYIX-KRWDZBQOSA-N 0 3 335.467 3.020 20 10 EGCDHN C[N@@H+]1CCC[C@@H]2CN(Cc3cccc(Br)c3[O-])CC[C@@H]21 ZINC000156093397 1294127721 /nfs/dbraw/zinc/12/77/21/1294127721.db2.gz MLYBDRGLZBETHT-DOMZBBRYSA-N 0 3 339.277 3.071 20 10 EGCDHN C[N@H+]1CCC[C@@H]2CN(Cc3cccc(Br)c3[O-])CC[C@@H]21 ZINC000156093397 1294127723 /nfs/dbraw/zinc/12/77/23/1294127723.db2.gz MLYBDRGLZBETHT-DOMZBBRYSA-N 0 3 339.277 3.071 20 10 EGCDHN CN(C)Cc1cccc(C(=O)NCCCSc2nccs2)c1 ZINC000156429168 1294143669 /nfs/dbraw/zinc/14/36/69/1294143669.db2.gz UUQONYIBISVPTC-UHFFFAOYSA-N 0 3 335.498 3.117 20 10 EGCDHN CCn1cc([C@H](C)NCc2ccc(N3CCSCC3)cc2)cn1 ZINC000163577141 1294335207 /nfs/dbraw/zinc/33/52/07/1294335207.db2.gz WJLQFGLAEULZMK-HNNXBMFYSA-N 0 3 330.501 3.307 20 10 EGCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000180698727 1294908849 /nfs/dbraw/zinc/90/88/49/1294908849.db2.gz NPOVASPIPBJZIO-OAHLLOKOSA-N 0 3 329.293 3.373 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2ccc(C)cc2C)c1 ZINC000182319865 1295036008 /nfs/dbraw/zinc/03/60/08/1295036008.db2.gz FULBQJPMZPEOBP-AWEZNQCLSA-N 0 3 328.412 3.307 20 10 EGCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2ccc(SC)cc2)c1 ZINC000182438094 1295047669 /nfs/dbraw/zinc/04/76/69/1295047669.db2.gz WIHMDHNUGFGRTJ-GFCCVEGCSA-N 0 3 346.452 3.412 20 10 EGCDHN CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183627726 1295135357 /nfs/dbraw/zinc/13/53/57/1295135357.db2.gz YSSNJAQYTIBLFI-LSDHHAIUSA-N 0 3 333.453 3.295 20 10 EGCDHN COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000872134278 1296759086 /nfs/dbraw/zinc/75/90/86/1296759086.db2.gz BMEJQTSMPGPUGD-ADYAMRHXSA-N 0 3 343.423 3.108 20 10 EGCDHN CC[C@H]1CN(Cc2cc(Br)cc(C)c2O)CCCO1 ZINC000311261273 1297105522 /nfs/dbraw/zinc/10/55/22/1297105522.db2.gz GLEQKIBXUFAFAM-AWEZNQCLSA-N 0 3 328.250 3.464 20 10 EGCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H](N)c1ccccc1 ZINC000324233345 1297207672 /nfs/dbraw/zinc/20/76/72/1297207672.db2.gz YEHVWIDWHZXAQS-LJQANCHMSA-N 0 3 325.456 3.191 20 10 EGCDHN COc1ccc(CNCc2cnc(C)cc2C)cc1Cn1cccn1 ZINC000873130065 1297287458 /nfs/dbraw/zinc/28/74/58/1297287458.db2.gz XLBGZYXAQXVZKR-UHFFFAOYSA-N 0 3 336.439 3.242 20 10 EGCDHN Cc1cc(Br)cc(CN2CCCOC(C)(C)C2)c1O ZINC000389436053 1297610001 /nfs/dbraw/zinc/61/00/01/1297610001.db2.gz RUZOXEJQWHQTSK-UHFFFAOYSA-N 0 3 328.250 3.464 20 10 EGCDHN C/C=C\C[C@H](CO)[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000588528768 1298079847 /nfs/dbraw/zinc/07/98/47/1298079847.db2.gz MSVZSCLJBJQJMM-FTGSRHIXSA-N 0 3 328.250 3.441 20 10 EGCDHN C[C@@H]([NH2+]C[C@@H](C)CNC(=O)OC(C)(C)C)c1cc(F)ccc1[O-] ZINC000697838145 1298165401 /nfs/dbraw/zinc/16/54/01/1298165401.db2.gz JWNOQLXOTWWKAL-VXGBXAGGSA-N 0 3 326.412 3.343 20 10 EGCDHN C[C@H](CN1CCCCC1)[NH2+]Cc1c([O-])cccc1Br ZINC000706875369 1298226633 /nfs/dbraw/zinc/22/66/33/1298226633.db2.gz WHZADUDZHITFRR-GFCCVEGCSA-N 0 3 327.266 3.119 20 10 EGCDHN COc1cc(Br)cc(C[NH2+][C@H](C)Cc2ccco2)c1[O-] ZINC000725843950 1298371947 /nfs/dbraw/zinc/37/19/47/1298371947.db2.gz IWHVUSDZVDKOKX-SNVBAGLBSA-N 0 3 340.217 3.477 20 10 EGCDHN NC(=O)c1ccc(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])cc1 ZINC000725841519 1298371967 /nfs/dbraw/zinc/37/19/67/1298371967.db2.gz LTYZKHULXIHKNQ-UHFFFAOYSA-N 0 3 332.403 3.448 20 10 EGCDHN C[C@@H]([NH2+]Cc1ccccc1[O-])C(=O)Nc1cccc(N2CCCC2)c1 ZINC000725852199 1298375922 /nfs/dbraw/zinc/37/59/22/1298375922.db2.gz USRNARDVTBZHTP-OAHLLOKOSA-N 0 3 339.439 3.109 20 10 EGCDHN Cc1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3F)CC2)c([O-])c1 ZINC000876929527 1299073003 /nfs/dbraw/zinc/07/30/03/1299073003.db2.gz ZYQSNJGMFKHCAX-UHFFFAOYSA-N 0 3 342.414 3.234 20 10 EGCDHN C[C@H](NCc1cccc(F)c1N)c1ccc(N2CCOCC2)cc1 ZINC000876987175 1299100587 /nfs/dbraw/zinc/10/05/87/1299100587.db2.gz RFNNNXGOPQAHET-AWEZNQCLSA-N 0 3 329.419 3.095 20 10 EGCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000877168262 1299190789 /nfs/dbraw/zinc/19/07/89/1299190789.db2.gz QTPDYNKFVGLPJF-HUUCEWRRSA-N 0 3 334.460 3.436 20 10 EGCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000877168262 1299190791 /nfs/dbraw/zinc/19/07/91/1299190791.db2.gz QTPDYNKFVGLPJF-HUUCEWRRSA-N 0 3 334.460 3.436 20 10 EGCDHN Oc1ccc2c(c1)[C@H](NCc1ccc(N3CCC(O)CC3)cc1)CC2 ZINC000877631918 1299443230 /nfs/dbraw/zinc/44/32/30/1299443230.db2.gz OGIPJIISSWSZJF-OAQYLSRUSA-N 0 3 338.451 3.130 20 10 EGCDHN Cc1nn(C)c2nc(Cl)c(CN[C@H](C)c3ccccc3O)cc12 ZINC000877756266 1299532101 /nfs/dbraw/zinc/53/21/01/1299532101.db2.gz DASVCWJBSAWQQU-SNVBAGLBSA-N 0 3 330.819 3.487 20 10 EGCDHN Cc1ccc([C@H](C)NCC(=O)NCc2ccc(N(C)C)cc2)s1 ZINC000754667033 1300187769 /nfs/dbraw/zinc/18/77/69/1300187769.db2.gz CJITVNIRRIISEK-AWEZNQCLSA-N 0 3 331.485 3.090 20 10 EGCDHN C[C@H]([NH2+]Cc1cccc(N2CCOC2=O)c1)c1cc(F)ccc1[O-] ZINC000756447386 1300493367 /nfs/dbraw/zinc/49/33/67/1300493367.db2.gz VMDITYVMWFIPEE-LBPRGKRZSA-N 0 3 330.359 3.339 20 10 EGCDHN C[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccccc2)c2c1c(F)ccc2[O-] ZINC000756455589 1300496158 /nfs/dbraw/zinc/49/61/58/1300496158.db2.gz KINBHMGRJQXRRJ-SWLSCSKDSA-N 0 3 349.427 3.143 20 10 EGCDHN C[C@H]1C[C@@H]([NH2+]CCC(=O)N2CCCCCC2)c2c1c(F)ccc2[O-] ZINC000756507585 1300510782 /nfs/dbraw/zinc/51/07/82/1300510782.db2.gz CVDVKLPCXQHYEG-DZGCQCFKSA-N 0 3 334.435 3.462 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3cncn3)cc2)c2c1c(F)ccc2[O-] ZINC000756545360 1300518762 /nfs/dbraw/zinc/51/87/62/1300518762.db2.gz LUHCHYBPTSTEAF-WBMJQRKESA-N 0 3 338.386 3.450 20 10 EGCDHN COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])cc1OC ZINC000879648155 1300648169 /nfs/dbraw/zinc/64/81/69/1300648169.db2.gz AIHMEGMDDXVTJJ-CHWSQXEVSA-N 0 3 344.411 3.087 20 10 EGCDHN COc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648786 1300648898 /nfs/dbraw/zinc/64/88/98/1300648898.db2.gz DULFPNIYSOTDOZ-KFWWJZLASA-N 0 3 342.439 3.317 20 10 EGCDHN C[C@@H]([NH2+][C@@H](C)C(=O)N1CCc2sccc2C1)c1ccccc1[O-] ZINC000879648767 1300649509 /nfs/dbraw/zinc/64/95/09/1300649509.db2.gz CUCUJBNBXIZRQH-OLZOCXBDSA-N 0 3 330.453 3.078 20 10 EGCDHN C[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccsc1 ZINC000765252840 1302229373 /nfs/dbraw/zinc/22/93/73/1302229373.db2.gz JFHMXFHAPPZQSU-ZBFHGGJFSA-N 0 3 343.496 3.301 20 10 EGCDHN CCOc1ccc(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)c([O-])c1 ZINC000768193159 1302850700 /nfs/dbraw/zinc/85/07/00/1302850700.db2.gz CGUOQKKCLOHUTM-UHFFFAOYSA-N 0 3 346.471 3.015 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCCC[C@@H]1Cc1ccccc1)[C@@H](O)CO2 ZINC000768445254 1302906950 /nfs/dbraw/zinc/90/69/50/1302906950.db2.gz RCMGJWCFPATAJA-XLIONFOSSA-N 0 3 339.435 3.415 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CCCC[C@@H]1Cc1ccccc1)[C@@H](O)CO2 ZINC000768445254 1302906957 /nfs/dbraw/zinc/90/69/57/1302906957.db2.gz RCMGJWCFPATAJA-XLIONFOSSA-N 0 3 339.435 3.415 20 10 EGCDHN CC(C)Oc1cccc(C[N@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)c1 ZINC000768465654 1302913217 /nfs/dbraw/zinc/91/32/17/1302913217.db2.gz OOSQELWYOBNCNJ-LJQANCHMSA-N 0 3 343.423 3.237 20 10 EGCDHN CC(C)Oc1cccc(C[N@@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)c1 ZINC000768465654 1302913225 /nfs/dbraw/zinc/91/32/25/1302913225.db2.gz OOSQELWYOBNCNJ-LJQANCHMSA-N 0 3 343.423 3.237 20 10 EGCDHN CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(OCC)cc2[O-])C1 ZINC000769007616 1303030815 /nfs/dbraw/zinc/03/08/15/1303030815.db2.gz VSMDXRVWVBGFBD-WBVHZDCISA-N 0 3 348.487 3.308 20 10 EGCDHN CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(OCC)cc2[O-])C1 ZINC000769007616 1303030819 /nfs/dbraw/zinc/03/08/19/1303030819.db2.gz VSMDXRVWVBGFBD-WBVHZDCISA-N 0 3 348.487 3.308 20 10 EGCDHN COCC[N@H+](CCCc1ccccc1)Cc1c([O-])cccc1OC ZINC000769146282 1303056092 /nfs/dbraw/zinc/05/60/92/1303056092.db2.gz RDUBUWLEQNBLNL-UHFFFAOYSA-N 0 3 329.440 3.482 20 10 EGCDHN COCC[N@@H+](CCCc1ccccc1)Cc1c([O-])cccc1OC ZINC000769146282 1303056096 /nfs/dbraw/zinc/05/60/96/1303056096.db2.gz RDUBUWLEQNBLNL-UHFFFAOYSA-N 0 3 329.440 3.482 20 10 EGCDHN COCC1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000769329635 1303093498 /nfs/dbraw/zinc/09/34/98/1303093498.db2.gz RSRGJRUDIXPQIL-UHFFFAOYSA-N 0 3 347.459 3.444 20 10 EGCDHN COCCn1cc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)cn1 ZINC000769382770 1303102170 /nfs/dbraw/zinc/10/21/70/1303102170.db2.gz AEBWZDPVUAIHKV-UHFFFAOYSA-N 0 3 329.444 3.180 20 10 EGCDHN COCCn1cc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cn1 ZINC000769382770 1303102174 /nfs/dbraw/zinc/10/21/74/1303102174.db2.gz AEBWZDPVUAIHKV-UHFFFAOYSA-N 0 3 329.444 3.180 20 10 EGCDHN CN(C)c1ncc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)cn1 ZINC000769387349 1303104104 /nfs/dbraw/zinc/10/41/04/1303104104.db2.gz JHECCGKZDVFQMU-UHFFFAOYSA-N 0 3 326.444 3.193 20 10 EGCDHN CN(C)c1ncc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cn1 ZINC000769387349 1303104106 /nfs/dbraw/zinc/10/41/06/1303104106.db2.gz JHECCGKZDVFQMU-UHFFFAOYSA-N 0 3 326.444 3.193 20 10 EGCDHN CC[N@@H+]1CC[C@H](N(C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H]1C ZINC000769470263 1303119399 /nfs/dbraw/zinc/11/93/99/1303119399.db2.gz KDBVWHINADDOHE-FZMZJTMJSA-N 0 3 341.839 3.258 20 10 EGCDHN CC[N@H+]1CC[C@H](N(C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H]1C ZINC000769470263 1303119404 /nfs/dbraw/zinc/11/94/04/1303119404.db2.gz KDBVWHINADDOHE-FZMZJTMJSA-N 0 3 341.839 3.258 20 10 EGCDHN CCOc1ccc(C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)c([O-])c1 ZINC000769934865 1303195271 /nfs/dbraw/zinc/19/52/71/1303195271.db2.gz YGUPSFXMGZALJE-UHFFFAOYSA-N 0 3 327.380 3.299 20 10 EGCDHN COc1cccc([O-])c1C[NH2+]CCc1cn(C)c2cc(F)ccc12 ZINC000769937238 1303195605 /nfs/dbraw/zinc/19/56/05/1303195605.db2.gz VIEWVLVMUGXLAK-UHFFFAOYSA-N 0 3 328.387 3.364 20 10 EGCDHN C[C@H](NCC(=O)NC1CCCC1)c1ccc(N2CCCCC2)cc1 ZINC000772982744 1303601660 /nfs/dbraw/zinc/60/16/60/1303601660.db2.gz YHXSBVIEFLPDDV-INIZCTEOSA-N 0 3 329.488 3.386 20 10 EGCDHN CCN(C)c1ccc(CN2CCCN(c3ncccc3F)CC2)cc1 ZINC000773887083 1303751948 /nfs/dbraw/zinc/75/19/48/1303751948.db2.gz AWWFVMJIJCHUDG-UHFFFAOYSA-N 0 3 342.462 3.389 20 10 EGCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]C[C@H]2CCC=CO2)C1 ZINC000775012452 1303888243 /nfs/dbraw/zinc/88/82/43/1303888243.db2.gz PHWJHHOQSJQJBM-IAGOWNOFSA-N 0 3 336.863 3.292 20 10 EGCDHN Cc1ccccc1CCNC(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775834530 1304046547 /nfs/dbraw/zinc/04/65/47/1304046547.db2.gz URISLOWARBVJAW-QGZVFWFLSA-N 0 3 339.483 3.071 20 10 EGCDHN C[C@@H](c1ccccc1)[N@H+](CCN1CCOC1=O)Cc1ccccc1[O-] ZINC000776012056 1304078998 /nfs/dbraw/zinc/07/89/98/1304078998.db2.gz XFRYJCKQXASGEU-INIZCTEOSA-N 0 3 340.423 3.408 20 10 EGCDHN C[C@@H](c1ccccc1)[N@@H+](CCN1CCOC1=O)Cc1ccccc1[O-] ZINC000776012056 1304079001 /nfs/dbraw/zinc/07/90/01/1304079001.db2.gz XFRYJCKQXASGEU-INIZCTEOSA-N 0 3 340.423 3.408 20 10 EGCDHN COc1ccc(C)cc1CN1CCN(Cc2ccccc2O)CC1 ZINC000778994389 1304515438 /nfs/dbraw/zinc/51/54/38/1304515438.db2.gz KRMBRNPJNNZSHZ-UHFFFAOYSA-N 0 3 326.440 3.027 20 10 EGCDHN Cc1cc(N2CCC([NH2+][C@H]3C[C@@H](C)c4c3c([O-])ccc4F)CC2)n[nH]1 ZINC000784056388 1305183459 /nfs/dbraw/zinc/18/34/59/1305183459.db2.gz LLIYUALDVFWCDK-ABAIWWIYSA-N 0 3 344.434 3.370 20 10 EGCDHN CCOc1ccc(C[NH2+][C@@H]2CCc3cc(OC)ccc3C2)c([O-])c1 ZINC000784624856 1305265656 /nfs/dbraw/zinc/26/56/56/1305265656.db2.gz UNKRQQFVBBVKCQ-QGZVFWFLSA-N 0 3 327.424 3.447 20 10 EGCDHN COC[C@H]1CN(Cc2cc(-c3ccccc3)ccc2O)C[C@H](C)O1 ZINC000784666846 1305269869 /nfs/dbraw/zinc/26/98/69/1305269869.db2.gz AUUBZXJQASEWRN-HNAYVOBHSA-N 0 3 327.424 3.295 20 10 EGCDHN COc1ccc(CN[C@@H]2CCCN(C3CCCCC3)C2=O)cc1C ZINC000785549037 1305375502 /nfs/dbraw/zinc/37/55/02/1305375502.db2.gz QZSKCVJDGNQOPI-GOSISDBHSA-N 0 3 330.472 3.417 20 10 EGCDHN CN(C)c1ccc(CNC[C@H](O)c2ccco2)c(C(F)(F)F)c1 ZINC000792896206 1309253045 /nfs/dbraw/zinc/25/30/45/1309253045.db2.gz CJPDHKIRKRIEFU-AWEZNQCLSA-N 0 3 328.334 3.188 20 10 EGCDHN CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1ccc(OC)cc1[O-] ZINC000793388628 1309361848 /nfs/dbraw/zinc/36/18/48/1309361848.db2.gz QLHNFMHCRKVCSQ-CQSZACIVSA-N 0 3 342.439 3.470 20 10 EGCDHN COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000793608074 1309415568 /nfs/dbraw/zinc/41/55/68/1309415568.db2.gz GYTIIWFRUPRELK-SUMWQHHRSA-N 0 3 331.387 3.041 20 10 EGCDHN COc1ccc([C@H](NC(C)C)C(=O)N(C)Cc2ccccc2O)cc1 ZINC000895756077 1309506729 /nfs/dbraw/zinc/50/67/29/1309506729.db2.gz SXDUKQPEYMXYHE-IBGZPJMESA-N 0 3 342.439 3.099 20 10 EGCDHN CCS(=O)(=O)c1ccc(CN[C@H](C)c2cc(C)ccc2O)s1 ZINC000794828007 1309604042 /nfs/dbraw/zinc/60/40/42/1309604042.db2.gz NXNMRTFFZPGDMF-GFCCVEGCSA-N 0 3 339.482 3.407 20 10 EGCDHN CCCCN(CC(=O)NCc1ccccc1F)Cc1ccccc1O ZINC000801599215 1310972234 /nfs/dbraw/zinc/97/22/34/1310972234.db2.gz FVGBQODMNGIZGA-UHFFFAOYSA-N 0 3 344.430 3.450 20 10 EGCDHN CCOc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)c([O-])c1 ZINC000825086491 1320308787 /nfs/dbraw/zinc/30/87/87/1320308787.db2.gz SXACPNRJZOYNAJ-DNVCBOLYSA-N 0 3 328.412 3.196 20 10 EGCDHN COc1cc(Br)cc(C[NH2+][C@@H](C)[C@@H](OC)C2CC2)c1[O-] ZINC000825099233 1320309907 /nfs/dbraw/zinc/30/99/07/1320309907.db2.gz VVIDNOIPKUFUTC-BJOHPYRUSA-N 0 3 344.249 3.066 20 10 EGCDHN Cc1nc([C@H](C)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cs1 ZINC000903449654 1317701895 /nfs/dbraw/zinc/70/18/95/1317701895.db2.gz ZAIDLLBOTPIAHF-UGSOOPFHSA-N 0 3 332.517 3.471 20 10 EGCDHN COC1CCN(CC[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])CC1 ZINC000808700145 1317718001 /nfs/dbraw/zinc/71/80/01/1317718001.db2.gz CUYIHDDPMCLMNZ-ZDUSSCGKSA-N 0 3 326.868 3.115 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCCCCS(C)(=O)=O)c1[O-] ZINC000808712962 1317720811 /nfs/dbraw/zinc/72/08/11/1317720811.db2.gz CSODUMWYMOIFDK-LBPRGKRZSA-N 0 3 333.881 3.220 20 10 EGCDHN CN(C)c1ccc(OC[C@@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000809999894 1317934933 /nfs/dbraw/zinc/93/49/33/1317934933.db2.gz BDHSNSGOICCRHA-NRFANRHFSA-N 0 3 340.467 3.423 20 10 EGCDHN COc1cc(Br)cc(C[NH2+]C[C@](C)(OC)C2CC2)c1[O-] ZINC000812772275 1318451287 /nfs/dbraw/zinc/45/12/87/1318451287.db2.gz CUVMTUQGSRGFDK-HNNXBMFYSA-N 0 3 344.249 3.068 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](c3ccccc3)C1)[C@@H](O)CO2 ZINC000814224935 1318703148 /nfs/dbraw/zinc/70/31/48/1318703148.db2.gz CHQXAVOBDQWZEC-BEFAXECRSA-N 0 3 325.408 3.198 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](c3ccccc3)C1)[C@@H](O)CO2 ZINC000814224935 1318703151 /nfs/dbraw/zinc/70/31/51/1318703151.db2.gz CHQXAVOBDQWZEC-BEFAXECRSA-N 0 3 325.408 3.198 20 10 EGCDHN CC[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1ccc(C)cc1[O-] ZINC000858538696 1328791844 /nfs/dbraw/zinc/79/18/44/1328791844.db2.gz YFSJRTKXQJHAQN-MDZRGWNJSA-N 0 3 328.412 3.372 20 10 EGCDHN CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1ccc(N(C)C)c(C)c1 ZINC000815056050 1318876188 /nfs/dbraw/zinc/87/61/88/1318876188.db2.gz ZOFSMJVQPGQVIH-MOPGFXCFSA-N 0 3 331.504 3.282 20 10 EGCDHN CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1ccc(N(C)C)c(C)c1 ZINC000815056051 1318876682 /nfs/dbraw/zinc/87/66/82/1318876682.db2.gz ZOFSMJVQPGQVIH-OALUTQOASA-N 0 3 331.504 3.282 20 10 EGCDHN C[C@H]1C[C@@H](CO)C[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000817412097 1319351690 /nfs/dbraw/zinc/35/16/90/1319351690.db2.gz CXPNOENUOYBJLX-FUHWJXTLSA-N 0 3 341.451 3.422 20 10 EGCDHN C[C@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000817412097 1319351700 /nfs/dbraw/zinc/35/17/00/1319351700.db2.gz CXPNOENUOYBJLX-FUHWJXTLSA-N 0 3 341.451 3.422 20 10 EGCDHN C[C@H]1C[C@H](CO)CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000817412573 1319353965 /nfs/dbraw/zinc/35/39/65/1319353965.db2.gz MUNHMCNTHUQXRX-RDJZCZTQSA-N 0 3 347.459 3.035 20 10 EGCDHN CON1CCC([NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])CC1 ZINC000817589125 1319408652 /nfs/dbraw/zinc/40/86/52/1319408652.db2.gz UKCMPBIWYQPMNC-LLVKDONJSA-N 0 3 343.265 3.140 20 10 EGCDHN CCc1cnc(CNC[C@@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000818220630 1319521852 /nfs/dbraw/zinc/52/18/52/1319521852.db2.gz HSLPAWOGUYMBBV-AWEZNQCLSA-N 0 3 331.485 3.330 20 10 EGCDHN COc1ccc(N2CC[C@H](CN[C@@H](C)c3cc4n(n3)CCC4)C2)cc1 ZINC000818341884 1319530439 /nfs/dbraw/zinc/53/04/39/1319530439.db2.gz IDAPGKXHRUNWQZ-JKSUJKDBSA-N 0 3 340.471 3.015 20 10 EGCDHN COc1cc(C)cc(CN2CCN(c3ccccc3C)CC2)c1O ZINC000915835546 1319545112 /nfs/dbraw/zinc/54/51/12/1319545112.db2.gz PACNJMZIOXLHNN-UHFFFAOYSA-N 0 3 326.440 3.340 20 10 EGCDHN COc1ccc(N2CCCN(C[C@@H]3CC3(Cl)Cl)CC2)cc1 ZINC000917089663 1319754401 /nfs/dbraw/zinc/75/44/01/1319754401.db2.gz CGIHSCZBNCHJFO-ZDUSSCGKSA-N 0 3 329.271 3.401 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1[O-] ZINC000824721913 1320279745 /nfs/dbraw/zinc/27/97/45/1320279745.db2.gz KVHKCTWNETVSMP-RRFJBIMHSA-N 0 3 325.836 3.180 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1[O-] ZINC000824721913 1320279749 /nfs/dbraw/zinc/27/97/49/1320279749.db2.gz KVHKCTWNETVSMP-RRFJBIMHSA-N 0 3 325.836 3.180 20 10 EGCDHN COc1cc(OC)c(C[C@H](C)[NH2+]Cc2cc(F)ccc2[O-])c(OC)c1 ZINC000824733211 1320280879 /nfs/dbraw/zinc/28/08/79/1320280879.db2.gz KMSOZPFIVHPUFK-LBPRGKRZSA-N 0 3 349.402 3.278 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C)c1[O-] ZINC000824844837 1320290713 /nfs/dbraw/zinc/29/07/13/1320290713.db2.gz DORWRKCFTVMDQY-GOEBONIOSA-N 0 3 329.868 3.433 20 10 EGCDHN COc1ccc(N2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)nc1 ZINC000825305025 1320325806 /nfs/dbraw/zinc/32/58/06/1320325806.db2.gz ADSNVCVHCBENEU-UHFFFAOYSA-N 0 3 349.434 3.271 20 10 EGCDHN C[C@H](Cc1cccc(F)c1)[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000840166330 1321042605 /nfs/dbraw/zinc/04/26/05/1321042605.db2.gz IGGXEEZMPSIZEV-XIKOKIGWSA-N 0 3 331.387 3.020 20 10 EGCDHN C[C@H](Cc1cccc(F)c1)[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000840166330 1321042607 /nfs/dbraw/zinc/04/26/07/1321042607.db2.gz IGGXEEZMPSIZEV-XIKOKIGWSA-N 0 3 331.387 3.020 20 10 EGCDHN O=C1NCCC[C@H]1C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000840825744 1321157297 /nfs/dbraw/zinc/15/72/97/1321157297.db2.gz KFTUMUDQDLVASB-PKOBYXMFSA-N 0 3 338.451 3.182 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+]CCc2ccc(N)cc2)c1[O-] ZINC000841035320 1321205321 /nfs/dbraw/zinc/20/53/21/1321205321.db2.gz MJXTWQXYIMZODG-UHFFFAOYSA-N 0 3 335.245 3.378 20 10 EGCDHN Cc1cc(Br)c([O-])c(C[NH2+]CC2(N)CCCCC2)c1 ZINC000841039597 1321206737 /nfs/dbraw/zinc/20/67/37/1321206737.db2.gz VWTUZEPQBWVQIB-UHFFFAOYSA-N 0 3 327.266 3.214 20 10 EGCDHN CCn1cncc1C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000841864844 1321324750 /nfs/dbraw/zinc/32/47/50/1321324750.db2.gz ZFFBKTDYSKNVOH-MRXNPFEDSA-N 0 3 348.878 3.016 20 10 EGCDHN CCOc1ccc(O)c(CN2CCC(OC)(C(F)(F)F)CC2)c1 ZINC000841889010 1321326284 /nfs/dbraw/zinc/32/62/84/1321326284.db2.gz XHMCUEOWRNQAAT-UHFFFAOYSA-N 0 3 333.350 3.334 20 10 EGCDHN CC[C@H](C)C[C@@H](CO)[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000842753055 1321427639 /nfs/dbraw/zinc/42/76/39/1321427639.db2.gz BSYBMTMHIHKFTF-GWCFXTLKSA-N 0 3 346.265 3.050 20 10 EGCDHN CCc1cccc(CN2CCN([C@@H](C)c3cccnc3)CC2)c1O ZINC000848886895 1322030206 /nfs/dbraw/zinc/03/02/06/1322030206.db2.gz KEJPDKOZYNEGEA-INIZCTEOSA-N 0 3 325.456 3.228 20 10 EGCDHN CN(C)C(=O)C[C@H](NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000920183319 1322149098 /nfs/dbraw/zinc/14/90/98/1322149098.db2.gz KPANLBMIGQBELW-IBGZPJMESA-N 0 3 325.456 3.062 20 10 EGCDHN COc1ccc(O)c(CNCc2cccc(F)c2OC(F)F)c1 ZINC000850136706 1322197665 /nfs/dbraw/zinc/19/76/65/1322197665.db2.gz AIAWJWZIAOAWLO-UHFFFAOYSA-N 0 3 327.302 3.431 20 10 EGCDHN Oc1ccc2c(c1)[C@@H](NCc1ccc(N3CCOCC3)c(F)c1)CC2 ZINC000850386683 1322237127 /nfs/dbraw/zinc/23/71/27/1322237127.db2.gz LKBWYVLDEAPVJD-IBGZPJMESA-N 0 3 342.414 3.145 20 10 EGCDHN CCOc1cccc(CNCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000850406148 1322240332 /nfs/dbraw/zinc/24/03/32/1322240332.db2.gz ULJXXEAPBSJDRQ-UHFFFAOYSA-N 0 3 340.467 3.336 20 10 EGCDHN CC(C)n1cc([C@H](C)NCc2ccc(N3CCC(O)CC3)cc2)cn1 ZINC000850566204 1322269346 /nfs/dbraw/zinc/26/93/46/1322269346.db2.gz LTKNGOGGOYKDSA-INIZCTEOSA-N 0 3 342.487 3.276 20 10 EGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CC1CC2(C1)OCCO2 ZINC000922800043 1322620887 /nfs/dbraw/zinc/62/08/87/1322620887.db2.gz UOMRLPLGXUWPFS-UHFFFAOYSA-N 0 3 325.408 3.302 20 10 EGCDHN COc1cc(N2CCN(CCC=C(C)C)CC2)cc(OC)c1OC ZINC000851936632 1323118007 /nfs/dbraw/zinc/11/80/07/1323118007.db2.gz SHWVEPYYTPEJEG-UHFFFAOYSA-N 0 3 334.460 3.191 20 10 EGCDHN COc1ccc(N2CC[C@@H](CN[C@H](C)c3cn(C(C)C)nn3)C2)cc1 ZINC000926613090 1327635855 /nfs/dbraw/zinc/63/58/55/1327635855.db2.gz SDMKQAWUTXODBJ-CVEARBPZSA-N 0 3 343.475 3.045 20 10 EGCDHN CC(C)[NH2+]C1CCN(Cc2c([O-])cccc2Br)CC1 ZINC000862237126 1329469340 /nfs/dbraw/zinc/46/93/40/1329469340.db2.gz IJSLQSABQMTWDI-UHFFFAOYSA-N 0 3 327.266 3.117 20 10 EGCDHN Cc1cc(CCNC(=O)Cc2nc[nH]c2C)c(C)n1-c1ccccc1 ZINC000863834053 1329584108 /nfs/dbraw/zinc/58/41/08/1329584108.db2.gz BDVNCFYXCARCFX-UHFFFAOYSA-N 0 3 336.439 3.027 20 10 EGCDHN Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccccc3[O-])CC2)cc1 ZINC001202437834 1369771645 /nfs/dbraw/zinc/77/16/45/1369771645.db2.gz HLXFUPWTJNQDOQ-UHFFFAOYSA-N 0 3 339.439 3.487 20 10 EGCDHN Oc1ccccc1CN1CCN(c2nsc3ccccc32)CC1 ZINC001203551755 1370167260 /nfs/dbraw/zinc/16/72/60/1370167260.db2.gz MQBKCIOIVGEYQN-UHFFFAOYSA-N 0 3 325.437 3.324 20 10 EGCDHN COc1ccc(C[N@H+](C[C@@H](O)c2ccccc2OC)C(C)C)c([O-])c1 ZINC001203629004 1370193334 /nfs/dbraw/zinc/19/33/34/1370193334.db2.gz NJEJYGGLHHBXLQ-LJQANCHMSA-N 0 3 345.439 3.353 20 10 EGCDHN COc1ccc(C[N@@H+](C[C@@H](O)c2ccccc2OC)C(C)C)c([O-])c1 ZINC001203629004 1370193338 /nfs/dbraw/zinc/19/33/38/1370193338.db2.gz NJEJYGGLHHBXLQ-LJQANCHMSA-N 0 3 345.439 3.353 20 10 EGCDHN [O-]c1ccc(Cl)cc1CN1CC[C@H]([NH+]2CCCCC2)[C@@H](F)C1 ZINC001203665852 1370208100 /nfs/dbraw/zinc/20/81/00/1370208100.db2.gz YFMZRDMHBWEBMA-HOTGVXAUSA-N 0 3 326.843 3.444 20 10 EGCDHN Oc1ccc(CN2CCN([C@H]3CCCc4ccccc43)CC2)cc1O ZINC001203879962 1370297656 /nfs/dbraw/zinc/29/76/56/1370297656.db2.gz KXGHJLXEDNVAIO-IBGZPJMESA-N 0 3 338.451 3.293 20 10 EGCDHN CC(C)(C)OC(=O)N1CCC[C@@H](C[N@@H+]2CCc3cccc([O-])c3C2)C1 ZINC001207247391 1371342126 /nfs/dbraw/zinc/34/21/26/1371342126.db2.gz KICIZVBMVOLBPN-HNNXBMFYSA-N 0 3 346.471 3.397 20 10 EGCDHN CC(C)(C)OC(=O)N1CCC[C@@H](C[N@H+]2CCc3cccc([O-])c3C2)C1 ZINC001207247391 1371342131 /nfs/dbraw/zinc/34/21/31/1371342131.db2.gz KICIZVBMVOLBPN-HNNXBMFYSA-N 0 3 346.471 3.397 20 10 EGCDHN COc1cc([O-])c(CN2CC[NH2+]C[C@H]2c2ccccc2)c(Cl)c1 ZINC001210226069 1372298888 /nfs/dbraw/zinc/29/88/88/1372298888.db2.gz AYKIKAJJNSOFDK-KRWDZBQOSA-N 0 3 332.831 3.201 20 10 EGCDHN C[C@@]1(O)CC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC001233194050 1376582853 /nfs/dbraw/zinc/58/28/53/1376582853.db2.gz KEFQUNNZSZPDBS-MRXNPFEDSA-N 0 3 336.229 3.265 20 10 EGCDHN C[C@@]1(O)CC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC001233194050 1376582857 /nfs/dbraw/zinc/58/28/57/1376582857.db2.gz KEFQUNNZSZPDBS-MRXNPFEDSA-N 0 3 336.229 3.265 20 10 EGCDHN COc1cc(Cl)cc(CN2C[C@@H]3C(=O)c4ccccc4[C@@H]3C2)c1O ZINC001233287935 1376604506 /nfs/dbraw/zinc/60/45/06/1376604506.db2.gz OBYLVMVRXVBWFV-HOTGVXAUSA-N 0 3 343.810 3.466 20 10 EGCDHN [O-]c1c(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)cccc1OC(F)(F)F ZINC001233736042 1376706163 /nfs/dbraw/zinc/70/61/63/1376706163.db2.gz BSOAQPJQQMHABU-SMDDNHRTSA-N 0 3 331.334 3.292 20 10 EGCDHN [O-]c1c(C[N@H+]2CC[C@@H]3CCCO[C@@H]3C2)cccc1OC(F)(F)F ZINC001233736042 1376706166 /nfs/dbraw/zinc/70/61/66/1376706166.db2.gz BSOAQPJQQMHABU-SMDDNHRTSA-N 0 3 331.334 3.292 20 10 EGCDHN COC(=O)C[C@@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233768317 1376712041 /nfs/dbraw/zinc/71/20/41/1376712041.db2.gz PAKZYPJOOPRVIH-NSHDSACASA-N 0 3 347.333 3.066 20 10 EGCDHN COC(=O)C[C@@H]1CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233768317 1376712048 /nfs/dbraw/zinc/71/20/48/1376712048.db2.gz PAKZYPJOOPRVIH-NSHDSACASA-N 0 3 347.333 3.066 20 10 EGCDHN Cc1cc(N2CCN(Cc3ccc(C(C)C)cc3O)CC2)nc(C)n1 ZINC001237053056 1376970985 /nfs/dbraw/zinc/97/09/85/1376970985.db2.gz FZYOUTSBAJTNMD-UHFFFAOYSA-N 0 3 340.471 3.245 20 10 EGCDHN CC(C)c1ccc(C[NH+]2CCC(Oc3ncc(F)cn3)CC2)c([O-])c1 ZINC001237052292 1376971018 /nfs/dbraw/zinc/97/10/18/1376971018.db2.gz VTZDIVZYJRKKHZ-UHFFFAOYSA-N 0 3 345.418 3.488 20 10 EGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001237053467 1376971612 /nfs/dbraw/zinc/97/16/12/1376971612.db2.gz MKHLXTGDUPKVMB-LRDDRELGSA-N 0 3 345.361 3.334 20 10 EGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001237053467 1376971617 /nfs/dbraw/zinc/97/16/17/1376971617.db2.gz MKHLXTGDUPKVMB-LRDDRELGSA-N 0 3 345.361 3.334 20 10 EGCDHN CN(Cc1ccncc1)Cc1ccc(OCC(F)(F)F)cc1O ZINC001237054034 1376972302 /nfs/dbraw/zinc/97/23/02/1376972302.db2.gz TVLNYRSGQDLOFQ-UHFFFAOYSA-N 0 3 326.318 3.360 20 10 EGCDHN CC[N@H+](CCn1ccnc1)Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237061775 1376973874 /nfs/dbraw/zinc/97/38/74/1376973874.db2.gz KDIFMVLXNXAEMZ-UHFFFAOYSA-N 0 3 343.349 3.052 20 10 EGCDHN CC[N@@H+](CCn1ccnc1)Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237061775 1376973876 /nfs/dbraw/zinc/97/38/76/1376973876.db2.gz KDIFMVLXNXAEMZ-UHFFFAOYSA-N 0 3 343.349 3.052 20 10 EGCDHN COC(=O)[C@@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])[C@@H]1C ZINC001237141059 1376976529 /nfs/dbraw/zinc/97/65/29/1376976529.db2.gz UIBYBURSUGHNSD-ZWNOBZJWSA-N 0 3 331.334 3.185 20 10 EGCDHN COC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])[C@@H]1C ZINC001237141059 1376976535 /nfs/dbraw/zinc/97/65/35/1376976535.db2.gz UIBYBURSUGHNSD-ZWNOBZJWSA-N 0 3 331.334 3.185 20 10 EGCDHN COC(=O)[C@@H]1CCCN(Cc2cc(C(F)(F)F)ccc2O)[C@@H]1C ZINC001237141059 1376976539 /nfs/dbraw/zinc/97/65/39/1376976539.db2.gz UIBYBURSUGHNSD-ZWNOBZJWSA-N 0 3 331.334 3.185 20 10 EGCDHN CCCCCCN1CCN(Cc2cc(OC)cc(OC)c2O)CC1 ZINC001237676224 1376983349 /nfs/dbraw/zinc/98/33/49/1376983349.db2.gz LDBOOHJFNVBJKW-UHFFFAOYSA-N 0 3 336.476 3.107 20 10 EGCDHN [O-]c1cccc(F)c1C[N@@H+]1C[C@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC001137837547 1377627162 /nfs/dbraw/zinc/62/71/62/1377627162.db2.gz LHTLJAXKWGTCTL-VQIMIIECSA-N 0 3 326.415 3.238 20 10 EGCDHN [O-]c1cccc(F)c1C[N@H+]1C[C@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC001137837547 1377627164 /nfs/dbraw/zinc/62/71/64/1377627164.db2.gz LHTLJAXKWGTCTL-VQIMIIECSA-N 0 3 326.415 3.238 20 10 EGCDHN [O-]c1cccc(F)c1C[N@@H+]1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001137837544 1377627223 /nfs/dbraw/zinc/62/72/23/1377627223.db2.gz LHTLJAXKWGTCTL-APWZRJJASA-N 0 3 326.415 3.238 20 10 EGCDHN [O-]c1cccc(F)c1C[N@H+]1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001137837544 1377627225 /nfs/dbraw/zinc/62/72/25/1377627225.db2.gz LHTLJAXKWGTCTL-APWZRJJASA-N 0 3 326.415 3.238 20 10 EGCDHN CC(=O)N1CCCN(Cc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC001137854460 1377631795 /nfs/dbraw/zinc/63/17/95/1377631795.db2.gz XTODYDCRVAFNRT-UHFFFAOYSA-N 0 3 325.456 3.148 20 10 EGCDHN CCN(CC)c1ccc(CN2C[C@H](C)C[C@H](C(=O)OC)C2)c(OC)c1 ZINC001138390193 1377714648 /nfs/dbraw/zinc/71/46/48/1377714648.db2.gz OXAFSVZDWCHEKN-WBVHZDCISA-N 0 3 348.487 3.172 20 10 EGCDHN CCc1nnc(C2CCN(Cc3ccc(N(C)C)c(C)c3)CC2)o1 ZINC001139672754 1377931596 /nfs/dbraw/zinc/93/15/96/1377931596.db2.gz FSHCDOWMVHCDGI-UHFFFAOYSA-N 0 3 328.460 3.386 20 10 EGCDHN CC(C)[N@H+](C)[C@H]1CCN(Cc2c([O-])cccc2Br)C1 ZINC001140103497 1378008807 /nfs/dbraw/zinc/00/88/07/1378008807.db2.gz MCTFGCIYJJTFKM-LBPRGKRZSA-N 0 3 327.266 3.069 20 10 EGCDHN CC(C)[N@@H+](C)[C@H]1CCN(Cc2c([O-])cccc2Br)C1 ZINC001140103497 1378008808 /nfs/dbraw/zinc/00/88/08/1378008808.db2.gz MCTFGCIYJJTFKM-LBPRGKRZSA-N 0 3 327.266 3.069 20 10 EGCDHN O=C1Nc2c(cccc2F)C12CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001140055673 1377996730 /nfs/dbraw/zinc/99/67/30/1377996730.db2.gz OUPGZLDSDXMXIJ-UHFFFAOYSA-N 0 3 344.361 3.156 20 10 EGCDHN CCN(CC[NH+](CC)CC)Cc1c([O-])cccc1Br ZINC001140101529 1378007637 /nfs/dbraw/zinc/00/76/37/1378007637.db2.gz SFFSPSNTJBCOKB-UHFFFAOYSA-N 0 3 329.282 3.318 20 10 EGCDHN CCN1CCN(c2ccc(CN3CCCCC(F)(F)C3)cc2)CC1 ZINC001140300085 1378042903 /nfs/dbraw/zinc/04/29/03/1378042903.db2.gz LWOKSDDDUXCLEM-UHFFFAOYSA-N 0 3 337.458 3.450 20 10 EGCDHN Fc1cc(N2CCOCC2)ccc1CN1CCC2(CCCOC2)CC1 ZINC001140664977 1378110061 /nfs/dbraw/zinc/11/00/61/1378110061.db2.gz ZCROWAOLVCCBMX-UHFFFAOYSA-N 0 3 348.462 3.055 20 10 EGCDHN CN(CCc1ccccc1F)Cc1ccc(N2CCOCC2)cc1F ZINC001140664341 1378110184 /nfs/dbraw/zinc/11/01/84/1378110184.db2.gz FUTWQGBVTNYQCF-UHFFFAOYSA-N 0 3 346.421 3.476 20 10 EGCDHN CCCNC(=O)[C@H]1CCCCN1Cc1ccc(N(CC)CC)cc1O ZINC001140855246 1378158612 /nfs/dbraw/zinc/15/86/12/1378158612.db2.gz UDHIQEQZJNAXMJ-GOSISDBHSA-N 0 3 347.503 3.119 20 10 EGCDHN Cc1ccc(C[N@H+](C)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001140950998 1378189847 /nfs/dbraw/zinc/18/98/47/1378189847.db2.gz SJVGOLXEEHCCFO-HNNXBMFYSA-N 0 3 334.460 3.389 20 10 EGCDHN Cc1ccc(C[N@@H+](C)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001140950998 1378189851 /nfs/dbraw/zinc/18/98/51/1378189851.db2.gz SJVGOLXEEHCCFO-HNNXBMFYSA-N 0 3 334.460 3.389 20 10 EGCDHN Cc1ccc(C[NH+]2CCC3(CC2)C(=O)N[C@H]3c2ccccc2)c([O-])c1 ZINC001140950220 1378190704 /nfs/dbraw/zinc/19/07/04/1378190704.db2.gz WAVBSMYKWXPJBM-IBGZPJMESA-N 0 3 336.435 3.154 20 10 EGCDHN Cc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](OCC4CC4)CO3)C2)c([O-])c1 ZINC001140952426 1378191330 /nfs/dbraw/zinc/19/13/30/1378191330.db2.gz RMWIYMGJNFNZNS-AZUAARDMSA-N 0 3 331.456 3.251 20 10 EGCDHN Cc1ccc(C[N@H+]2CCC[C@@]3(C[C@H](OCC4CC4)CO3)C2)c([O-])c1 ZINC001140952426 1378191343 /nfs/dbraw/zinc/19/13/43/1378191343.db2.gz RMWIYMGJNFNZNS-AZUAARDMSA-N 0 3 331.456 3.251 20 10 EGCDHN CCOc1ccc(N2CCN(Cc3cccc4n[nH]cc43)CC2)cc1 ZINC001143101274 1378540213 /nfs/dbraw/zinc/54/02/13/1378540213.db2.gz DQHOEEDTCPDCKL-UHFFFAOYSA-N 0 3 336.439 3.284 20 10 EGCDHN Oc1cc(O)c(CN(Cc2ccccc2)Cc2cccnc2)c(O)c1 ZINC001144509134 1378738877 /nfs/dbraw/zinc/73/88/77/1378738877.db2.gz LXDRTOWRELNXLV-UHFFFAOYSA-N 0 3 336.391 3.401 20 10 EGCDHN C[C@@H](N)C(=O)N(C)CCC=C1c2ccccc2CCc2ccccc21 ZINC001160930518 1382238326 /nfs/dbraw/zinc/23/83/26/1382238326.db2.gz TVQHEGHMTDINLS-MRXNPFEDSA-N 0 3 334.463 3.413 20 10 EGCDHN COc1ccc([C@@H]2C[C@H]([NH2+]Cc3ccc(O)cc3[O-])CCO2)cc1 ZINC001168598193 1383945313 /nfs/dbraw/zinc/94/53/13/1383945313.db2.gz DGZNQKKNGRSREX-BEFAXECRSA-N 0 3 329.396 3.116 20 10 EGCDHN Cc1nc(CCNCc2cc(F)c(N(C)C)cc2F)sc1C ZINC001328921838 1388903064 /nfs/dbraw/zinc/90/30/64/1388903064.db2.gz LMCRUTGCHQVHEV-UHFFFAOYSA-N 0 3 325.428 3.436 20 10 EGCDHN COc1ccc(CN(C)Cc2ccccc2N(C)C)c(O)c1OC ZINC001335533530 1390700425 /nfs/dbraw/zinc/70/04/25/1390700425.db2.gz LFIHRBUFMWTNDO-UHFFFAOYSA-N 0 3 330.428 3.107 20 10 EGCDHN CN(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1c([O-])cccc1Br ZINC001348085736 1391170945 /nfs/dbraw/zinc/17/09/45/1391170945.db2.gz KDBFJSOMLYZGHX-ZIAGYGMSSA-N 0 3 327.266 3.117 20 10 EGCDHN COc1ccc(CNC/C=C\CNC(=O)[C@H]2CCCC23CC3)cc1C ZINC001754139145 1440544057 /nfs/dbraw/zinc/54/40/57/1440544057.db2.gz WYPGVDUETLQQEU-DDKKJVIOSA-N 0 3 342.483 3.346 20 10 EGCDHN COc1ccc(CNC2(CNC(=O)c3c(C)coc3C)CC2)cc1C ZINC001754512927 1440617900 /nfs/dbraw/zinc/61/79/00/1440617900.db2.gz BHYAIHGMNXKEJI-UHFFFAOYSA-N 0 3 342.439 3.266 20 10 EGCDHN COC(=O)COc1ccccc1[C@@H](C)NCc1ccc(N(C)C)cc1 ZINC000183308312 455275985 /nfs/dbraw/zinc/27/59/85/455275985.db2.gz YDTWHDVGAWKHFX-OAHLLOKOSA-N 0 3 342.439 3.155 20 10 EGCDHN C[C@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)c1ccccc1[O-] ZINC000183390877 455287103 /nfs/dbraw/zinc/28/71/03/455287103.db2.gz XXPZKAGCEGCUPE-QFBILLFUSA-N 0 3 326.440 3.116 20 10 EGCDHN CCN1CCC[C@H]1CNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000013068514 453442413 /nfs/dbraw/zinc/44/24/13/453442413.db2.gz LRCZTZOZFUCTRD-IBGZPJMESA-N 0 3 325.456 3.308 20 10 EGCDHN CCOc1cccc(CNCc2ccc(N3CCOCC3)cc2)c1 ZINC000077221149 454077587 /nfs/dbraw/zinc/07/75/87/454077587.db2.gz NFCYAHKFZTVMMD-UHFFFAOYSA-N 0 3 326.440 3.212 20 10 EGCDHN CC(C)N1CC[C@H](N[C@@H](C)c2ccc(N3CCCCC3)cc2)C1=O ZINC000089728913 454184251 /nfs/dbraw/zinc/18/42/51/454184251.db2.gz HWUDIVYKDUPNHG-LPHOPBHVSA-N 0 3 329.488 3.337 20 10 EGCDHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccc2c[nH]nc2c1 ZINC000121298060 454418458 /nfs/dbraw/zinc/41/84/58/454418458.db2.gz VXIRPDWNCWFVSF-UHFFFAOYSA-N 0 3 336.439 3.032 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1)OCO2 ZINC000091891481 454484570 /nfs/dbraw/zinc/48/45/70/454484570.db2.gz MBQVIYZICUHCSU-ZFWWWQNUSA-N 0 3 347.436 3.271 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1)OCO2 ZINC000091891481 454484573 /nfs/dbraw/zinc/48/45/73/454484573.db2.gz MBQVIYZICUHCSU-ZFWWWQNUSA-N 0 3 347.436 3.271 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC(CC(=O)NC)CC2)cc1F ZINC000093588014 454722777 /nfs/dbraw/zinc/72/27/77/454722777.db2.gz KXBINRDLGBNDDX-UHFFFAOYSA-N 0 3 335.467 3.020 20 10 EGCDHN COc1cccc(C[N@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1[O-] ZINC000127134548 454940242 /nfs/dbraw/zinc/94/02/42/454940242.db2.gz RLOHYUDMLBVNIO-AWEZNQCLSA-N 0 3 338.411 3.175 20 10 EGCDHN COc1cccc(C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1[O-] ZINC000127134548 454940246 /nfs/dbraw/zinc/94/02/46/454940246.db2.gz RLOHYUDMLBVNIO-AWEZNQCLSA-N 0 3 338.411 3.175 20 10 EGCDHN CCCN(CC(=O)NCc1sccc1C)Cc1ccccc1O ZINC000170779149 454976415 /nfs/dbraw/zinc/97/64/15/454976415.db2.gz ADBALHUDAGYORV-UHFFFAOYSA-N 0 3 332.469 3.291 20 10 EGCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000179901464 455096149 /nfs/dbraw/zinc/09/61/49/455096149.db2.gz CXZYIWLNQKGOKN-AWEZNQCLSA-N 0 3 344.434 3.229 20 10 EGCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000179901464 455096153 /nfs/dbraw/zinc/09/61/53/455096153.db2.gz CXZYIWLNQKGOKN-AWEZNQCLSA-N 0 3 344.434 3.229 20 10 EGCDHN Cc1cccc(C[N@H+]2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c1[O-] ZINC000180055881 455124448 /nfs/dbraw/zinc/12/44/48/455124448.db2.gz FUQDPAFKJCMCBH-HNNXBMFYSA-N 0 3 334.460 3.389 20 10 EGCDHN Cc1cccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c1[O-] ZINC000180055881 455124450 /nfs/dbraw/zinc/12/44/50/455124450.db2.gz FUQDPAFKJCMCBH-HNNXBMFYSA-N 0 3 334.460 3.389 20 10 EGCDHN CC[C@@H]([NH2+]CCCN1C(=O)COc2ccccc21)c1ccccc1[O-] ZINC000156662599 455142023 /nfs/dbraw/zinc/14/20/23/455142023.db2.gz PBFZJAWZFUFOID-MRXNPFEDSA-N 0 3 340.423 3.249 20 10 EGCDHN CCN(C[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1)CC(F)(F)F ZINC000180225619 455149817 /nfs/dbraw/zinc/14/98/17/455149817.db2.gz DOQQUBQKCIRMHT-GFCCVEGCSA-N 0 3 334.357 3.237 20 10 EGCDHN CCN(C[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1)CC(F)(F)F ZINC000180225619 455149818 /nfs/dbraw/zinc/14/98/18/455149818.db2.gz DOQQUBQKCIRMHT-GFCCVEGCSA-N 0 3 334.357 3.237 20 10 EGCDHN CC[N@H+](CCCn1ccnc1)Cc1cc(Br)ccc1[O-] ZINC000182804015 455167760 /nfs/dbraw/zinc/16/77/60/455167760.db2.gz ZUNKHYHFKKGQHQ-UHFFFAOYSA-N 0 3 338.249 3.263 20 10 EGCDHN CC[N@@H+](CCCn1ccnc1)Cc1cc(Br)ccc1[O-] ZINC000182804015 455167764 /nfs/dbraw/zinc/16/77/64/455167764.db2.gz ZUNKHYHFKKGQHQ-UHFFFAOYSA-N 0 3 338.249 3.263 20 10 EGCDHN CCN(C)C(=O)[C@@H](C)N[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000189406419 455191444 /nfs/dbraw/zinc/19/14/44/455191444.db2.gz KOFAPPPSYVXMAU-HUUCEWRRSA-N 0 3 335.467 3.333 20 10 EGCDHN [O-]c1ccccc1C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000181125531 455291096 /nfs/dbraw/zinc/29/10/96/455291096.db2.gz WHBVBOPGAVJGQE-UHFFFAOYSA-N 0 3 325.334 3.445 20 10 EGCDHN Cc1ccc([C@H](C[NH2+][C@@H](C)c2cc(C)ccc2[O-])N2CCOCC2)o1 ZINC000184909300 455470462 /nfs/dbraw/zinc/47/04/62/455470462.db2.gz BCYYTFGLAJCHQK-WMZOPIPTSA-N 0 3 344.455 3.326 20 10 EGCDHN COc1ccc(OC)c([C@H](O)C[NH2+][C@H](C)c2ccc(C)cc2[O-])c1 ZINC000184946843 455476159 /nfs/dbraw/zinc/47/61/59/455476159.db2.gz GTVZSAKBAFLYHZ-FZKQIMNGSA-N 0 3 331.412 3.102 20 10 EGCDHN CCOc1ccc(O)c(CN2CCC(Oc3ccc(F)nc3)CC2)c1 ZINC000191678828 455509654 /nfs/dbraw/zinc/50/96/54/455509654.db2.gz XMJDGUVOOHMUGN-UHFFFAOYSA-N 0 3 346.402 3.368 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]CCCS(=O)(=O)c2ccccc2)c([O-])c1 ZINC000185166917 455514905 /nfs/dbraw/zinc/51/49/05/455514905.db2.gz MWJMUHQDXVJNGC-HNNXBMFYSA-N 0 3 333.453 3.215 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C2CCN(CC(F)(F)F)CC2)c1 ZINC000185291243 455534774 /nfs/dbraw/zinc/53/47/74/455534774.db2.gz AVVZPFIKISUCML-LLVKDONJSA-N 0 3 332.366 3.078 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]C2CCN(c3cc(C)nc(C)n3)CC2)c([O-])c1 ZINC000185655138 455590322 /nfs/dbraw/zinc/59/03/22/455590322.db2.gz VJKPYRKJOBBAGV-OAHLLOKOSA-N 0 3 340.471 3.427 20 10 EGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C2CCN(c3cc(C)nc(C)n3)CC2)c1 ZINC000185654748 455590615 /nfs/dbraw/zinc/59/06/15/455590615.db2.gz PEWQKPLQDDGSGL-OAHLLOKOSA-N 0 3 340.471 3.427 20 10 EGCDHN COc1ccc([C@H](CN(C)C)NCc2ccc(N(C)C)c(F)c2)cc1 ZINC000283823233 455599240 /nfs/dbraw/zinc/59/92/40/455599240.db2.gz DEOINPJATDNFPC-IBGZPJMESA-N 0 3 345.462 3.293 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]CC2(N3CCCCC3)CCOCC2)c([O-])c1 ZINC000186019392 455676984 /nfs/dbraw/zinc/67/69/84/455676984.db2.gz NUABLCHOETTYIA-QGZVFWFLSA-N 0 3 332.488 3.386 20 10 EGCDHN C[C@H](N[C@@H]1CCN(Cc2ccccc2)C1=O)c1ccc(N(C)C)cc1 ZINC000271541849 455678064 /nfs/dbraw/zinc/67/80/64/455678064.db2.gz YPMLCHXUTNWRBB-OXJNMPFZSA-N 0 3 337.467 3.204 20 10 EGCDHN COc1ccc([C@@H](OC)[C@H](C)[NH2+]Cc2cccc(OC)c2[O-])cc1 ZINC000271583572 455691231 /nfs/dbraw/zinc/69/12/31/455691231.db2.gz VPWPGLZDQCZNJC-DJJJIMSYSA-N 0 3 331.412 3.275 20 10 EGCDHN COc1cc([O-])c(C[NH2+][C@H](C)[C@@H]2OCCc3sccc32)cc1OC ZINC000292745570 455746869 /nfs/dbraw/zinc/74/68/69/455746869.db2.gz HXDFFHBJYWUGDR-ZMZPIMSZSA-N 0 3 349.452 3.263 20 10 EGCDHN COc1ccccc1C[C@@H](C)[N@H+](C)Cc1cc(OC)c(OC)cc1[O-] ZINC000271754159 455747918 /nfs/dbraw/zinc/74/79/18/455747918.db2.gz WRWGLPFORUJDCX-CQSZACIVSA-N 0 3 345.439 3.481 20 10 EGCDHN COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1cc(OC)c(OC)cc1[O-] ZINC000271754159 455747921 /nfs/dbraw/zinc/74/79/21/455747921.db2.gz WRWGLPFORUJDCX-CQSZACIVSA-N 0 3 345.439 3.481 20 10 EGCDHN CC[C@H]([NH2+]Cc1cc(OC)ccc1[O-])[C@@H](O)c1c(F)cccc1F ZINC000271792752 455762218 /nfs/dbraw/zinc/76/22/18/455762218.db2.gz HEADBLUGWKLYPK-MAUKXSAKSA-N 0 3 337.366 3.281 20 10 EGCDHN COc1cc(O)c(CN2CCC=C(c3ccncc3)C2)cc1OC ZINC000285076612 455785656 /nfs/dbraw/zinc/78/56/56/455785656.db2.gz JMHDFOGHZDETDZ-UHFFFAOYSA-N 0 3 326.396 3.094 20 10 EGCDHN CCCOc1ccc(C[NH2+][C@@H](c2cccnc2)C(C)(C)CO)c([O-])c1 ZINC000293535556 455790121 /nfs/dbraw/zinc/79/01/21/455790121.db2.gz CESMYGBQWHKTNS-IBGZPJMESA-N 0 3 344.455 3.425 20 10 EGCDHN COc1cccc([C@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)N(C)C)c1 ZINC000295901201 455862270 /nfs/dbraw/zinc/86/22/70/455862270.db2.gz IQNNFBDXYKGCDC-MSOLQXFVSA-N 0 3 326.440 3.281 20 10 EGCDHN O=C(/C=C\c1cncc(F)c1)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000255266996 455863778 /nfs/dbraw/zinc/86/37/78/455863778.db2.gz KJAFVITXDUQAGJ-JTHGQSKGSA-N 0 3 337.398 3.245 20 10 EGCDHN COc1cc(OC)c(OC)cc1CN[C@H]1CCc2cccc(O)c21 ZINC000296036802 455867534 /nfs/dbraw/zinc/86/75/34/455867534.db2.gz QKOOBIMVCOUSMX-AWEZNQCLSA-N 0 3 329.396 3.195 20 10 EGCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H](c1ccccc1)N1CCOCC1)CC2 ZINC000296129502 455869631 /nfs/dbraw/zinc/86/96/31/455869631.db2.gz VSLINMREBVXAFJ-OALUTQOASA-N 0 3 338.451 3.043 20 10 EGCDHN COc1ccc([O-])c(C[NH+]2CCC(O)(Cc3cccc(C)c3)CC2)c1 ZINC000279669151 455870082 /nfs/dbraw/zinc/87/00/82/455870082.db2.gz HMQLFPQKESFQEO-UHFFFAOYSA-N 0 3 341.451 3.279 20 10 EGCDHN COc1ccc(O)c(CN2CCC(O)(Cc3cccc(C)c3)CC2)c1 ZINC000279669151 455870087 /nfs/dbraw/zinc/87/00/87/455870087.db2.gz HMQLFPQKESFQEO-UHFFFAOYSA-N 0 3 341.451 3.279 20 10 EGCDHN CC[C@H]([NH2+][C@@H](CO)C[C@@H](O)c1ccccc1)c1ccc(C)cc1[O-] ZINC000279925935 455878243 /nfs/dbraw/zinc/87/82/43/455878243.db2.gz AJXSRQNTTBSQQX-NZSAHSFTSA-N 0 3 329.440 3.226 20 10 EGCDHN CC[C@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)c1ccc(C)cc1[O-] ZINC000279945218 455878290 /nfs/dbraw/zinc/87/82/90/455878290.db2.gz BKEKFAXITDQPCX-SFHVURJKSA-N 0 3 347.480 3.356 20 10 EGCDHN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccccc1-n1ccnn1 ZINC000286017686 455962353 /nfs/dbraw/zinc/96/23/53/455962353.db2.gz JNOSIDIPUQTIIL-CQSZACIVSA-N 0 3 339.418 3.323 20 10 EGCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000270682994 456013438 /nfs/dbraw/zinc/01/34/38/456013438.db2.gz TXZKHRGFLHYSLC-VQIMIIECSA-N 0 3 346.377 3.040 20 10 EGCDHN [O-]c1cccc2c1[C@@H]([NH2+]CC1(N3CCCCC3)CCOCC1)CC2 ZINC000296706067 456015731 /nfs/dbraw/zinc/01/57/31/456015731.db2.gz HXMGPOGAPHKEKH-KRWDZBQOSA-N 0 3 330.472 3.004 20 10 EGCDHN COCCOCc1ccc(CNCc2ccc(N(C)C)cc2)cc1 ZINC000289652454 456135143 /nfs/dbraw/zinc/13/51/43/456135143.db2.gz HQKRLZFUWVFDEK-UHFFFAOYSA-N 0 3 328.456 3.205 20 10 EGCDHN CCOc1cccc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)c1[O-] ZINC000289839563 456151082 /nfs/dbraw/zinc/15/10/82/456151082.db2.gz NCLPYGNSPZFOCK-FXAWDEMLSA-N 0 3 327.424 3.047 20 10 EGCDHN C[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])C(=O)NC(C)(C)C ZINC000263722530 456202392 /nfs/dbraw/zinc/20/23/92/456202392.db2.gz WOVOHLUMOPKKSY-AWEZNQCLSA-N 0 3 326.440 3.452 20 10 EGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)c1 ZINC000273296442 456222283 /nfs/dbraw/zinc/22/22/83/456222283.db2.gz ACTCUCWPYUCECP-AWEZNQCLSA-N 0 3 333.453 3.096 20 10 EGCDHN Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000273349387 456223580 /nfs/dbraw/zinc/22/35/80/456223580.db2.gz BHVHBYJQSNKXLG-OAHLLOKOSA-N 0 3 330.428 3.381 20 10 EGCDHN Cc1ccc(CN2CC[C@@H](N[C@H](C)c3cc(C)ccc3O)C2=O)cc1 ZINC000189094076 456224691 /nfs/dbraw/zinc/22/46/91/456224691.db2.gz VFOBBBSELDHJLQ-VQIMIIECSA-N 0 3 338.451 3.461 20 10 EGCDHN C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1)c1cc(F)ccc1[O-] ZINC000273514685 456236317 /nfs/dbraw/zinc/23/63/17/456236317.db2.gz SFLWKUQUQLKPMN-CJNGLKHVSA-N 0 3 344.434 3.240 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCc2cccc(C(=O)NC3CC3)c2)c1 ZINC000273604893 456240585 /nfs/dbraw/zinc/24/05/85/456240585.db2.gz SZVODBRNXBNTJM-ZDUSSCGKSA-N 0 3 340.423 3.144 20 10 EGCDHN COc1cc(CNCc2ccc3c(c2)CCCN3C)cc(OC)c1O ZINC000263894104 456258417 /nfs/dbraw/zinc/25/84/17/456258417.db2.gz PRBINABKLKUBJU-UHFFFAOYSA-N 0 3 342.439 3.082 20 10 EGCDHN CN(C)CCc1ccccc1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000275554957 456277242 /nfs/dbraw/zinc/27/72/42/456277242.db2.gz AKGHUFVULSRZEY-UHFFFAOYSA-N 0 3 340.471 3.178 20 10 EGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@](O)(c1ccccc1)C(F)(F)F)CC2 ZINC000297869628 456313221 /nfs/dbraw/zinc/31/32/21/456313221.db2.gz UOGVCHSNNGZBRR-PBHICJAKSA-N 0 3 337.341 3.419 20 10 EGCDHN CC[C@H]([NH2+]CCS(=O)(=O)CCc1ccccc1)c1ccccc1[O-] ZINC000282732005 456606057 /nfs/dbraw/zinc/60/60/57/456606057.db2.gz MQLKAGDHGBOBQU-SFHVURJKSA-N 0 3 347.480 3.090 20 10 EGCDHN CCCCN(Cc1ccnn1CCCOC)Cc1ccccc1O ZINC000283177617 456728525 /nfs/dbraw/zinc/72/85/25/456728525.db2.gz ZMAJDVZJXHQTLH-UHFFFAOYSA-N 0 3 331.460 3.428 20 10 EGCDHN C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1)c1ccccc1[O-] ZINC000359990596 457190150 /nfs/dbraw/zinc/19/01/50/457190150.db2.gz BXWMEIMJRBIPQQ-QNDJGXFYSA-N 0 3 336.435 3.200 20 10 EGCDHN COc1ccc(O)c(CN2CCCN(C(=O)CC3CCCC3)CC2)c1 ZINC000367726614 457976325 /nfs/dbraw/zinc/97/63/25/457976325.db2.gz SXOPQGQKPGIDKU-UHFFFAOYSA-N 0 3 346.471 3.015 20 10 EGCDHN CCOc1ccc(O)c(CN[C@@H](c2ccc(OC)nc2)C2CC2)c1 ZINC000527842037 459756303 /nfs/dbraw/zinc/75/63/03/459756303.db2.gz UBSUNBBDJWYILO-LJQANCHMSA-N 0 3 328.412 3.435 20 10 EGCDHN CCOc1ccc([O-])c(C[NH2+][C@@H](c2ccc(OC)nc2)C2CC2)c1 ZINC000527842037 459756313 /nfs/dbraw/zinc/75/63/13/459756313.db2.gz UBSUNBBDJWYILO-LJQANCHMSA-N 0 3 328.412 3.435 20 10 EGCDHN COC(=O)N1CCC[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000726607702 574563640 /nfs/dbraw/zinc/56/36/40/574563640.db2.gz UNTSGARQRPAJRF-GOSISDBHSA-N 0 3 340.423 3.380 20 10 EGCDHN C[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])[C@@H](C)N1CCOCC1 ZINC000729686826 574880059 /nfs/dbraw/zinc/88/00/59/574880059.db2.gz IUTWNTJNSQAWOG-IAGOWNOFSA-N 0 3 340.467 3.258 20 10 EGCDHN CCOc1ccc(C[NH2+]C(C)(C)C(=O)Nc2ccccc2)c([O-])c1 ZINC000731041572 575046054 /nfs/dbraw/zinc/04/60/54/575046054.db2.gz HLORJCCLVTVJBD-UHFFFAOYSA-N 0 3 328.412 3.298 20 10 EGCDHN CCN(CC)c1ccc(CNC(=O)[C@@H](C)N2CCCCCC2)cc1 ZINC000733921811 575415190 /nfs/dbraw/zinc/41/51/90/575415190.db2.gz GLISKZIBXWRMMP-QGZVFWFLSA-N 0 3 331.504 3.414 20 10 EGCDHN CC(C)[C@H](C(=O)NCCCSc1nccs1)N1CCCCC1 ZINC000733974662 575417072 /nfs/dbraw/zinc/41/70/72/575417072.db2.gz HZBPVPCAPQHCRO-CQSZACIVSA-N 0 3 341.546 3.252 20 10 EGCDHN COc1ccc(O)c(CNCc2cc3c(cc2OC)C[C@H](C)O3)c1 ZINC000734003531 575421406 /nfs/dbraw/zinc/42/14/06/575421406.db2.gz NFZOECUSYMKABK-LBPRGKRZSA-N 0 3 329.396 3.023 20 10 EGCDHN CN1CCC(C[N@H+](C)Cc2c(O)c(C(=O)[O-])cc3ccccc32)CC1 ZINC000737508413 576239844 /nfs/dbraw/zinc/23/98/44/576239844.db2.gz JWDMXRJSIBTDCS-UHFFFAOYSA-N 0 3 342.439 3.017 20 10 EGCDHN CN1CCC(C[N@@H+](C)Cc2c(O)c(C(=O)[O-])cc3ccccc32)CC1 ZINC000737508413 576239847 /nfs/dbraw/zinc/23/98/47/576239847.db2.gz JWDMXRJSIBTDCS-UHFFFAOYSA-N 0 3 342.439 3.017 20 10 EGCDHN Cc1cc(CNCc2ccc(C(N)=O)cc2)c(C)n1-c1ccccc1 ZINC000743675077 576814316 /nfs/dbraw/zinc/81/43/16/576814316.db2.gz RJDINEBCJOGMGE-UHFFFAOYSA-N 0 3 333.435 3.483 20 10 EGCDHN C[C@H](C(=O)NCc1c(O)ccc2c1CCCC2)N1CCCCCC1 ZINC000743718134 576815245 /nfs/dbraw/zinc/81/52/45/576815245.db2.gz ZZVSUCJGURXOGE-OAHLLOKOSA-N 0 3 330.472 3.152 20 10 EGCDHN Cc1cc([O-])c(C[N@@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1C ZINC000744438450 576828439 /nfs/dbraw/zinc/82/84/39/576828439.db2.gz IJUIBIVQTRDKJI-MRXNPFEDSA-N 0 3 334.460 3.450 20 10 EGCDHN Cc1cc([O-])c(C[N@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1C ZINC000744438450 576828440 /nfs/dbraw/zinc/82/84/40/576828440.db2.gz IJUIBIVQTRDKJI-MRXNPFEDSA-N 0 3 334.460 3.450 20 10 EGCDHN C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(Br)cc3[O-])CC[C@@H]21 ZINC000691681809 1298136535 /nfs/dbraw/zinc/13/65/35/1298136535.db2.gz YNKLEKPQSLQXPI-DOMZBBRYSA-N 0 3 339.277 3.071 20 10 EGCDHN C[N@H+]1CCC[C@@H]2CN(Cc3ccc(Br)cc3[O-])CC[C@@H]21 ZINC000691681809 1298136541 /nfs/dbraw/zinc/13/65/41/1298136541.db2.gz YNKLEKPQSLQXPI-DOMZBBRYSA-N 0 3 339.277 3.071 20 10 EGCDHN CC(C)[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000007255789 1291067273 /nfs/dbraw/zinc/06/72/73/1291067273.db2.gz ZZTYCXVJLOHRDD-NRFANRHFSA-N 0 3 339.483 3.356 20 10 EGCDHN CCCN(Cc1ccccc1O)C(=O)NCCN1CCC(C)CC1 ZINC000066699521 1292127482 /nfs/dbraw/zinc/12/74/82/1292127482.db2.gz SBIDZICPMSIWOU-UHFFFAOYSA-N 0 3 333.476 3.046 20 10 EGCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NCc1ccc(F)cc1 ZINC000076074424 1292418902 /nfs/dbraw/zinc/41/89/02/1292418902.db2.gz OGYGCMDDEFMWHA-HNNXBMFYSA-N 0 3 344.430 3.448 20 10 EGCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NCc1ccc(F)cc1 ZINC000076074424 1292418905 /nfs/dbraw/zinc/41/89/05/1292418905.db2.gz OGYGCMDDEFMWHA-HNNXBMFYSA-N 0 3 344.430 3.448 20 10 EGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)CC2 ZINC000834775323 1293145802 /nfs/dbraw/zinc/14/58/02/1293145802.db2.gz YUILSBRKPFRLOY-XJKCOSOUSA-N 0 3 329.362 3.453 20 10 EGCDHN O=C(/C=C/c1ccccc1)NCCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834793493 1293149448 /nfs/dbraw/zinc/14/94/48/1293149448.db2.gz AGERUBVGXQFSKA-HGZMWJMZSA-N 0 3 336.435 3.189 20 10 EGCDHN CNC(=O)C[C@H](C)[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000834898646 1293169723 /nfs/dbraw/zinc/16/97/23/1293169723.db2.gz APUBVGYCFAIKAL-MAUKXSAKSA-N 0 3 326.440 3.180 20 10 EGCDHN CC(C)(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)[C@H]1n1cccn1 ZINC000834902305 1293170322 /nfs/dbraw/zinc/17/03/22/1293170322.db2.gz GPUTZZRJUNSCRR-LORHWOILSA-N 0 3 341.455 3.363 20 10 EGCDHN Cc1ccc(O)c(CNCc2cc3c(cc2OC(F)F)OCO3)c1 ZINC000152629887 1293977964 /nfs/dbraw/zinc/97/79/64/1293977964.db2.gz UBVTZBZHDMAZFR-UHFFFAOYSA-N 0 3 337.322 3.321 20 10 EGCDHN CCOc1cccc(CN2CCN(c3cccc(OC)c3)CC2)c1O ZINC000155979996 1294122576 /nfs/dbraw/zinc/12/25/76/1294122576.db2.gz XXCPKYYMLYPDTH-UHFFFAOYSA-N 0 3 342.439 3.122 20 10 EGCDHN CC(C)N1CCN(c2ccc(C(=O)Nc3ccc(N)cc3)cc2)CC1 ZINC000160455356 1294268912 /nfs/dbraw/zinc/26/89/12/1294268912.db2.gz ZELJSHMVDQNWJD-UHFFFAOYSA-N 0 3 338.455 3.052 20 10 EGCDHN Cc1ccc(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)c([O-])c1O ZINC000177674890 1294686825 /nfs/dbraw/zinc/68/68/25/1294686825.db2.gz JSEOUYIHFNGRFE-UHFFFAOYSA-N 0 3 346.471 3.134 20 10 EGCDHN Cc1ccc(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)c([O-])c1O ZINC000177674890 1294686834 /nfs/dbraw/zinc/68/68/34/1294686834.db2.gz JSEOUYIHFNGRFE-UHFFFAOYSA-N 0 3 346.471 3.134 20 10 EGCDHN Cc1nn(C)cc1[C@@H](C)NCc1ccc(N2CCSCC2)cc1 ZINC000178204464 1294722067 /nfs/dbraw/zinc/72/20/67/1294722067.db2.gz LZVKRFRZWZNIDW-CQSZACIVSA-N 0 3 330.501 3.133 20 10 EGCDHN COC(=O)c1ccc(CN(C)Cc2cc(C)cc(OC)c2O)cc1 ZINC000178853387 1294758312 /nfs/dbraw/zinc/75/83/12/1294758312.db2.gz KXPXQAYPLUDPJW-UHFFFAOYSA-N 0 3 329.396 3.128 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCC(=O)N(C)[C@@H]2CCCC[C@@H]2C)c1 ZINC000182371778 1295041210 /nfs/dbraw/zinc/04/12/10/1295041210.db2.gz RVCLRWQKXHOTEK-GRDNDAEWSA-N 0 3 334.460 3.089 20 10 EGCDHN C[C@@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1cc(F)ccc1[O-] ZINC000184954401 1295231167 /nfs/dbraw/zinc/23/11/67/1295231167.db2.gz OVNDXFKIITUXHJ-CYBMUJFWSA-N 0 3 326.375 3.022 20 10 EGCDHN C[C@@H]([NH2+]C[C@H](NC(=O)OC(C)(C)C)C1CC1)c1cc(F)ccc1[O-] ZINC000186201040 1295311872 /nfs/dbraw/zinc/31/18/72/1295311872.db2.gz BTEQMSLWLILCDR-ABAIWWIYSA-N 0 3 338.423 3.485 20 10 EGCDHN CCCN1CCC([NH2+]Cc2cc(Br)ccc2[O-])CC1 ZINC000227435198 1296143738 /nfs/dbraw/zinc/14/37/38/1296143738.db2.gz WTNQAHLHBLSTBR-UHFFFAOYSA-N 0 3 327.266 3.119 20 10 EGCDHN Cc1cc(CNCc2cccc(C(N)=O)c2)c(C)n1-c1ccccc1 ZINC000326662403 1297240272 /nfs/dbraw/zinc/24/02/72/1297240272.db2.gz FSXPPMFTUSAXGO-UHFFFAOYSA-N 0 3 333.435 3.483 20 10 EGCDHN Cc1c(CNCc2ccc(N3CCOCC3)cc2)cccc1[N+](=O)[O-] ZINC000327526943 1297250406 /nfs/dbraw/zinc/25/04/06/1297250406.db2.gz NDPBBWXSJVDVAM-UHFFFAOYSA-N 0 3 341.411 3.030 20 10 EGCDHN CCOc1ccc(O)c(CN[C@H](CC(=O)N(C)C)c2ccccc2)c1 ZINC000725846424 1298373531 /nfs/dbraw/zinc/37/35/31/1298373531.db2.gz IIUSRFDPQPOWTH-GOSISDBHSA-N 0 3 342.439 3.100 20 10 EGCDHN Cc1ccc(C[NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000877574387 1299409343 /nfs/dbraw/zinc/40/93/43/1299409343.db2.gz HVZODKFZYBFQQH-ZBFHGGJFSA-N 0 3 334.460 3.484 20 10 EGCDHN Cc1cccc(C(=O)NC2CC[NH+](Cc3cc(F)ccc3[O-])CC2)c1 ZINC000877694986 1299488240 /nfs/dbraw/zinc/48/82/40/1299488240.db2.gz WDUUJGZAXUOGAU-UHFFFAOYSA-N 0 3 342.414 3.234 20 10 EGCDHN C[C@@H]([NH2+][C@@H](C)CCCOc1ccccc1C(N)=O)c1ccccc1[O-] ZINC000877755617 1299531254 /nfs/dbraw/zinc/53/12/54/1299531254.db2.gz IGZKLJWFWYEKTM-LSDHHAIUSA-N 0 3 342.439 3.389 20 10 EGCDHN C[C@H]1C[C@@H]([NH2+]CCc2cn3c(n2)CCCC3)c2c1c(F)ccc2[O-] ZINC000756402660 1300484839 /nfs/dbraw/zinc/48/48/39/1300484839.db2.gz NOFMYBUXIGPQCK-SWLSCSKDSA-N 0 3 329.419 3.445 20 10 EGCDHN Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000756458932 1300497816 /nfs/dbraw/zinc/49/78/16/1300497816.db2.gz LOCODJKLTLMXSY-HOCLYGCPSA-N 0 3 333.403 3.239 20 10 EGCDHN C[C@H]1C[C@H]([NH2+]C2CCN(CC(F)F)CC2)c2c1c(F)ccc2[O-] ZINC000756501698 1300508320 /nfs/dbraw/zinc/50/83/20/1300508320.db2.gz FZJRWWAMVBLAII-GWCFXTLKSA-N 0 3 328.378 3.399 20 10 EGCDHN COCCCN1CCC([NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)CC1 ZINC000756527981 1300515160 /nfs/dbraw/zinc/51/51/60/1300515160.db2.gz LMLXRSHVTUFOGO-XJKSGUPXSA-N 0 3 336.451 3.170 20 10 EGCDHN C[C@H]1C[C@@H]([NH2+]Cc2cccc(-n3cncn3)c2)c2c1c(F)ccc2[O-] ZINC000756587775 1300526585 /nfs/dbraw/zinc/52/65/85/1300526585.db2.gz CKYXNOISUVUKNU-BLLLJJGKSA-N 0 3 338.386 3.450 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+]CC(=O)NCCc2ccccc2)c2c1c(F)ccc2[O-] ZINC000756818548 1300570214 /nfs/dbraw/zinc/57/02/14/1300570214.db2.gz PPCHBXVRNWSEQI-CZUORRHYSA-N 0 3 342.414 3.028 20 10 EGCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)N[C@H]1CCOc2ccccc21 ZINC000879649146 1300649628 /nfs/dbraw/zinc/64/96/28/1300649628.db2.gz MTZXFFYKMFRJNJ-CPUCHLNUSA-N 0 3 340.423 3.071 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+]C2CCN(c3cccnn3)CC2)c2c1c(F)ccc2[O-] ZINC000760048218 1301213530 /nfs/dbraw/zinc/21/35/30/1301213530.db2.gz RRTQIRYFJUTOTG-IUODEOHRSA-N 0 3 342.418 3.128 20 10 EGCDHN CCC(CC)(CC(=O)OC)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000761208257 1301421882 /nfs/dbraw/zinc/42/18/82/1301421882.db2.gz WMZDVWHROPCWEB-UHFFFAOYSA-N 0 3 329.824 3.266 20 10 EGCDHN CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000765994653 1302364589 /nfs/dbraw/zinc/36/45/89/1302364589.db2.gz QLXLEOJTGQWLRD-XJKCOSOUSA-N 0 3 326.868 3.023 20 10 EGCDHN COc1cc(CN2CCN(c3ccc(F)cc3)CC2)c(O)cc1C ZINC000768437715 1302901360 /nfs/dbraw/zinc/90/13/60/1302901360.db2.gz DVYNFDKZBLZBHV-UHFFFAOYSA-N 0 3 330.403 3.171 20 10 EGCDHN Oc1ccccc1N1CCN(Cc2cc3c(cc2O)CCCC3)CC1 ZINC000768442561 1302904936 /nfs/dbraw/zinc/90/49/36/1302904936.db2.gz SSRNSRFKKLTSOO-UHFFFAOYSA-N 0 3 338.451 3.299 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]1c1cccc(F)c1)[C@@H](O)CO2 ZINC000768442597 1302905028 /nfs/dbraw/zinc/90/50/28/1302905028.db2.gz MGNMDXSPRNZKSL-WMZOPIPTSA-N 0 3 329.371 3.294 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]1c1cccc(F)c1)[C@@H](O)CO2 ZINC000768442597 1302905033 /nfs/dbraw/zinc/90/50/33/1302905033.db2.gz MGNMDXSPRNZKSL-WMZOPIPTSA-N 0 3 329.371 3.294 20 10 EGCDHN C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768447906 1302908352 /nfs/dbraw/zinc/90/83/52/1302908352.db2.gz RKJWBHAYWHBBIG-TVZGQMOCSA-N 0 3 343.398 3.335 20 10 EGCDHN C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768447906 1302908359 /nfs/dbraw/zinc/90/83/59/1302908359.db2.gz RKJWBHAYWHBBIG-TVZGQMOCSA-N 0 3 343.398 3.335 20 10 EGCDHN CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OCC)cc2[O-])C1 ZINC000769210848 1303071784 /nfs/dbraw/zinc/07/17/84/1303071784.db2.gz UIUJRBPBNMEUSP-NVXWUHKLSA-N 0 3 348.487 3.308 20 10 EGCDHN CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(OCC)cc2[O-])C1 ZINC000769210848 1303071786 /nfs/dbraw/zinc/07/17/86/1303071786.db2.gz UIUJRBPBNMEUSP-NVXWUHKLSA-N 0 3 348.487 3.308 20 10 EGCDHN CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1cc([O-])cs1 ZINC000769342104 1303097001 /nfs/dbraw/zinc/09/70/01/1303097001.db2.gz ZMTPSZYSVUPFJP-UHFFFAOYSA-N 0 3 338.395 3.190 20 10 EGCDHN CCN(CC)CCN(CCC(F)(F)F)C(=O)C1=CC(=O)CS1 ZINC000769342104 1303097007 /nfs/dbraw/zinc/09/70/07/1303097007.db2.gz ZMTPSZYSVUPFJP-UHFFFAOYSA-N 0 3 338.395 3.190 20 10 EGCDHN CCc1ccc(N2CCN(Cc3c(O)cccc3OC)CC2)cc1 ZINC000769498049 1303127284 /nfs/dbraw/zinc/12/72/84/1303127284.db2.gz KNEFTMQOVUWNBW-UHFFFAOYSA-N 0 3 326.440 3.285 20 10 EGCDHN CCN1CCN(c2cccc(NC(=O)c3cccc(C)c3O)c2)CC1 ZINC000770146343 1303229148 /nfs/dbraw/zinc/22/91/48/1303229148.db2.gz HFJGJAXJYNDIAD-UHFFFAOYSA-N 0 3 339.439 3.095 20 10 EGCDHN COc1cc(Br)cc(C[NH2+]C[C@@H]2CCO[C@H](C)C2)c1[O-] ZINC000770745936 1303313494 /nfs/dbraw/zinc/31/34/94/1303313494.db2.gz JYJVJDSRNBJNKS-GHMZBOCLSA-N 0 3 344.249 3.068 20 10 EGCDHN CN1CCN(c2ccc(CNC3(c4ccccc4F)CC3)cc2)CC1 ZINC000771840920 1303448797 /nfs/dbraw/zinc/44/87/97/1303448797.db2.gz HTSRRGNGCQTXHB-UHFFFAOYSA-N 0 3 339.458 3.356 20 10 EGCDHN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000772827790 1303583599 /nfs/dbraw/zinc/58/35/99/1303583599.db2.gz KAITVLSAWLBYRM-OXJNMPFZSA-N 0 3 337.467 3.389 20 10 EGCDHN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000772827790 1303583606 /nfs/dbraw/zinc/58/36/06/1303583606.db2.gz KAITVLSAWLBYRM-OXJNMPFZSA-N 0 3 337.467 3.389 20 10 EGCDHN COC(=O)N1CC(N[C@H](C)c2ccc(N3CCCCCC3)cc2)C1 ZINC000773071119 1303617967 /nfs/dbraw/zinc/61/79/67/1303617967.db2.gz JMMCZCPDEBLZFI-OAHLLOKOSA-N 0 3 331.460 3.168 20 10 EGCDHN COc1ccc(O)c([C@H](C)N[C@H](C)C(=O)c2c[nH]c3ncccc23)c1 ZINC000775371156 1303948519 /nfs/dbraw/zinc/94/85/19/1303948519.db2.gz UYXQKYMXQKNLEY-NWDGAFQWSA-N 0 3 339.395 3.199 20 10 EGCDHN CC(C)(C)OC(=O)NC[C@H]1CCCCN1Cc1cc(F)ccc1O ZINC000779003849 1304517110 /nfs/dbraw/zinc/51/71/10/1304517110.db2.gz ZYFBZHUZMKFCHI-OAHLLOKOSA-N 0 3 338.423 3.411 20 10 EGCDHN CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000779003492 1304517598 /nfs/dbraw/zinc/51/75/98/1304517598.db2.gz VCBGOPCXFYPDCK-CYBMUJFWSA-N 0 3 338.423 3.268 20 10 EGCDHN CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000779003492 1304517600 /nfs/dbraw/zinc/51/76/00/1304517600.db2.gz VCBGOPCXFYPDCK-CYBMUJFWSA-N 0 3 338.423 3.268 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](C2CC2)N(C)C)c1[O-] ZINC000779004223 1304517606 /nfs/dbraw/zinc/51/76/06/1304517606.db2.gz PBDMBMLVVIKLKY-IAQYHMDHSA-N 0 3 341.293 3.454 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCN2CC[C@@H](C)C2)c1[O-] ZINC000779027727 1304520367 /nfs/dbraw/zinc/52/03/67/1304520367.db2.gz UBYJLMMMHCBOPA-DGCLKSJQSA-N 0 3 341.293 3.456 20 10 EGCDHN CCOc1ccc(C[NH+]2CCC(C)(c3nc(C)no3)CC2)c([O-])c1 ZINC000781528545 1304839662 /nfs/dbraw/zinc/83/96/62/1304839662.db2.gz CIEFVEXOCRPZGS-UHFFFAOYSA-N 0 3 331.416 3.036 20 10 EGCDHN CCC[N@H+](CCOc1ccccc1C(=O)OC)Cc1ccccc1[O-] ZINC000782478759 1304981210 /nfs/dbraw/zinc/98/12/10/1304981210.db2.gz ISVDFKMTMGGCRJ-UHFFFAOYSA-N 0 3 343.423 3.470 20 10 EGCDHN CCC[N@@H+](CCOc1ccccc1C(=O)OC)Cc1ccccc1[O-] ZINC000782478759 1304981215 /nfs/dbraw/zinc/98/12/15/1304981215.db2.gz ISVDFKMTMGGCRJ-UHFFFAOYSA-N 0 3 343.423 3.470 20 10 EGCDHN CCOc1ccc(CN2CCC[C@](OC)(C(F)(F)F)C2)c(O)c1 ZINC000783718099 1305131299 /nfs/dbraw/zinc/13/12/99/1305131299.db2.gz OSOINXYDMDMRGS-OAHLLOKOSA-N 0 3 333.350 3.334 20 10 EGCDHN CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(OC)c(OC)c2[O-])C12CCC2 ZINC000892230137 1305288314 /nfs/dbraw/zinc/28/83/14/1305288314.db2.gz WCBNXFLLAXZIIB-CVEARBPZSA-N 0 3 335.444 3.189 20 10 EGCDHN CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(OC)c(OC)c2[O-])C12CCC2 ZINC000892230137 1305288321 /nfs/dbraw/zinc/28/83/21/1305288321.db2.gz WCBNXFLLAXZIIB-CVEARBPZSA-N 0 3 335.444 3.189 20 10 EGCDHN CCn1cccc(CNCc2ccc(N3CCCCC3)cc2)c1=O ZINC000788523530 1305962731 /nfs/dbraw/zinc/96/27/31/1305962731.db2.gz DVGDRCWYASGIMH-UHFFFAOYSA-N 0 3 325.456 3.148 20 10 EGCDHN CCOc1ccc(C[NH2+][C@H](CN(C)C)c2ccc(OC)cc2)c([O-])c1 ZINC000790651087 1306369145 /nfs/dbraw/zinc/36/91/45/1306369145.db2.gz CDEMLFVDODNTCB-LJQANCHMSA-N 0 3 344.455 3.192 20 10 EGCDHN CCC[C@]1(CO)CC[N@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000809790195 1317901506 /nfs/dbraw/zinc/90/15/06/1317901506.db2.gz CEMHWTKMAFSEOQ-INIZCTEOSA-N 0 3 342.277 3.448 20 10 EGCDHN CCC[C@]1(CO)CC[N@@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000809790195 1317901512 /nfs/dbraw/zinc/90/15/12/1317901512.db2.gz CEMHWTKMAFSEOQ-INIZCTEOSA-N 0 3 342.277 3.448 20 10 EGCDHN COC(=O)C[C@H]1CCCN1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792830034 1309239551 /nfs/dbraw/zinc/23/95/51/1309239551.db2.gz UKYZECVTFQAODC-CQSZACIVSA-N 0 3 344.377 3.299 20 10 EGCDHN Oc1cc(Cl)cc(CNCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000895451891 1309343520 /nfs/dbraw/zinc/34/35/20/1309343520.db2.gz UFQXIQICGZWXJO-UHFFFAOYSA-N 0 3 346.858 3.297 20 10 EGCDHN COc1ccc(C[NH2+]C2CCN(c3ccc(F)cc3F)CC2)c([O-])c1 ZINC000793385601 1309361189 /nfs/dbraw/zinc/36/11/89/1309361189.db2.gz COPJALZXOFUINZ-UHFFFAOYSA-N 0 3 348.393 3.438 20 10 EGCDHN CN1CCN(c2ccc(C[NH2+]Cc3cccc(Cl)c3[O-])cc2)CC1 ZINC000895607370 1309426541 /nfs/dbraw/zinc/42/65/41/1309426541.db2.gz NZEPVKHGGUCVTM-UHFFFAOYSA-N 0 3 345.874 3.087 20 10 EGCDHN Cc1ccc([C@@H]2CC[N@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)c(C)c1 ZINC000794660582 1309566383 /nfs/dbraw/zinc/56/63/83/1309566383.db2.gz GQFGKCKVLAGGLJ-QRWLVFNGSA-N 0 3 339.435 3.424 20 10 EGCDHN Cc1ccc([C@@H]2CC[N@@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)c(C)c1 ZINC000794660582 1309566388 /nfs/dbraw/zinc/56/63/88/1309566388.db2.gz GQFGKCKVLAGGLJ-QRWLVFNGSA-N 0 3 339.435 3.424 20 10 EGCDHN Cc1cc(CN2C[C@@H](C)O[C@]3(CCOC3)C2)c(O)c(C(C)(C)C)c1 ZINC000794702272 1309577484 /nfs/dbraw/zinc/57/74/84/1309577484.db2.gz JQMRPXOGLAMXQO-FOIQADDNSA-N 0 3 333.472 3.378 20 10 EGCDHN CC[C@H]([NH2+]Cc1ccc2c(c1)CCS2(=O)=O)c1ccc(C)cc1[O-] ZINC000794820262 1309601452 /nfs/dbraw/zinc/60/14/52/1309601452.db2.gz ZUTBHWCEYJPJNJ-KRWDZBQOSA-N 0 3 345.464 3.271 20 10 EGCDHN CN(C)c1ccc([C@H](CNCc2ncc(Cl)s2)N(C)C)cc1 ZINC000898449690 1310740451 /nfs/dbraw/zinc/74/04/51/1310740451.db2.gz JFHAQFMQGBSVGZ-AWEZNQCLSA-N 0 3 338.908 3.255 20 10 EGCDHN CN(C)c1ccc([C@@H](CNCc2ncc(Cl)s2)N(C)C)cc1 ZINC000898449691 1310740992 /nfs/dbraw/zinc/74/09/92/1310740992.db2.gz JFHAQFMQGBSVGZ-CQSZACIVSA-N 0 3 338.908 3.255 20 10 EGCDHN C[C@H]([NH2+]CCCNC(=O)/C=C\c1ccccc1)c1cc(F)ccc1[O-] ZINC000800505172 1310772646 /nfs/dbraw/zinc/77/26/46/1310772646.db2.gz IIGBJPAOZJNIDT-QIENPNARSA-N 0 3 342.414 3.402 20 10 EGCDHN CCCCN(CC(=O)NCc1ccccc1)Cc1ccccc1O ZINC000801599273 1310972824 /nfs/dbraw/zinc/97/28/24/1310972824.db2.gz IKVFJMGYYJJWQA-UHFFFAOYSA-N 0 3 326.440 3.311 20 10 EGCDHN CN(C)C(=O)O[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000824615599 1320271326 /nfs/dbraw/zinc/27/13/26/1320271326.db2.gz JDTJKNJGNIPFTA-OAHLLOKOSA-N 0 3 328.412 3.208 20 10 EGCDHN CN(C)C(=O)O[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000824615599 1320271330 /nfs/dbraw/zinc/27/13/30/1320271330.db2.gz JDTJKNJGNIPFTA-OAHLLOKOSA-N 0 3 328.412 3.208 20 10 EGCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1Cl ZINC000825710297 1320357482 /nfs/dbraw/zinc/35/74/82/1320357482.db2.gz LMSOKWZIUWQFRU-HZMBPMFUSA-N 0 3 337.769 3.489 20 10 EGCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1Cl ZINC000825710297 1320357486 /nfs/dbraw/zinc/35/74/86/1320357486.db2.gz LMSOKWZIUWQFRU-HZMBPMFUSA-N 0 3 337.769 3.489 20 10 EGCDHN COc1cccc([O-])c1C[NH2+]CCc1cccc(Br)c1 ZINC000839150292 1320881247 /nfs/dbraw/zinc/88/12/47/1320881247.db2.gz WDMRNNRCUCPULI-UHFFFAOYSA-N 0 3 336.229 3.496 20 10 EGCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(C)cn3)C2)c([O-])c1 ZINC000858011714 1328657267 /nfs/dbraw/zinc/65/72/67/1328657267.db2.gz RDNPYYPPQLYNFB-QGZVFWFLSA-N 0 3 328.412 3.148 20 10 EGCDHN CCOc1ccc(C[N@H+]2CC[C@@H](Oc3ccc(C)cn3)C2)c([O-])c1 ZINC000858011714 1328657270 /nfs/dbraw/zinc/65/72/70/1328657270.db2.gz RDNPYYPPQLYNFB-QGZVFWFLSA-N 0 3 328.412 3.148 20 10 EGCDHN CC[C@@H](C[NH2+]Cc1c([O-])cccc1Br)N1CCCC1 ZINC000858093874 1328680430 /nfs/dbraw/zinc/68/04/30/1328680430.db2.gz ATKKBRTUZHZSMB-LBPRGKRZSA-N 0 3 327.266 3.119 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC[C@@H](O)C2CC2)c1[O-] ZINC000903407863 1317697551 /nfs/dbraw/zinc/69/75/51/1317697551.db2.gz QUEPJWLAUNESFK-IINYFYTJSA-N 0 3 328.250 3.275 20 10 EGCDHN CO[C@@H](C)[C@@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000810257188 1317988176 /nfs/dbraw/zinc/98/81/76/1317988176.db2.gz MSBUITMWFFOGGZ-MCIONIFRSA-N 0 3 326.868 3.251 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N(c3ccccc3F)C2)c([O-])c1 ZINC000812741558 1318447939 /nfs/dbraw/zinc/44/79/39/1318447939.db2.gz VGHLKZALWQHIJP-UONOGXRCSA-N 0 3 328.387 3.296 20 10 EGCDHN Cc1ccc(O)c([C@@H](C)NCc2cc(C)nc(N3CCCC3)n2)c1 ZINC000813885639 1318651832 /nfs/dbraw/zinc/65/18/32/1318651832.db2.gz PLAFQDNFDNPBDT-OAHLLOKOSA-N 0 3 326.444 3.250 20 10 EGCDHN COC(=O)N1CC([NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])C1 ZINC000815597457 1319023838 /nfs/dbraw/zinc/02/38/38/1319023838.db2.gz WJKBDFHCYSAIQF-SFHVURJKSA-N 0 3 340.423 3.106 20 10 EGCDHN [O-]c1c(C[NH+]2CCN(Cc3ccncc3)CC2)ccc2ccccc21 ZINC000816564349 1319184939 /nfs/dbraw/zinc/18/49/39/1319184939.db2.gz CCTPEMYGSFJOPB-UHFFFAOYSA-N 0 3 333.435 3.258 20 10 EGCDHN C[C@H]([NH2+]C[C@@H]1CCCCN1)c1cc(Br)c(F)cc1[O-] ZINC000817949841 1319473826 /nfs/dbraw/zinc/47/38/26/1319473826.db2.gz NZORIFPIRSFFLM-UWVGGRQHSA-N 0 3 331.229 3.087 20 10 EGCDHN C[C@H](NC[C@@H]1CCCC[NH2+]1)c1cc(Br)c(F)cc1[O-] ZINC000817949841 1319473832 /nfs/dbraw/zinc/47/38/32/1319473832.db2.gz NZORIFPIRSFFLM-UWVGGRQHSA-N 0 3 331.229 3.087 20 10 EGCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1C[C@H](F)CN1 ZINC000817975823 1319482712 /nfs/dbraw/zinc/48/27/12/1319482712.db2.gz CVAFPKAPGAIMDW-JENIJYKNSA-N 0 3 328.431 3.356 20 10 EGCDHN CN(C)c1ncc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)n1C ZINC000822442625 1320082642 /nfs/dbraw/zinc/08/26/42/1320082642.db2.gz GALJRFVVEGKWRD-UHFFFAOYSA-N 0 3 328.460 3.137 20 10 EGCDHN CN(C)c1ncc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)n1C ZINC000822442625 1320082647 /nfs/dbraw/zinc/08/26/47/1320082647.db2.gz GALJRFVVEGKWRD-UHFFFAOYSA-N 0 3 328.460 3.137 20 10 EGCDHN [O-]c1c(F)cccc1CN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000822502904 1320089354 /nfs/dbraw/zinc/08/93/54/1320089354.db2.gz AQVSDFAKPZTXEK-QFBILLFUSA-N 0 3 326.415 3.238 20 10 EGCDHN [O-]c1c(F)cccc1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000822502904 1320089358 /nfs/dbraw/zinc/08/93/58/1320089358.db2.gz AQVSDFAKPZTXEK-QFBILLFUSA-N 0 3 326.415 3.238 20 10 EGCDHN CN(Cc1cccs1)c1ccc(CNCc2cnn(C)c2)cc1 ZINC000823699009 1320198440 /nfs/dbraw/zinc/19/84/40/1320198440.db2.gz YPTPPBLISJUDHT-UHFFFAOYSA-N 0 3 326.469 3.408 20 10 EGCDHN C[C@@H]1CC(=O)NCCN1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824395851 1320254528 /nfs/dbraw/zinc/25/45/28/1320254528.db2.gz KAKBLQMFTAUDCQ-OAHLLOKOSA-N 0 3 343.496 3.095 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]CCC1(CO)CC1 ZINC000825040469 1320306143 /nfs/dbraw/zinc/30/61/43/1320306143.db2.gz LBLZMNYCFZEVLN-UHFFFAOYSA-N 0 3 327.424 3.223 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)CN2CCC(C)CC2)c1[O-] ZINC000827352829 1320447220 /nfs/dbraw/zinc/44/72/20/1320447220.db2.gz QXDATRZQSWQTBH-ZDUSSCGKSA-N 0 3 326.868 3.264 20 10 EGCDHN Cc1cc(CN[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)no1 ZINC000838945995 1320839380 /nfs/dbraw/zinc/83/93/80/1320839380.db2.gz VTWPZDRCODMFQU-HNNXBMFYSA-N 0 3 335.835 3.096 20 10 EGCDHN O=C1NCCC[C@@H]1C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000840825743 1321157254 /nfs/dbraw/zinc/15/72/54/1321157254.db2.gz KFTUMUDQDLVASB-MJGOQNOKSA-N 0 3 338.451 3.182 20 10 EGCDHN NC(=O)OC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000840862952 1321164599 /nfs/dbraw/zinc/16/45/99/1321164599.db2.gz CSQSBDRZAGNXOF-HZPDHXFCSA-N 0 3 326.396 3.090 20 10 EGCDHN NC[C@H]([NH2+]Cc1cc(Br)ccc1[O-])C1CCCCC1 ZINC000841039154 1321206483 /nfs/dbraw/zinc/20/64/83/1321206483.db2.gz CODFWLYQAFCYSP-AWEZNQCLSA-N 0 3 327.266 3.152 20 10 EGCDHN COCCCN1CCC([NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000841746109 1321305409 /nfs/dbraw/zinc/30/54/09/1321305409.db2.gz CHNJHSOPGBNLRG-ZDUSSCGKSA-N 0 3 326.868 3.197 20 10 EGCDHN C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(Cl)cc1[O-] ZINC000841757263 1321307756 /nfs/dbraw/zinc/30/77/56/1321307756.db2.gz CTJIEDPXNTWKJS-KBPBESRZSA-N 0 3 338.879 3.197 20 10 EGCDHN C[C@@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1ccc(N2CCNC2=O)cc1 ZINC000842900530 1321447846 /nfs/dbraw/zinc/44/78/46/1321447846.db2.gz IBXZAODRKVXCOW-CXAGYDPISA-N 0 3 337.423 3.260 20 10 EGCDHN CCCN(Cc1cc(C)cc(Br)c1[O-])[C@@H]1CC[NH2+]C1 ZINC000843052487 1321461931 /nfs/dbraw/zinc/46/19/31/1321461931.db2.gz MNSKZLWNFYCCFY-CYBMUJFWSA-N 0 3 327.266 3.037 20 10 EGCDHN CC[N@H+](CCSC)Cc1cc(Br)cc(OC)c1[O-] ZINC000843437676 1321518730 /nfs/dbraw/zinc/51/87/30/1321518730.db2.gz UTIBKSLGFYKVKD-UHFFFAOYSA-N 0 3 334.279 3.348 20 10 EGCDHN CC[N@@H+](CCSC)Cc1cc(Br)cc(OC)c1[O-] ZINC000843437676 1321518733 /nfs/dbraw/zinc/51/87/33/1321518733.db2.gz UTIBKSLGFYKVKD-UHFFFAOYSA-N 0 3 334.279 3.348 20 10 EGCDHN COc1cccc([C@@H](C)N[C@@H]2CCN(c3ccc(C)cc3)C2=O)c1O ZINC000846153782 1321771931 /nfs/dbraw/zinc/77/19/31/1321771931.db2.gz IIGPSQLFSMNHCY-RHSMWYFYSA-N 0 3 340.423 3.165 20 10 EGCDHN COc1cc(Cl)cc(CNc2ccc([C@H]3CNCCO3)cc2)c1O ZINC000849351599 1322116893 /nfs/dbraw/zinc/11/68/93/1322116893.db2.gz ANICJIZAVPOEKY-QGZVFWFLSA-N 0 3 348.830 3.327 20 10 EGCDHN C[C@@H]([NH2+]Cc1ccc(N2CCCNC2=O)cc1)c1cc(F)ccc1[O-] ZINC000850574323 1322270633 /nfs/dbraw/zinc/27/06/33/1322270633.db2.gz DJZFIAHMIJCACI-CYBMUJFWSA-N 0 3 343.402 3.302 20 10 EGCDHN COc1ccc([C@H](CCO)NCc2ccc3c(c2)CCCO3)cc1 ZINC000921942627 1322426782 /nfs/dbraw/zinc/42/67/82/1322426782.db2.gz VJFXMTMRNIRPRV-IBGZPJMESA-N 0 3 327.424 3.234 20 10 EGCDHN [O-]c1ccccc1C[N@@H+](Cc1cccc2n[nH]cc21)C[C@H]1CCCO1 ZINC000862212498 1329466231 /nfs/dbraw/zinc/46/62/31/1329466231.db2.gz IVFJDQWPZCWIHJ-QGZVFWFLSA-N 0 3 337.423 3.450 20 10 EGCDHN [O-]c1ccccc1C[N@H+](Cc1cccc2n[nH]cc21)C[C@H]1CCCO1 ZINC000862212498 1329466234 /nfs/dbraw/zinc/46/62/34/1329466234.db2.gz IVFJDQWPZCWIHJ-QGZVFWFLSA-N 0 3 337.423 3.450 20 10 EGCDHN CN1CCC[C@@H]1C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000862473423 1329489334 /nfs/dbraw/zinc/48/93/34/1329489334.db2.gz QCLSLMBSXOZUIP-GOSISDBHSA-N 0 3 326.440 3.155 20 10 EGCDHN CC(C)(C)OC(=O)N[C@@H](C[NH2+]Cc1ccccc1[O-])CC(F)(F)F ZINC000865442729 1329697944 /nfs/dbraw/zinc/69/79/44/1329697944.db2.gz QUSGCCBTMQAXHS-GFCCVEGCSA-N 0 3 348.365 3.328 20 10 EGCDHN C[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])[C@@H](O)C(F)(F)F ZINC000865712277 1329731718 /nfs/dbraw/zinc/73/17/18/1329731718.db2.gz YUJMVSWEGSCADJ-BDJLRTHQSA-N 0 3 325.330 3.461 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@@](C)(O)[C@H](C)C2)c1[O-] ZINC001233106781 1376570503 /nfs/dbraw/zinc/57/05/03/1376570503.db2.gz NPCPSNPYOXBHCJ-MLGOLLRUSA-N 0 3 342.277 3.446 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@@](C)(O)[C@H](C)C2)c1[O-] ZINC001233106781 1376570508 /nfs/dbraw/zinc/57/05/08/1376570508.db2.gz NPCPSNPYOXBHCJ-MLGOLLRUSA-N 0 3 342.277 3.446 20 10 EGCDHN COCCOc1ncccc1CN[C@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001325339963 1387941141 /nfs/dbraw/zinc/94/11/41/1387941141.db2.gz MESQAUNSHDYMAJ-ZBFHGGJFSA-N 0 3 342.439 3.459 20 10 EGCDHN O=C1NC2(C[C@@H]1c1ccccc1)CC[NH+](Cc1ccccc1[O-])CC2 ZINC001203552657 1370167684 /nfs/dbraw/zinc/16/76/84/1370167684.db2.gz PODUDYNAHDHAMJ-GOSISDBHSA-N 0 3 336.435 3.031 20 10 EGCDHN COc1ccc(C[N@@H+]2CCC[C@@H](Oc3ccccc3OC)C2)c([O-])c1 ZINC001203630983 1370194073 /nfs/dbraw/zinc/19/40/73/1370194073.db2.gz YILRJHNXVXFDSC-QGZVFWFLSA-N 0 3 343.423 3.453 20 10 EGCDHN COc1ccc(C[N@H+]2CCC[C@@H](Oc3ccccc3OC)C2)c([O-])c1 ZINC001203630983 1370194075 /nfs/dbraw/zinc/19/40/75/1370194075.db2.gz YILRJHNXVXFDSC-QGZVFWFLSA-N 0 3 343.423 3.453 20 10 EGCDHN CCOC(=O)C1(C(C)C)CC[NH+](Cc2ccc(OC)cc2[O-])CC1 ZINC001203634631 1370195032 /nfs/dbraw/zinc/19/50/32/1370195032.db2.gz OMDBCQBVYSNYQS-UHFFFAOYSA-N 0 3 335.444 3.202 20 10 EGCDHN CCOc1ccc(N2CCN(Cc3ccc(OC)cc3O)CC2)cc1 ZINC001203634500 1370195116 /nfs/dbraw/zinc/19/51/16/1370195116.db2.gz JGVMYFKGPBIQFC-UHFFFAOYSA-N 0 3 342.439 3.122 20 10 EGCDHN COc1ccc(C[N@@H+]2CCC[C@H](Oc3cccc(C)n3)C2)c([O-])c1 ZINC001203635015 1370195293 /nfs/dbraw/zinc/19/52/93/1370195293.db2.gz GDHYIIOTWUFIOJ-KRWDZBQOSA-N 0 3 328.412 3.148 20 10 EGCDHN COc1ccc(C[N@H+]2CCC[C@H](Oc3cccc(C)n3)C2)c([O-])c1 ZINC001203635015 1370195296 /nfs/dbraw/zinc/19/52/96/1370195296.db2.gz GDHYIIOTWUFIOJ-KRWDZBQOSA-N 0 3 328.412 3.148 20 10 EGCDHN Oc1ccc(CN2CCN([C@@H]3CCCc4ccccc43)CC2)cc1O ZINC001203879963 1370297091 /nfs/dbraw/zinc/29/70/91/1370297091.db2.gz KXGHJLXEDNVAIO-LJQANCHMSA-N 0 3 338.451 3.293 20 10 EGCDHN COC(=O)C[C@H](C)N(Cc1ccccc1)Cc1ccc(O)c(O)c1 ZINC001203879998 1370297636 /nfs/dbraw/zinc/29/76/36/1370297636.db2.gz IIMRYSBZRXUXSB-AWEZNQCLSA-N 0 3 329.396 3.052 20 10 EGCDHN COc1cccc([C@H]2CCN(Cc3cc(O)c(O)c(OC)c3)C2)c1 ZINC001204348243 1370449715 /nfs/dbraw/zinc/44/97/15/1370449715.db2.gz AKAAHKSZPSMJPX-HNNXBMFYSA-N 0 3 329.396 3.105 20 10 EGCDHN OC[C@]1(C(F)(F)F)CCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001119504721 1371356694 /nfs/dbraw/zinc/35/66/94/1371356694.db2.gz JXNXBXPKRONRPO-INIZCTEOSA-N 0 3 328.378 3.034 20 10 EGCDHN [O-]c1ccc(Br)cc1CN1CCC2(CCCC[NH2+]2)CC1 ZINC001222293248 1373826308 /nfs/dbraw/zinc/82/63/08/1373826308.db2.gz ROWDCWCEFIFOBO-UHFFFAOYSA-N 0 3 339.277 3.263 20 10 EGCDHN Cc1cc(C)c(CN2CCN(c3ccc(Cl)cn3)CC2)c(O)c1 ZINC001231845578 1376325969 /nfs/dbraw/zinc/32/59/69/1376325969.db2.gz BGXYQZMQMWMLCQ-UHFFFAOYSA-N 0 3 331.847 3.380 20 10 EGCDHN CCOC(=O)[C@H]1CN(Cc2cc(C(C)(C)C)ccc2O)CCS1 ZINC001233286589 1376604366 /nfs/dbraw/zinc/60/43/66/1376604366.db2.gz ABENCOKKWQXZKE-MRXNPFEDSA-N 0 3 337.485 3.170 20 10 EGCDHN CCOC(=O)[C@@H]1CCCC[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC001233290064 1376606255 /nfs/dbraw/zinc/60/62/55/1376606255.db2.gz GJUPOWSRFLTJOA-GFCCVEGCSA-N 0 3 341.835 3.219 20 10 EGCDHN CCOC(=O)[C@@H]1CCCC[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC001233290064 1376606260 /nfs/dbraw/zinc/60/62/60/1376606260.db2.gz GJUPOWSRFLTJOA-GFCCVEGCSA-N 0 3 341.835 3.219 20 10 EGCDHN Oc1cc(O)c(CN2CCC(c3nc4ccccc4o3)CC2)cc1O ZINC001233482318 1376652961 /nfs/dbraw/zinc/65/29/61/1376652961.db2.gz JEHAXSRPIPLLJF-UHFFFAOYSA-N 0 3 340.379 3.324 20 10 EGCDHN COc1cc([O-])c(CN2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)c(Cl)c1 ZINC001235222287 1376860805 /nfs/dbraw/zinc/86/08/05/1376860805.db2.gz KBHLGPMDCWJMDJ-MAUKXSAKSA-N 0 3 344.842 3.125 20 10 EGCDHN [O-]c1cccc(F)c1C[NH+]1C[C@@H]2CN(Cc3cccs3)C[C@H]2C1 ZINC001137832629 1377624393 /nfs/dbraw/zinc/62/43/93/1377624393.db2.gz BQHQTNLCEVJEBD-KBPBESRZSA-N 0 3 332.444 3.157 20 10 EGCDHN Oc1c(CN2CC3(C2)CC(F)(F)C3)cc2c3c1CCCN3CCC2 ZINC001138338967 1377705361 /nfs/dbraw/zinc/70/53/61/1377705361.db2.gz YEXBMVKODCNSGB-UHFFFAOYSA-N 0 3 334.410 3.322 20 10 EGCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001140063218 1377999250 /nfs/dbraw/zinc/99/92/50/1377999250.db2.gz NCUNQCKDFQYSSE-PKOBYXMFSA-N 0 3 335.419 3.081 20 10 EGCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001140063218 1377999252 /nfs/dbraw/zinc/99/92/52/1377999252.db2.gz NCUNQCKDFQYSSE-PKOBYXMFSA-N 0 3 335.419 3.081 20 10 EGCDHN Cc1ccc(C)c(CN2CC3(C2)CN(C(=O)OC(C)(C)C)C3)c1O ZINC001140178558 1378026206 /nfs/dbraw/zinc/02/62/06/1378026206.db2.gz ONZPWGFRUABLCB-UHFFFAOYSA-N 0 3 332.444 3.062 20 10 EGCDHN Cc1ccc(C)c(CN2CCN(Cc3ccccc3F)CC2)c1O ZINC001140178889 1378026506 /nfs/dbraw/zinc/02/65/06/1378026506.db2.gz BNHRFIGKHXUXLE-UHFFFAOYSA-N 0 3 328.431 3.466 20 10 EGCDHN [O-]c1cccc(Cl)c1C[NH+]1C[C@H]2CN(Cc3cccnc3)C[C@@H]2C1 ZINC001140338777 1378048566 /nfs/dbraw/zinc/04/85/66/1378048566.db2.gz PEJXSPBXVSENNM-HZPDHXFCSA-N 0 3 343.858 3.004 20 10 EGCDHN Cc1ccc(O)c(CN2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)c1 ZINC001140620428 1378099519 /nfs/dbraw/zinc/09/95/19/1378099519.db2.gz NUPCPLHBHALWMH-JKSUJKDBSA-N 0 3 328.437 3.142 20 10 EGCDHN Fc1cc(N2CCOCC2)ccc1CN1CC[C@H](c2ccccn2)C1 ZINC001140661374 1378109372 /nfs/dbraw/zinc/10/93/72/1378109372.db2.gz CCNZFVDUDRBRKE-KRWDZBQOSA-N 0 3 341.430 3.047 20 10 EGCDHN Cc1ccc(CN2CCCC23CN(C(=O)OC(C)(C)C)C3)c(O)c1 ZINC001140948058 1378188118 /nfs/dbraw/zinc/18/81/18/1378188118.db2.gz RBVHZLYKGRZABJ-UHFFFAOYSA-N 0 3 332.444 3.286 20 10 EGCDHN Cc1ccc(C[N@H+]2CC[C@H]3O[C@@H](COCC(C)C)CC[C@H]32)c([O-])c1 ZINC001140950280 1378190386 /nfs/dbraw/zinc/19/03/86/1378190386.db2.gz POTNSUNUSNJQAF-QWFCFKBJSA-N 0 3 333.472 3.495 20 10 EGCDHN Cc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](COCC(C)C)CC[C@H]32)c([O-])c1 ZINC001140950280 1378190390 /nfs/dbraw/zinc/19/03/90/1378190390.db2.gz POTNSUNUSNJQAF-QWFCFKBJSA-N 0 3 333.472 3.495 20 10 EGCDHN COc1cc([O-])c(C[N@H+](Cc2ccccc2)CC(C)(C)O)c(OC)c1 ZINC001141031001 1378214389 /nfs/dbraw/zinc/21/43/89/1378214389.db2.gz UYTVNTXSKMGYRA-UHFFFAOYSA-N 0 3 345.439 3.183 20 10 EGCDHN COc1cc([O-])c(C[N@@H+](Cc2ccccc2)CC(C)(C)O)c(OC)c1 ZINC001141031001 1378214397 /nfs/dbraw/zinc/21/43/97/1378214397.db2.gz UYTVNTXSKMGYRA-UHFFFAOYSA-N 0 3 345.439 3.183 20 10 EGCDHN CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1c([O-])cc(OC)cc1OC ZINC001141031016 1378214997 /nfs/dbraw/zinc/21/49/97/1378214997.db2.gz VNBSQGUHYCBVMG-UHFFFAOYSA-N 0 3 344.455 3.498 20 10 EGCDHN CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1c([O-])cc(OC)cc1OC ZINC001141031016 1378215002 /nfs/dbraw/zinc/21/50/02/1378215002.db2.gz VNBSQGUHYCBVMG-UHFFFAOYSA-N 0 3 344.455 3.498 20 10 EGCDHN CCOC(=O)[C@H]1CCN(Cc2cccc(C(C)(C)C)c2O)CCC1=O ZINC001143110802 1378542226 /nfs/dbraw/zinc/54/22/26/1378542226.db2.gz PQEVTMLDCYHCBG-HNNXBMFYSA-N 0 3 347.455 3.034 20 10 EGCDHN CCN(CC)CC[N@H+](CC)Cc1cc(Br)c(F)cc1[O-] ZINC001144299890 1378713404 /nfs/dbraw/zinc/71/34/04/1378713404.db2.gz LJSFTEOBJIAZHN-UHFFFAOYSA-N 0 3 347.272 3.458 20 10 EGCDHN CCN(CC)CC[N@@H+](CC)Cc1cc(Br)c(F)cc1[O-] ZINC001144299890 1378713405 /nfs/dbraw/zinc/71/34/05/1378713405.db2.gz LJSFTEOBJIAZHN-UHFFFAOYSA-N 0 3 347.272 3.458 20 10 EGCDHN CN1CCN(c2ccc(CN3CCC[C@H]3c3ccc[nH]3)cc2F)CC1 ZINC001319925143 1386394656 /nfs/dbraw/zinc/39/46/56/1386394656.db2.gz CILDZLMQKBWUAM-FQEVSTJZSA-N 0 3 342.462 3.243 20 10 EGCDHN C[C@H]([NH2+][C@@H]1CCCN(C(=O)c2ccccc2)C1)c1cc(F)ccc1[O-] ZINC001321027029 1386787255 /nfs/dbraw/zinc/78/72/55/1386787255.db2.gz ICAHJKPINALYLD-WMLDXEAASA-N 0 3 342.414 3.487 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1Cc3ccccc3C3(CCC3)C1)[C@H](O)CO2 ZINC001322053481 1387040484 /nfs/dbraw/zinc/04/04/84/1387040484.db2.gz ZUZBIXJEPYFNPO-LJQANCHMSA-N 0 3 337.419 3.256 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1Cc3ccccc3C3(CCC3)C1)[C@H](O)CO2 ZINC001322053481 1387040490 /nfs/dbraw/zinc/04/04/90/1387040490.db2.gz ZUZBIXJEPYFNPO-LJQANCHMSA-N 0 3 337.419 3.256 20 10 EGCDHN COc1cc(C)cc(CN2Cc3ccc(O)cc3C3(CC3)C2)c1O ZINC001331550359 1389796483 /nfs/dbraw/zinc/79/64/83/1389796483.db2.gz YUVVMNPGWAALRD-UHFFFAOYSA-N 0 3 325.408 3.462 20 10 EGCDHN C[C@@H]1OCC[C@@]1(O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC001347669056 1391108962 /nfs/dbraw/zinc/10/89/62/1391108962.db2.gz QHKXBXLYVXAIGE-LDQXTDLNSA-N 0 3 341.451 3.196 20 10 EGCDHN CN(C)c1cc(F)c(CNCC[C@@](C)(O)c2ccccc2)cc1F ZINC001351327552 1391627495 /nfs/dbraw/zinc/62/74/95/1391627495.db2.gz BRIRCHCSNPSCEU-LJQANCHMSA-N 0 3 334.410 3.418 20 10 EGCDHN Cc1cccc(C[C@@H](CO)NCc2cc(F)c(N(C)C)cc2F)c1 ZINC001328703577 1126174248 /nfs/dbraw/zinc/17/42/48/1126174248.db2.gz OHGUZLBUNNTVRP-INIZCTEOSA-N 0 3 334.410 3.032 20 10 EGCDHN Cc1cccc(C[C@H](CO)NCc2cc(F)c(N(C)C)cc2F)c1 ZINC001328703578 1126174357 /nfs/dbraw/zinc/17/43/57/1126174357.db2.gz OHGUZLBUNNTVRP-MRXNPFEDSA-N 0 3 334.410 3.032 20 10 EGCDHN Cc1cc(O)c(CN2CCCN(C(=O)c3ccsc3)CC2)cc1C ZINC000054571499 453935238 /nfs/dbraw/zinc/93/52/38/453935238.db2.gz NNUOPEMMICFGGK-UHFFFAOYSA-N 0 3 344.480 3.419 20 10 EGCDHN CC[C@@H]([NH2+]Cc1cccc(OC)c1[O-])[C@H](O)c1c(F)cccc1F ZINC000266295858 455426073 /nfs/dbraw/zinc/42/60/73/455426073.db2.gz LDTCAXSAGSNLQW-KDOFPFPSSA-N 0 3 337.366 3.281 20 10 EGCDHN CCn1nc(C)c(CN(Cc2ccccc2O)C[C@H]2CCCO2)c1C ZINC000160181790 455434778 /nfs/dbraw/zinc/43/47/78/455434778.db2.gz WXHGEUCUARMBLZ-GOSISDBHSA-N 0 3 343.471 3.407 20 10 EGCDHN CC(C)NC(=O)CCN[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000133792667 454468435 /nfs/dbraw/zinc/46/84/35/454468435.db2.gz PMMOUVYIRIDENX-HNNXBMFYSA-N 0 3 335.467 3.381 20 10 EGCDHN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccc([S@@](C)=O)cc1 ZINC000122457493 454534919 /nfs/dbraw/zinc/53/49/19/454534919.db2.gz IFNDGVHDXKFRHI-ZLOXQWCVSA-N 0 3 334.460 3.480 20 10 EGCDHN Cc1cc(O)c(CN2CCN([C@H](C)c3cccnc3)CC2)cc1C ZINC000093413284 454713726 /nfs/dbraw/zinc/71/37/26/454713726.db2.gz XLALZZBPLUAWPY-QGZVFWFLSA-N 0 3 325.456 3.283 20 10 EGCDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)c1ccccc1)C[C@@H]1CCCO1 ZINC000111233004 454858929 /nfs/dbraw/zinc/85/89/29/454858929.db2.gz KPSRRIBWILTMJS-AZUAARDMSA-N 0 3 327.424 3.107 20 10 EGCDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)c1ccccc1)C[C@@H]1CCCO1 ZINC000111233004 454858931 /nfs/dbraw/zinc/85/89/31/454858931.db2.gz KPSRRIBWILTMJS-AZUAARDMSA-N 0 3 327.424 3.107 20 10 EGCDHN C[C@@H](N[C@@H]1CCCCNC1=O)c1ccc(N2CCCCCC2)cc1 ZINC000177875261 454915125 /nfs/dbraw/zinc/91/51/25/454915125.db2.gz KAFNXQGTSJGUDV-VQIMIIECSA-N 0 3 329.488 3.386 20 10 EGCDHN CCn1cc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cn1 ZINC000113359167 454924223 /nfs/dbraw/zinc/92/42/23/454924223.db2.gz CIMBOHUTKWHPNK-KRWDZBQOSA-N 0 3 348.878 3.016 20 10 EGCDHN CN(CC1CC[NH+](Cc2ccccc2[O-])CC1)C(=O)OC(C)(C)C ZINC000179570540 455059854 /nfs/dbraw/zinc/05/98/54/455059854.db2.gz IHELJJCGBYXEDC-UHFFFAOYSA-N 0 3 334.460 3.471 20 10 EGCDHN COc1ccc(O)c(CN2CCC(C(=O)c3ccccc3)CC2)c1 ZINC000179652202 455064415 /nfs/dbraw/zinc/06/44/15/455064415.db2.gz RFBJSVHNVWTEHU-UHFFFAOYSA-N 0 3 325.408 3.496 20 10 EGCDHN COc1ccc(N2CCC[N@H+](Cc3cc(OC)ccc3[O-])CC2)cc1 ZINC000179826248 455085974 /nfs/dbraw/zinc/08/59/74/455085974.db2.gz YTCMCRWNMXCLEY-UHFFFAOYSA-N 0 3 342.439 3.122 20 10 EGCDHN COc1ccc(N2CCC[N@@H+](Cc3cc(OC)ccc3[O-])CC2)cc1 ZINC000179826248 455085979 /nfs/dbraw/zinc/08/59/79/455085979.db2.gz YTCMCRWNMXCLEY-UHFFFAOYSA-N 0 3 342.439 3.122 20 10 EGCDHN Cc1cccc([C@H](C[NH2+][C@@H](C)c2ccccc2[O-])N2CCOCC2)c1 ZINC000183415539 455290544 /nfs/dbraw/zinc/29/05/44/455290544.db2.gz YBAVKOZXEXPCDB-PXNSSMCTSA-N 0 3 340.467 3.425 20 10 EGCDHN CC(C)(C)S(=O)(=O)CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000265001189 455298307 /nfs/dbraw/zinc/29/83/07/455298307.db2.gz ZVOPVZVXCYZFEE-UHFFFAOYSA-N 0 3 347.480 3.362 20 10 EGCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000246484582 455498667 /nfs/dbraw/zinc/49/86/67/455498667.db2.gz GTXZDLWDMPPADA-NQIIRXRSSA-N 0 3 341.451 3.279 20 10 EGCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000246484582 455498669 /nfs/dbraw/zinc/49/86/69/455498669.db2.gz GTXZDLWDMPPADA-NQIIRXRSSA-N 0 3 341.451 3.279 20 10 EGCDHN Oc1cccc2c1CCC[C@H]2NCc1ccc(N2CCOCC2)cc1 ZINC000191662401 455508676 /nfs/dbraw/zinc/50/86/76/455508676.db2.gz HQFYCQOCHQEKSK-HXUWFJFHSA-N 0 3 338.451 3.396 20 10 EGCDHN Cc1ccc(CN2CC[C@H](NCc3cc(C)c(C)cc3O)C2=O)cc1 ZINC000191808533 455521984 /nfs/dbraw/zinc/52/19/84/455521984.db2.gz HAGITCFCEDHZCC-IBGZPJMESA-N 0 3 338.451 3.208 20 10 EGCDHN CCS(=O)(=O)c1ccc([C@H](C)NCc2cccc(OC)c2O)cc1 ZINC000283932812 455613502 /nfs/dbraw/zinc/61/35/02/455613502.db2.gz JFOOCPSMVYYHLG-ZDUSSCGKSA-N 0 3 349.452 3.045 20 10 EGCDHN Cc1cc(C)c([C@H](C)[NH2+]CCc2nnc3n2CCCCC3)c([O-])c1 ZINC000283964941 455616520 /nfs/dbraw/zinc/61/65/20/455616520.db2.gz GIGSKRABXZMMEA-HNNXBMFYSA-N 0 3 328.460 3.220 20 10 EGCDHN Cc1noc(C[C@@H](NCc2ccc3c(c2)CCO3)c2ccccc2)n1 ZINC000277723175 455645963 /nfs/dbraw/zinc/64/59/63/455645963.db2.gz TXDXDNZFCOIOAL-GOSISDBHSA-N 0 3 335.407 3.387 20 10 EGCDHN CCc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc(C)cc3[O-])C2)ncn1 ZINC000186023716 455677851 /nfs/dbraw/zinc/67/78/51/455677851.db2.gz OYWVAWXEQKZIFF-RDJZCZTQSA-N 0 3 340.471 3.373 20 10 EGCDHN C[C@@H]([NH2+]CCc1nc2cc(F)ccc2n1C)c1cc(F)ccc1[O-] ZINC000186061401 455686321 /nfs/dbraw/zinc/68/63/21/455686321.db2.gz SXIYXGBRUQPQDD-LLVKDONJSA-N 0 3 331.366 3.450 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@@H]2c2cccnc2)c1[O-] ZINC000284592229 455710882 /nfs/dbraw/zinc/71/08/82/455710882.db2.gz KEWWJWOOCCXZJY-WMLDXEAASA-N 0 3 334.803 3.069 20 10 EGCDHN Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(O)cc3)CC2)c1[O-] ZINC000271721123 455733908 /nfs/dbraw/zinc/73/39/08/455733908.db2.gz JWNZAEPYKPHFFT-UHFFFAOYSA-N 0 3 340.423 3.257 20 10 EGCDHN CS(=O)(=O)CCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000293710421 455794900 /nfs/dbraw/zinc/79/49/00/455794900.db2.gz LWBRDSVFQWGGNS-SFHVURJKSA-N 0 3 347.480 3.090 20 10 EGCDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)c1ccccc1)C[C@H]1CCCO1 ZINC000252442979 455804382 /nfs/dbraw/zinc/80/43/82/455804382.db2.gz KPSRRIBWILTMJS-UYAOXDASSA-N 0 3 327.424 3.107 20 10 EGCDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)c1ccccc1)C[C@H]1CCCO1 ZINC000252442979 455804386 /nfs/dbraw/zinc/80/43/86/455804386.db2.gz KPSRRIBWILTMJS-UYAOXDASSA-N 0 3 327.424 3.107 20 10 EGCDHN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCc1ccc(N(C)C)c(C)c1 ZINC000294394395 455813507 /nfs/dbraw/zinc/81/35/07/455813507.db2.gz CDLSTXUKOFYUOQ-PXNSSMCTSA-N 0 3 342.487 3.031 20 10 EGCDHN C[C@@H](c1ccccc1)[N@H+](CCC(=O)N(C)C)Cc1ccccc1[O-] ZINC000272063606 455836223 /nfs/dbraw/zinc/83/62/23/455836223.db2.gz SNYCCIMILXUIIK-INIZCTEOSA-N 0 3 326.440 3.434 20 10 EGCDHN C[C@@H](c1ccccc1)[N@@H+](CCC(=O)N(C)C)Cc1ccccc1[O-] ZINC000272063606 455836225 /nfs/dbraw/zinc/83/62/25/455836225.db2.gz SNYCCIMILXUIIK-INIZCTEOSA-N 0 3 326.440 3.434 20 10 EGCDHN C[C@@H]([NH2+]CCCCCS(C)(=O)=O)c1cc2c(cc1[O-])CCCC2 ZINC000186859670 455843858 /nfs/dbraw/zinc/84/38/58/455843858.db2.gz OPAHAGODWUHLHB-CQSZACIVSA-N 0 3 339.501 3.137 20 10 EGCDHN COc1ccc([O-])c(C[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)c1 ZINC000279086305 455858282 /nfs/dbraw/zinc/85/82/82/455858282.db2.gz SPBBVIKTVQRKMK-INIZCTEOSA-N 0 3 325.767 3.017 20 10 EGCDHN COc1cccc(CN[C@H](C)c2ccc(Br)cn2)c1O ZINC000279665257 455870258 /nfs/dbraw/zinc/87/02/58/455870258.db2.gz GVFVTEWYJBRAMM-SNVBAGLBSA-N 0 3 337.217 3.409 20 10 EGCDHN O=C(Nc1ccc(O)cc1)C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000272267582 455896924 /nfs/dbraw/zinc/89/69/24/455896924.db2.gz KYFHNAUNQTVVKF-UHFFFAOYSA-N 0 3 344.386 3.088 20 10 EGCDHN CCO[C@H]1C[C@H]([NH2+]Cc2cccc(OC)c2[O-])[C@@H]1Oc1ccccc1 ZINC000187638288 455932631 /nfs/dbraw/zinc/93/26/31/455932631.db2.gz SLCKYBXWOYZTLI-QRFRQXIXSA-N 0 3 343.423 3.115 20 10 EGCDHN [O-]c1cccc2c1[C@@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)CC2 ZINC000296435972 455938149 /nfs/dbraw/zinc/93/81/49/455938149.db2.gz MIDNKVCHWCHYBJ-AWEZNQCLSA-N 0 3 328.378 3.243 20 10 EGCDHN CC[C@H]([NH2+]CCc1nnc2n1CCCCC2)c1ccc(C)cc1[O-] ZINC000280291902 455938528 /nfs/dbraw/zinc/93/85/28/455938528.db2.gz ZHERKLWCAXTVCE-INIZCTEOSA-N 0 3 328.460 3.302 20 10 EGCDHN COCCC1(C[NH2+]Cc2cc(OC)c(OC)cc2[O-])CCCCC1 ZINC000187697637 455940727 /nfs/dbraw/zinc/94/07/27/455940727.db2.gz RHECHUPWNWROBY-UHFFFAOYSA-N 0 3 337.460 3.486 20 10 EGCDHN Cc1cnccc1CNCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000296512349 455959500 /nfs/dbraw/zinc/95/95/00/455959500.db2.gz RPHDKQNYSVFVQQ-IYBDPMFKSA-N 0 3 343.446 3.433 20 10 EGCDHN COCCOCCNCc1ccc(N(C)Cc2cccs2)cc1 ZINC000296508789 455959589 /nfs/dbraw/zinc/95/95/89/455959589.db2.gz RLJFDPIIMAUNTM-UHFFFAOYSA-N 0 3 334.485 3.137 20 10 EGCDHN Cc1ccc(CN2CC[C@@H]([NH2+][C@@H]3CCc4cccc([O-])c43)C2=O)cc1 ZINC000296576765 455977717 /nfs/dbraw/zinc/97/77/17/455977717.db2.gz VPXJDVPSWFBMJV-QZTJIDSGSA-N 0 3 336.435 3.079 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c([O-])c1 ZINC000297211855 456151392 /nfs/dbraw/zinc/15/13/92/456151392.db2.gz GRWFOUOWBPKYIR-UTXMOHQDSA-N 0 3 332.444 3.217 20 10 EGCDHN COc1ccc([C@@H](CN(C)C)[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000297252517 456163340 /nfs/dbraw/zinc/16/33/40/456163340.db2.gz JKMWXVGFBBDQDN-QZTJIDSGSA-N 0 3 326.440 3.281 20 10 EGCDHN COc1cc([O-])c(C[NH2+]C(C)(C)COCc2ccccc2)cc1OC ZINC000281211454 456166121 /nfs/dbraw/zinc/16/61/21/456166121.db2.gz JUJRHEIYXGGDOL-UHFFFAOYSA-N 0 3 345.439 3.494 20 10 EGCDHN COC[C@@]1(C[NH2+][C@H](C)c2ccccc2[O-])OCCc2ccccc21 ZINC000289980470 456204371 /nfs/dbraw/zinc/20/43/71/456204371.db2.gz XWFASEVMLPUDCV-FOIQADDNSA-N 0 3 327.424 3.157 20 10 EGCDHN Cc1ccc([C@@H](C)NCC(=O)N(C)Cc2ccccc2)c(O)c1C ZINC000273296425 456222699 /nfs/dbraw/zinc/22/26/99/456222699.db2.gz ACGSJUFNQOZVLK-MRXNPFEDSA-N 0 3 326.440 3.318 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)c([O-])c1C ZINC000273407686 456228509 /nfs/dbraw/zinc/22/85/09/456228509.db2.gz OYRQROFLCVTGOE-HNNXBMFYSA-N 0 3 347.480 3.404 20 10 EGCDHN Cc1ccc([C@@H](C)NCC(=O)NCCc2ccccc2)c(O)c1C ZINC000273450757 456231931 /nfs/dbraw/zinc/23/19/31/456231931.db2.gz GAFPOANBFNXQCU-MRXNPFEDSA-N 0 3 326.440 3.019 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](C)c2ccc3c(c2)CC(=O)N3C)c1 ZINC000273624096 456242710 /nfs/dbraw/zinc/24/27/10/456242710.db2.gz ZVGCAPMNSIIUPA-OLZOCXBDSA-N 0 3 340.423 3.332 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](O)C(F)(F)F)c1[O-] ZINC000275320129 456272826 /nfs/dbraw/zinc/27/28/26/456272826.db2.gz KUVUTAGUKAUCKK-GMSGAONNSA-N 0 3 342.155 3.037 20 10 EGCDHN CCOc1ccc([O-])c(C[NH2+]C2CCN(c3nccs3)CC2)c1 ZINC000282374548 456494074 /nfs/dbraw/zinc/49/40/74/456494074.db2.gz WYSAHZIIXOAWCG-UHFFFAOYSA-N 0 3 333.457 3.006 20 10 EGCDHN CCCC[N@H+](CCC(=O)Nc1cc(C)on1)Cc1ccccc1[O-] ZINC000282531781 456544144 /nfs/dbraw/zinc/54/41/44/456544144.db2.gz VELFBRCCBXBZDB-UHFFFAOYSA-N 0 3 331.416 3.320 20 10 EGCDHN CCCC[N@@H+](CCC(=O)Nc1cc(C)on1)Cc1ccccc1[O-] ZINC000282531781 456544151 /nfs/dbraw/zinc/54/41/51/456544151.db2.gz VELFBRCCBXBZDB-UHFFFAOYSA-N 0 3 331.416 3.320 20 10 EGCDHN COc1cc([O-])c(C[NH2+]C[C@@]2(C)OCCc3sccc32)cc1OC ZINC000291506127 456664219 /nfs/dbraw/zinc/66/42/19/456664219.db2.gz HTXAIMIHFCYSES-GOSISDBHSA-N 0 3 349.452 3.049 20 10 EGCDHN O=C1OCCC12CCN(Cc1ccc(N3CCCCC3)cc1)CC2 ZINC000359876804 457136686 /nfs/dbraw/zinc/13/66/86/457136686.db2.gz OZHDDALAVQFVPH-UHFFFAOYSA-N 0 3 328.456 3.206 20 10 EGCDHN C=Cn1cc(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)cn1 ZINC000373897085 457390251 /nfs/dbraw/zinc/39/02/51/457390251.db2.gz IZXZREUJCBCDHQ-UHFFFAOYSA-N 0 3 348.397 3.344 20 10 EGCDHN C[C@H]([NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@H]1CCOC1 ZINC000366298881 457805631 /nfs/dbraw/zinc/80/56/31/457805631.db2.gz KTGQJETXSJXBEF-ZQIUZPCESA-N 0 3 338.879 3.025 20 10 EGCDHN CC(C)c1cccc(N(C)C(=O)c2cn[n-]c2[C@@H]2CCC[NH2+]C2)c1 ZINC000423080053 458429929 /nfs/dbraw/zinc/42/99/29/458429929.db2.gz BFGKDIBSSOPNTK-OAHLLOKOSA-N 0 3 326.444 3.277 20 10 EGCDHN CCN1CCCC[C@H]1CNC(=O)NCc1c(C)c2ccccc2n1C ZINC000471852807 458743400 /nfs/dbraw/zinc/74/34/00/458743400.db2.gz NPCSGSPRKWYAQW-INIZCTEOSA-N 0 3 342.487 3.160 20 10 EGCDHN CCOc1cccc(CN[C@H](c2ccc(OC)nc2)C2CC2)c1O ZINC000527842080 459755998 /nfs/dbraw/zinc/75/59/98/459755998.db2.gz UZWGAYIWGOHPNP-SFHVURJKSA-N 0 3 328.412 3.435 20 10 EGCDHN CCOc1cccc(C[NH2+][C@H](c2ccc(OC)nc2)C2CC2)c1[O-] ZINC000527842080 459756001 /nfs/dbraw/zinc/75/60/01/459756001.db2.gz UZWGAYIWGOHPNP-SFHVURJKSA-N 0 3 328.412 3.435 20 10 EGCDHN CCN(C(=O)c1cccc2c1CCNC2)c1ccc(OC)c(OC)c1 ZINC000662498544 461270013 /nfs/dbraw/zinc/27/00/13/461270013.db2.gz UDZLBMFGGUWKCM-UHFFFAOYSA-N 0 3 340.423 3.016 20 10 EGCDHN COc1ccc(N(CC2CC2)C(=O)c2cccc3c2CCNC3)cc1 ZINC000638850244 461617564 /nfs/dbraw/zinc/61/75/64/461617564.db2.gz IGTZEPWAFGLXJK-UHFFFAOYSA-N 0 3 336.435 3.398 20 10 EGCDHN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000731020309 575045104 /nfs/dbraw/zinc/04/51/04/575045104.db2.gz QSPSEDIEVXEATO-MRXNPFEDSA-N 0 3 343.496 3.370 20 10 EGCDHN CCOc1cccc(CNC(C)(C)C(=O)Nc2ccccc2)c1O ZINC000731041782 575046387 /nfs/dbraw/zinc/04/63/87/575046387.db2.gz VXMYPSAZFDLXAA-UHFFFAOYSA-N 0 3 328.412 3.298 20 10 EGCDHN CCC(CC)[C@H](O)CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000732231393 575247481 /nfs/dbraw/zinc/24/74/81/575247481.db2.gz SQUNTLWQGJBBED-LJQANCHMSA-N 0 3 349.475 3.472 20 10 EGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCCC[C@@H]3C3OCCO3)c2c1 ZINC000740759082 576623868 /nfs/dbraw/zinc/62/38/68/576623868.db2.gz ROSNVUYALFUIQN-GOSISDBHSA-N 0 3 343.423 3.281 20 10 EGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCCC[C@@H]3C3OCCO3)c2c1 ZINC000740759082 576623870 /nfs/dbraw/zinc/62/38/70/576623870.db2.gz ROSNVUYALFUIQN-GOSISDBHSA-N 0 3 343.423 3.281 20 10 EGCDHN COC(=O)C[C@H]1CCCC[N@@H+]1Cc1c([O-])ccc2ccc(OC)cc21 ZINC000745438208 576847975 /nfs/dbraw/zinc/84/79/75/576847975.db2.gz SQHKXAZUOSAHKF-OAHLLOKOSA-N 0 3 343.423 3.472 20 10 EGCDHN COC(=O)C[C@H]1CCCC[N@H+]1Cc1c([O-])ccc2ccc(OC)cc21 ZINC000745438208 576847976 /nfs/dbraw/zinc/84/79/76/576847976.db2.gz SQHKXAZUOSAHKF-OAHLLOKOSA-N 0 3 343.423 3.472 20 10 EGCDHN Cc1ccc(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)c([O-])c1 ZINC000877572304 1299407761 /nfs/dbraw/zinc/40/77/61/1299407761.db2.gz OMZRIUAQWUKOFO-NJAFHUGGSA-N 0 3 329.444 3.184 20 10 EGCDHN COc1cc(Br)cc(C[NH2+][C@H]2CS[C@@H](C)C2)c1[O-] ZINC000840957729 1321186168 /nfs/dbraw/zinc/18/61/68/1321186168.db2.gz DGNFJBUHCPYQRE-GZMMTYOYSA-N 0 3 332.263 3.147 20 10 EGCDHN CC[NH+](CC)C[C@@H]1CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000093692668 1292930591 /nfs/dbraw/zinc/93/05/91/1292930591.db2.gz TYIGDYUGOSPSRR-ZDUSSCGKSA-N 0 3 341.293 3.318 20 10 EGCDHN CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000834768253 1293143820 /nfs/dbraw/zinc/14/38/20/1293143820.db2.gz ACZOMSMOZNDNJK-KBMXLJTQSA-N 0 3 332.444 3.226 20 10 EGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1)CC2 ZINC000834775322 1293145928 /nfs/dbraw/zinc/14/59/28/1293145928.db2.gz YUILSBRKPFRLOY-WOSRLPQWSA-N 0 3 329.362 3.453 20 10 EGCDHN Cc1cc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)ccn1 ZINC000834860651 1293158720 /nfs/dbraw/zinc/15/87/20/1293158720.db2.gz TZBMSTDCPAFBRX-HNNXBMFYSA-N 0 3 329.419 3.217 20 10 EGCDHN CC(C)(C)O[C@@H]1C[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)[C@H]1n1cccn1 ZINC000834902308 1293170343 /nfs/dbraw/zinc/17/03/43/1293170343.db2.gz GPUTZZRJUNSCRR-MFWIUYSUSA-N 0 3 341.455 3.363 20 10 EGCDHN Cc1ncccc1NC(=O)[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000834911261 1293174260 /nfs/dbraw/zinc/17/42/60/1293174260.db2.gz LPNYQXDQXTUBQH-HIFRSBDPSA-N 0 3 326.444 3.134 20 10 EGCDHN Cc1ccc(OC2CCN(Cc3cc4c(cc3O)OCO4)CC2)cc1 ZINC000116868329 1293210808 /nfs/dbraw/zinc/21/08/08/1293210808.db2.gz JHGKILXARBECNO-UHFFFAOYSA-N 0 3 341.407 3.473 20 10 EGCDHN CN(C)Cc1cccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000155523856 1294102178 /nfs/dbraw/zinc/10/21/78/1294102178.db2.gz BLWKFRGKJACFEZ-UHFFFAOYSA-N 0 3 325.456 3.086 20 10 EGCDHN Cc1nccn1CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000163105904 1294328417 /nfs/dbraw/zinc/32/84/17/1294328417.db2.gz CYBWNDKFNSFHGV-IBGZPJMESA-N 0 3 343.471 3.359 20 10 EGCDHN Cc1nccn1CCCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000163105904 1294328426 /nfs/dbraw/zinc/32/84/26/1294328426.db2.gz CYBWNDKFNSFHGV-IBGZPJMESA-N 0 3 343.471 3.359 20 10 EGCDHN CN(C)c1ccc(CNC[C@@](O)(c2ccccc2)C(F)(F)F)cc1 ZINC000170790911 1294382234 /nfs/dbraw/zinc/38/22/34/1294382234.db2.gz DEEDQRSLYROQAG-QGZVFWFLSA-N 0 3 338.373 3.292 20 10 EGCDHN CN(C)c1ccc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000180035260 1294855124 /nfs/dbraw/zinc/85/51/24/1294855124.db2.gz RPUMSLTUHFCDNF-UHFFFAOYSA-N 0 3 345.450 3.315 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]CCNC(=O)c2ccc(C)c(F)c2)c([O-])c1 ZINC000184981823 1295233460 /nfs/dbraw/zinc/23/34/60/1295233460.db2.gz MECMITNDHIDNAI-CQSZACIVSA-N 0 3 330.403 3.229 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(c3c(F)cccc3F)C2)c([O-])c1 ZINC000185855846 1295290515 /nfs/dbraw/zinc/29/05/15/1295290515.db2.gz WHNVXNRXKQKNBQ-STQMWFEESA-N 0 3 346.377 3.435 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]CCCNC(=O)c2cccc(F)c2)c([O-])c1 ZINC000186016012 1295298521 /nfs/dbraw/zinc/29/85/21/1295298521.db2.gz KJMWCRAZGHHQAB-AWEZNQCLSA-N 0 3 330.403 3.310 20 10 EGCDHN CN(Cc1cccs1)c1ccc(CNCc2cncn2C)cc1 ZINC000296067202 1296765402 /nfs/dbraw/zinc/76/54/02/1296765402.db2.gz PPGDDKBHFSBMHU-UHFFFAOYSA-N 0 3 326.469 3.408 20 10 EGCDHN Cc1ccc(C)n1-c1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000303858305 1296860107 /nfs/dbraw/zinc/86/01/07/1296860107.db2.gz GUJAZOFOFZGRGF-LJQANCHMSA-N 0 3 325.456 3.260 20 10 EGCDHN Cc1ccc(CN(C)C)cc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588406894 1298059282 /nfs/dbraw/zinc/05/92/82/1298059282.db2.gz ITNHZAAQEGJZGI-CLFYSBASSA-N 0 3 326.396 3.120 20 10 EGCDHN C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000701927306 1298191868 /nfs/dbraw/zinc/19/18/68/1298191868.db2.gz CTYBCIBTMZMYFP-VXGBXAGGSA-N 0 3 326.412 3.437 20 10 EGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCc1nnc2ccccn21 ZINC000725841616 1298372483 /nfs/dbraw/zinc/37/24/83/1298372483.db2.gz JUPGVBVAMHVKBG-UHFFFAOYSA-N 0 3 344.418 3.434 20 10 EGCDHN COC(=O)c1csc(CNCc2ccc3c(c2)CCCN3C)c1 ZINC000876986587 1299100822 /nfs/dbraw/zinc/10/08/22/1299100822.db2.gz GTCQVGMCPBMWLG-UHFFFAOYSA-N 0 3 330.453 3.207 20 10 EGCDHN COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]Cc1ccccc1[O-] ZINC000749110470 1299143357 /nfs/dbraw/zinc/14/33/57/1299143357.db2.gz IFBKZNKDQNVHPY-UHFFFAOYSA-N 0 3 341.363 3.223 20 10 EGCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000877478489 1299330001 /nfs/dbraw/zinc/33/00/01/1299330001.db2.gz IWLUIOXAXZAHDK-ZDUSSCGKSA-N 0 3 339.357 3.059 20 10 EGCDHN Cc1cccc(O)c1CNCc1ccncc1OCC(F)(F)F ZINC000877500760 1299349990 /nfs/dbraw/zinc/34/99/90/1299349990.db2.gz IYYQUOCRLKGDIU-UHFFFAOYSA-N 0 3 326.318 3.327 20 10 EGCDHN CC[C@@H]1CN(Cc2ccc(N3CCC(O)CC3)cc2)[C@H](CC)CO1 ZINC000877611364 1299430509 /nfs/dbraw/zinc/43/05/09/1299430509.db2.gz PUZZAOZABVRJQD-YLJYHZDGSA-N 0 3 332.488 3.037 20 10 EGCDHN CC[C@H]1COC(C)(C)CN1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877611615 1299431970 /nfs/dbraw/zinc/43/19/70/1299431970.db2.gz VVDBIFVHUURYJY-KRWDZBQOSA-N 0 3 332.488 3.037 20 10 EGCDHN CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000877755680 1299531485 /nfs/dbraw/zinc/53/14/85/1299531485.db2.gz LKOLATDDFMOZKS-JHJVBQTASA-N 0 3 327.371 3.410 20 10 EGCDHN C[C@H]([NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@@H]1CCCO1 ZINC000753660662 1300001645 /nfs/dbraw/zinc/00/16/45/1300001645.db2.gz AMQVKDRFWUADDN-XCRHUMRWSA-N 0 3 338.879 3.167 20 10 EGCDHN COc1ccc(N2CCN(Cc3cc(C)cc(C)c3O)CC2)cc1F ZINC000754740432 1300205461 /nfs/dbraw/zinc/20/54/61/1300205461.db2.gz RUHMAYXUCKGLJD-UHFFFAOYSA-N 0 3 344.430 3.479 20 10 EGCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCN2CCCC[C@H]2C)c1 ZINC000756362585 1300475556 /nfs/dbraw/zinc/47/55/56/1300475556.db2.gz JZSFNGUQZZICPL-CABCVRRESA-N 0 3 334.460 3.094 20 10 EGCDHN COc1ccc([C@H](O)C[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)cc1 ZINC000756381503 1300480266 /nfs/dbraw/zinc/48/02/66/1300480266.db2.gz MCLROTZAQHGGKR-UXEPBGEESA-N 0 3 331.387 3.411 20 10 EGCDHN C[C@@H]([NH2+]Cc1ccccc1Cn1cncn1)c1cc(F)ccc1[O-] ZINC000756391996 1300482655 /nfs/dbraw/zinc/48/26/55/1300482655.db2.gz GFSFRJXBRNQTQX-CYBMUJFWSA-N 0 3 326.375 3.022 20 10 EGCDHN COCCOc1ccc(C[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)cn1 ZINC000756431000 1300488182 /nfs/dbraw/zinc/48/81/82/1300488182.db2.gz AOSAFZWBINTCQM-WFASDCNBSA-N 0 3 346.402 3.290 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+]CCNC(=O)c2ccc(F)cc2)c2c1c(F)ccc2[O-] ZINC000756454223 1300494775 /nfs/dbraw/zinc/49/47/75/1300494775.db2.gz KNZQPKBBFXQSQG-ABAIWWIYSA-N 0 3 346.377 3.238 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCN(CC(F)(F)F)C2)c2c1c(F)ccc2[O-] ZINC000756503805 1300509404 /nfs/dbraw/zinc/50/94/04/1300509404.db2.gz PWBXNOSMMCLJOX-SCVCMEIPSA-N 0 3 332.341 3.306 20 10 EGCDHN COC(=O)/C=C/c1ccc(OCC[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000879649632 1300650095 /nfs/dbraw/zinc/65/00/95/1300650095.db2.gz ZZNIYGWXKYHDGG-SAAWKEMMSA-N 0 3 341.407 3.308 20 10 EGCDHN COc1cc(Cl)cc(CN(C)Cc2ccc3c(c2)OCCO3)c1O ZINC000761184190 1301416043 /nfs/dbraw/zinc/41/60/43/1301416043.db2.gz SMBBSMYXOPOGQI-UHFFFAOYSA-N 0 3 349.814 3.457 20 10 EGCDHN COC(=O)CCC1CC[NH+](Cc2cc(Cl)cc(OC)c2[O-])CC1 ZINC000761198446 1301418366 /nfs/dbraw/zinc/41/83/66/1301418366.db2.gz JNUDVWDIKCAXRF-UHFFFAOYSA-N 0 3 341.835 3.219 20 10 EGCDHN COc1cccc([O-])c1C[NH2+]CCOc1ncc(Cl)cc1Cl ZINC000761982487 1301583503 /nfs/dbraw/zinc/58/35/03/1301583503.db2.gz VMRFZPHGXPKJNH-UHFFFAOYSA-N 0 3 343.210 3.271 20 10 EGCDHN CCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)c([O-])c1 ZINC000762613948 1301712627 /nfs/dbraw/zinc/71/26/27/1301712627.db2.gz LHPHDNQNBSAQRY-VNQPRFMTSA-N 0 3 325.499 3.260 20 10 EGCDHN Cc1noc(C[C@H]([NH2+]Cc2cc(F)ccc2[O-])c2ccccc2)n1 ZINC000763545914 1301921999 /nfs/dbraw/zinc/92/19/99/1301921999.db2.gz GGVBTRHAIMXZIE-INIZCTEOSA-N 0 3 327.359 3.296 20 10 EGCDHN CCN(C)c1ccc([C@H](C)NCc2ccc(OCCOC)nc2)cc1 ZINC000764986751 1302181748 /nfs/dbraw/zinc/18/17/48/1302181748.db2.gz FDEWUCHLHUZKPH-INIZCTEOSA-N 0 3 343.471 3.414 20 10 EGCDHN CCC[N@H+](CCc1cccs1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000766028364 1302373329 /nfs/dbraw/zinc/37/33/29/1302373329.db2.gz RNZMRQISTLEUME-QGZVFWFLSA-N 0 3 333.453 3.334 20 10 EGCDHN CCC[N@@H+](CCc1cccs1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000766028364 1302373343 /nfs/dbraw/zinc/37/33/43/1302373343.db2.gz RNZMRQISTLEUME-QGZVFWFLSA-N 0 3 333.453 3.334 20 10 EGCDHN CCOc1cccc(CN2CCN(Cc3ccccc3C)CC2)c1O ZINC000768194805 1302853218 /nfs/dbraw/zinc/85/32/18/1302853218.db2.gz DXFVBJSRPNZKNI-UHFFFAOYSA-N 0 3 340.467 3.417 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+](Cc1ccc(F)cc1)C1CC1)[C@H](O)CO2 ZINC000768442533 1302902714 /nfs/dbraw/zinc/90/27/14/1302902714.db2.gz RXRABWILBSOBMW-GOSISDBHSA-N 0 3 329.371 3.122 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+](Cc1ccc(F)cc1)C1CC1)[C@H](O)CO2 ZINC000768442533 1302902721 /nfs/dbraw/zinc/90/27/21/1302902721.db2.gz RXRABWILBSOBMW-GOSISDBHSA-N 0 3 329.371 3.122 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+](CCc1cccc(F)c1)C1CC1)[C@@H](O)CO2 ZINC000768447278 1302906751 /nfs/dbraw/zinc/90/67/51/1302906751.db2.gz NYUWQJDMFIMTGZ-IBGZPJMESA-N 0 3 343.398 3.164 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+](CCc1cccc(F)c1)C1CC1)[C@@H](O)CO2 ZINC000768447278 1302906762 /nfs/dbraw/zinc/90/67/62/1302906762.db2.gz NYUWQJDMFIMTGZ-IBGZPJMESA-N 0 3 343.398 3.164 20 10 EGCDHN C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768462722 1302911424 /nfs/dbraw/zinc/91/14/24/1302911424.db2.gz CFRSLQQTJVVQBC-NRXGSXMXSA-N 0 3 325.408 3.196 20 10 EGCDHN C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768462722 1302911432 /nfs/dbraw/zinc/91/14/32/1302911432.db2.gz CFRSLQQTJVVQBC-NRXGSXMXSA-N 0 3 325.408 3.196 20 10 EGCDHN [O-]c1cc2c(cc1C[NH+]1CCC(c3cccc(F)c3)CC1)[C@@H](O)CO2 ZINC000768463677 1302912081 /nfs/dbraw/zinc/91/20/81/1302912081.db2.gz LEFBZLDPWFEEHQ-IBGZPJMESA-N 0 3 343.398 3.337 20 10 EGCDHN CC1(C)C[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)Cc2ccccc21 ZINC000768465692 1302912897 /nfs/dbraw/zinc/91/28/97/1302912897.db2.gz QBPFPHNHAOFKBJ-SFHVURJKSA-N 0 3 325.408 3.111 20 10 EGCDHN CC1(C)C[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)Cc2ccccc21 ZINC000768465692 1302912908 /nfs/dbraw/zinc/91/29/08/1302912908.db2.gz QBPFPHNHAOFKBJ-SFHVURJKSA-N 0 3 325.408 3.111 20 10 EGCDHN CC1(C)CN(Cc2cc3c(cc2O)OC[C@@H]3O)Cc2ccccc21 ZINC000768465692 1302912914 /nfs/dbraw/zinc/91/29/14/1302912914.db2.gz QBPFPHNHAOFKBJ-SFHVURJKSA-N 0 3 325.408 3.111 20 10 EGCDHN CCOc1ccc(C[NH+]2CCC(O)(c3ccccc3)CC2)c([O-])c1 ZINC000768526064 1302924346 /nfs/dbraw/zinc/92/43/46/1302924346.db2.gz JCUWCLVYHHNXJL-UHFFFAOYSA-N 0 3 327.424 3.275 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](c3c(F)cccc3F)C1)[C@@H](O)CO2 ZINC000768909107 1303010767 /nfs/dbraw/zinc/01/07/67/1303010767.db2.gz GXIRWFOZFLOKKH-DIFFPNOSSA-N 0 3 347.361 3.086 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](c3c(F)cccc3F)C1)[C@@H](O)CO2 ZINC000768909107 1303010775 /nfs/dbraw/zinc/01/07/75/1303010775.db2.gz GXIRWFOZFLOKKH-DIFFPNOSSA-N 0 3 347.361 3.086 20 10 EGCDHN CC[N@@H+]1CC[C@@H](N(C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1C ZINC000769470262 1303119256 /nfs/dbraw/zinc/11/92/56/1303119256.db2.gz KDBVWHINADDOHE-BXUZGUMPSA-N 0 3 341.839 3.258 20 10 EGCDHN CC[N@H+]1CC[C@@H](N(C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1C ZINC000769470262 1303119263 /nfs/dbraw/zinc/11/92/63/1303119263.db2.gz KDBVWHINADDOHE-BXUZGUMPSA-N 0 3 341.839 3.258 20 10 EGCDHN CCc1ccc(N2CCN(Cc3cccc(OC)c3O)CC2)cc1 ZINC000769499454 1303128501 /nfs/dbraw/zinc/12/85/01/1303128501.db2.gz VWBSGGQUXRIHTB-UHFFFAOYSA-N 0 3 326.440 3.285 20 10 EGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000770752363 1303313931 /nfs/dbraw/zinc/31/39/31/1303313931.db2.gz NUEAIQOMGVSDLJ-FPOVZHCZSA-N 0 3 339.435 3.487 20 10 EGCDHN CC[C@](C)(NCc1ccc(N2CCN(C)CC2)cc1)c1nccs1 ZINC000771839979 1303448998 /nfs/dbraw/zinc/44/89/98/1303448998.db2.gz BCQSYYOXOLCMHE-IBGZPJMESA-N 0 3 344.528 3.310 20 10 EGCDHN CC(C)N1C[C@H](N[C@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1=O ZINC000773008686 1303605856 /nfs/dbraw/zinc/60/58/56/1303605856.db2.gz XLYKEMKXLYGQLU-NVXWUHKLSA-N 0 3 347.478 3.476 20 10 EGCDHN COc1cc(CN2CCC(Oc3ncccc3F)CC2)c(O)cc1C ZINC000773349573 1303665358 /nfs/dbraw/zinc/66/53/58/1303665358.db2.gz OQBQTQWPBNRPFX-UHFFFAOYSA-N 0 3 346.402 3.287 20 10 EGCDHN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)NCc1cccs1 ZINC000774483234 1303816279 /nfs/dbraw/zinc/81/62/79/1303816279.db2.gz NGFAXWVVJYUAGO-UONOGXRCSA-N 0 3 331.485 3.170 20 10 EGCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]C[C@@H]2CCC=CO2)C1 ZINC000775012455 1303888788 /nfs/dbraw/zinc/88/87/88/1303888788.db2.gz PHWJHHOQSJQJBM-SJORKVTESA-N 0 3 336.863 3.292 20 10 EGCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N(C)[C@H](C)c2ccccc2)c1 ZINC000775371449 1303948312 /nfs/dbraw/zinc/94/83/12/1303948312.db2.gz XYFVSCUHEJTXIW-HUUCEWRRSA-N 0 3 342.439 3.271 20 10 EGCDHN COc1cccc([O-])c1C[NH2+]C[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000775373860 1303948373 /nfs/dbraw/zinc/94/83/73/1303948373.db2.gz DHXPGPRLAUTMAG-IBGZPJMESA-N 0 3 340.467 3.401 20 10 EGCDHN CC[C@@H]([NH2+]C[C@H](O)COc1c(C)cccc1C)c1ccccc1[O-] ZINC000775414264 1303960456 /nfs/dbraw/zinc/96/04/56/1303960456.db2.gz GYNZDQXGEIROQL-FUHWJXTLSA-N 0 3 329.440 3.490 20 10 EGCDHN CC[C@@H]([NH2+]Cc1cccc(NC(=O)COC)c1)c1ccccc1[O-] ZINC000775486247 1303972241 /nfs/dbraw/zinc/97/22/41/1303972241.db2.gz COERAGJVJCJGNV-QGZVFWFLSA-N 0 3 328.412 3.218 20 10 EGCDHN C[C@H](C1CC1)N(C(=O)CN[C@@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000775830655 1304045184 /nfs/dbraw/zinc/04/51/84/1304045184.db2.gz MFTYHGSVADRSTD-LSDHHAIUSA-N 0 3 329.488 3.193 20 10 EGCDHN C[C@@H](NCC(=O)Nc1ccc(F)cc1F)c1ccc(N(C)C)cc1 ZINC000775837482 1304047512 /nfs/dbraw/zinc/04/75/12/1304047512.db2.gz SWXFDSNXQCYXTI-GFCCVEGCSA-N 0 3 333.382 3.320 20 10 EGCDHN CC[C@@H](C[C@H](C)CO)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000776217958 1304115358 /nfs/dbraw/zinc/11/53/58/1304115358.db2.gz CSYMZIQHCGAQCI-HZMBPMFUSA-N 0 3 330.266 3.350 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCN(C3CC3)C2)c1[O-] ZINC000779021701 1304519400 /nfs/dbraw/zinc/51/94/00/1304519400.db2.gz GKGGOKZAXIXXAD-AAEUAGOBSA-N 0 3 339.277 3.350 20 10 EGCDHN COC1CCN(C2(C[NH2+]Cc3cc(F)ccc3[O-])CCCC2)CC1 ZINC000779085034 1304527961 /nfs/dbraw/zinc/52/79/61/1304527961.db2.gz LRUVQJIRIOLTRI-UHFFFAOYSA-N 0 3 336.451 3.045 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@@H]([C@H](C)O)C2)c1[O-] ZINC000780891996 1304748777 /nfs/dbraw/zinc/74/87/77/1304748777.db2.gz FZZWCBQKKDTMIT-NWDGAFQWSA-N 0 3 328.250 3.056 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)c1[O-] ZINC000780891996 1304748778 /nfs/dbraw/zinc/74/87/78/1304748778.db2.gz FZZWCBQKKDTMIT-NWDGAFQWSA-N 0 3 328.250 3.056 20 10 EGCDHN C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1)c1ccccc1[O-] ZINC000783489386 1305098188 /nfs/dbraw/zinc/09/81/88/1305098188.db2.gz COPXQJUQFWZYJK-WBVHZDCISA-N 0 3 345.512 3.093 20 10 EGCDHN Cc1ccc([C@@H](CN2CCOCC2)[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000783493119 1305099289 /nfs/dbraw/zinc/09/92/89/1305099289.db2.gz DPHFTECKOXGUPM-FXAWDEMLSA-N 0 3 340.467 3.425 20 10 EGCDHN Cc1cccc([C@H]2CC[N@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C2)c1 ZINC000784026878 1305179385 /nfs/dbraw/zinc/17/93/85/1305179385.db2.gz PSJZJHQVBFXUQD-HNAYVOBHSA-N 0 3 325.408 3.116 20 10 EGCDHN Cc1cccc([C@H]2CC[N@@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C2)c1 ZINC000784026878 1305179390 /nfs/dbraw/zinc/17/93/90/1305179390.db2.gz PSJZJHQVBFXUQD-HNAYVOBHSA-N 0 3 325.408 3.116 20 10 EGCDHN CN(C)c1ccc(CN[C@H]2CCCN(C3CCCCC3)C2=O)cc1 ZINC000785550165 1305378240 /nfs/dbraw/zinc/37/82/40/1305378240.db2.gz XJVIHTOJLBXNON-IBGZPJMESA-N 0 3 329.488 3.166 20 10 EGCDHN CCOc1ccc(CN2CCC[C@H](Oc3ncccc3F)C2)c(O)c1 ZINC000787288715 1305725913 /nfs/dbraw/zinc/72/59/13/1305725913.db2.gz BGBLOAJGZVRXAH-INIZCTEOSA-N 0 3 346.402 3.368 20 10 EGCDHN NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000787422668 1305744089 /nfs/dbraw/zinc/74/40/89/1305744089.db2.gz IJLKWSUALBWGPN-POAQFYNOSA-N 0 3 336.435 3.145 20 10 EGCDHN NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000787422668 1305744095 /nfs/dbraw/zinc/74/40/95/1305744095.db2.gz IJLKWSUALBWGPN-POAQFYNOSA-N 0 3 336.435 3.145 20 10 EGCDHN CCCCCn1cc(CNCc2ccc(OC)c(OC)c2O)c(C)n1 ZINC000893257766 1305788117 /nfs/dbraw/zinc/78/81/17/1305788117.db2.gz AHHTUSQWXPPONX-UHFFFAOYSA-N 0 3 347.459 3.394 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](c2ccnn2C)C(C)C)c1[O-] ZINC000788266265 1305911809 /nfs/dbraw/zinc/91/18/09/1305911809.db2.gz MALIRIUKZBOINU-CQSZACIVSA-N 0 3 337.851 3.317 20 10 EGCDHN COc1ccc(CN2C[C@@H](C)C[C@H]2c2cccnc2)c(O)c1OC ZINC000893572671 1305974522 /nfs/dbraw/zinc/97/45/22/1305974522.db2.gz SMUFJFQLXNJCDS-BBRMVZONSA-N 0 3 328.412 3.388 20 10 EGCDHN CC(C)c1cccc2c1CCN(Cc1cc3c(cc1O)OC[C@@H]3O)C2 ZINC000788785030 1306016569 /nfs/dbraw/zinc/01/65/69/1306016569.db2.gz OZTJONABDSQGSK-FQEVSTJZSA-N 0 3 339.435 3.500 20 10 EGCDHN CC(C)c1cccc2c1CC[N@H+](Cc1cc3c(cc1[O-])OC[C@@H]3O)C2 ZINC000788785030 1306016580 /nfs/dbraw/zinc/01/65/80/1306016580.db2.gz OZTJONABDSQGSK-FQEVSTJZSA-N 0 3 339.435 3.500 20 10 EGCDHN CC(C)c1cccc2c1CC[N@@H+](Cc1cc3c(cc1[O-])OC[C@@H]3O)C2 ZINC000788785030 1306016591 /nfs/dbraw/zinc/01/65/91/1306016591.db2.gz OZTJONABDSQGSK-FQEVSTJZSA-N 0 3 339.435 3.500 20 10 EGCDHN C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cccc(Br)c2[O-])C1 ZINC000809767939 1317895602 /nfs/dbraw/zinc/89/56/02/1317895602.db2.gz YMERPCAUQJPQOP-SWLSCSKDSA-N 0 3 339.277 3.071 20 10 EGCDHN C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cccc(Br)c2[O-])C1 ZINC000809767939 1317895608 /nfs/dbraw/zinc/89/56/08/1317895608.db2.gz YMERPCAUQJPQOP-SWLSCSKDSA-N 0 3 339.277 3.071 20 10 EGCDHN COc1ccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c(O)c1OC ZINC000894658840 1309007592 /nfs/dbraw/zinc/00/75/92/1309007592.db2.gz ZSHIDVYYPHFYPT-NSHDSACASA-N 0 3 332.356 3.168 20 10 EGCDHN COc1ccc(N2CC[C@@H](CNCc3nc(C)c(C)s3)C2)cc1 ZINC000895006547 1309151975 /nfs/dbraw/zinc/15/19/75/1309151975.db2.gz RLQFOEPPUDTGGO-HNNXBMFYSA-N 0 3 331.485 3.385 20 10 EGCDHN COc1cc(C)cc(CNCc2cnccc2C(F)(F)F)c1O ZINC000895360473 1309300520 /nfs/dbraw/zinc/30/05/20/1309300520.db2.gz PSPVCXBZLNBIJD-UHFFFAOYSA-N 0 3 326.318 3.413 20 10 EGCDHN Cc1cccc(CC[NH2+]Cc2cc(Br)cc(C)c2[O-])n1 ZINC000793202641 1309315807 /nfs/dbraw/zinc/31/58/07/1309315807.db2.gz MWQWGHAHVQRJKY-UHFFFAOYSA-N 0 3 335.245 3.499 20 10 EGCDHN COc1ccc(C[NH2+][C@@H](C)CCc2n[nH]c3ccccc32)c([O-])c1 ZINC000793387533 1309361238 /nfs/dbraw/zinc/36/12/38/1309361238.db2.gz GBIQRUFSOQZYPP-ZDUSSCGKSA-N 0 3 325.412 3.388 20 10 EGCDHN CCOc1ccc(C[NH2+]Cc2ccc(OC)cc2[O-])cc1OCC ZINC000793389569 1309361394 /nfs/dbraw/zinc/36/13/94/1309361394.db2.gz JVOJZTASSKHXCH-UHFFFAOYSA-N 0 3 331.412 3.488 20 10 EGCDHN CC[C@H]([NH2+]CCNC(=O)c1cccc(C)c1)c1ccc(C)cc1[O-] ZINC000794798868 1309597495 /nfs/dbraw/zinc/59/74/95/1309597495.db2.gz YYWOUXKRQSPYMA-SFHVURJKSA-N 0 3 326.440 3.480 20 10 EGCDHN CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])s1 ZINC000797140987 1310146475 /nfs/dbraw/zinc/14/64/75/1310146475.db2.gz PGJIEAMZVJXPBP-UTUOFQBUSA-N 0 3 348.472 3.120 20 10 EGCDHN CC(C)OC[C@H](C)[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000800239004 1310709255 /nfs/dbraw/zinc/70/92/55/1310709255.db2.gz CKUKJWQAVMMNMN-YOEHRIQHSA-N 0 3 340.895 3.413 20 10 EGCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000801597017 1310970724 /nfs/dbraw/zinc/97/07/24/1310970724.db2.gz XRCNJLKCPKOXJG-CQSZACIVSA-N 0 3 349.475 3.007 20 10 EGCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000801597017 1310970734 /nfs/dbraw/zinc/97/07/34/1310970734.db2.gz XRCNJLKCPKOXJG-CQSZACIVSA-N 0 3 349.475 3.007 20 10 EGCDHN COc1cc(Br)cc(C[NH2+][C@@H](C)[C@H](OC)C2CC2)c1[O-] ZINC000825099236 1320309763 /nfs/dbraw/zinc/30/97/63/1320309763.db2.gz VVIDNOIPKUFUTC-VFZGTOFNSA-N 0 3 344.249 3.066 20 10 EGCDHN COc1cc(Cl)cc(CN2CC[C@H](Oc3ccc(C)cn3)C2)c1O ZINC000858013248 1328658768 /nfs/dbraw/zinc/65/87/68/1328658768.db2.gz PYPNCKUAEGSXTG-HNNXBMFYSA-N 0 3 348.830 3.411 20 10 EGCDHN CC(C)C[NH+]1CCC(NCc2c([O-])cccc2Br)CC1 ZINC000858095406 1328681229 /nfs/dbraw/zinc/68/12/29/1328681229.db2.gz SWAGYAWASZEKIN-UHFFFAOYSA-N 0 3 341.293 3.365 20 10 EGCDHN CN(C)c1cc(F)c(CNC[C@@]2(CO)C[C@@H]2c2ccccc2)cc1F ZINC000858165813 1328701516 /nfs/dbraw/zinc/70/15/16/1328701516.db2.gz OGTMNZWIGPMHRN-OXQOHEQNSA-N 0 3 346.421 3.287 20 10 EGCDHN CC[C@H](C)N[C@@H](CNC(=O)N(C)Cc1ccccc1O)c1ccco1 ZINC000807441346 1317566642 /nfs/dbraw/zinc/56/66/42/1317566642.db2.gz GFNQFFRXRLGBJN-HOCLYGCPSA-N 0 3 345.443 3.256 20 10 EGCDHN CCN1CCC[C@@H](N[C@@H](C)c2ccc(N3CCCCC3)cc2)C1=O ZINC000903393162 1317695585 /nfs/dbraw/zinc/69/55/85/1317695585.db2.gz HWDVSTOFEXBWKN-QFBILLFUSA-N 0 3 329.488 3.338 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CC(=O)NCc2ccccc2)c1[O-] ZINC000808682172 1317715303 /nfs/dbraw/zinc/71/53/03/1317715303.db2.gz OBASSSNERSDFNQ-ZDUSSCGKSA-N 0 3 332.831 3.321 20 10 EGCDHN C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cc(Br)ccc1[O-] ZINC000809702983 1317869354 /nfs/dbraw/zinc/86/93/54/1317869354.db2.gz BRJDHJAUPPMVHZ-IUODEOHRSA-N 0 3 339.277 3.213 20 10 EGCDHN CCOc1ccc(C[N@@H+](CCc2ccccc2)CCN(C)C)c([O-])c1 ZINC000809731273 1317882225 /nfs/dbraw/zinc/88/22/25/1317882225.db2.gz SBIHGJNFZBZBRP-UHFFFAOYSA-N 0 3 342.483 3.397 20 10 EGCDHN CCOc1ccc(C[N@H+](CCc2ccccc2)CCN(C)C)c([O-])c1 ZINC000809731273 1317882232 /nfs/dbraw/zinc/88/22/32/1317882232.db2.gz SBIHGJNFZBZBRP-UHFFFAOYSA-N 0 3 342.483 3.397 20 10 EGCDHN COc1cccc(CNCc2cc(OC)c(OC)cc2SC)c1O ZINC000809739984 1317886228 /nfs/dbraw/zinc/88/62/28/1317886228.db2.gz JKCAEJPCIGJTKM-UHFFFAOYSA-N 0 3 349.452 3.430 20 10 EGCDHN CCOc1ccc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)c([O-])c1 ZINC000810164503 1317966515 /nfs/dbraw/zinc/96/65/15/1317966515.db2.gz DWZMPBKGGFEVRG-ICSRJNTNSA-N 0 3 327.424 3.047 20 10 EGCDHN COc1ccc(CN[C@@H]2C[C@@H](C)c3c2c(O)ccc3F)c(OC)n1 ZINC000810260155 1317989265 /nfs/dbraw/zinc/98/92/65/1317989265.db2.gz GHWZMMBGGFFFDR-ZWNOBZJWSA-N 0 3 332.375 3.282 20 10 EGCDHN COCC1([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCOCC1 ZINC000814301926 1318719493 /nfs/dbraw/zinc/71/94/93/1318719493.db2.gz JEKLODPIIDIOOU-UHFFFAOYSA-N 0 3 327.424 3.344 20 10 EGCDHN C[C@@H](C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-])S(C)(=O)=O ZINC000815597877 1319024821 /nfs/dbraw/zinc/02/48/21/1319024821.db2.gz IAPBAVRDGHNKQP-YJBOKZPZSA-N 0 3 347.480 3.089 20 10 EGCDHN CO[C@]1(C[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])CCOC1 ZINC000815616283 1319029398 /nfs/dbraw/zinc/02/93/98/1319029398.db2.gz KOCXXWGTXHQPNZ-CTNGQTDRSA-N 0 3 341.451 3.461 20 10 EGCDHN C[C@H](NCc1ccc2c(c1)oc(=O)n2C)c1ccc(N(C)C)cc1 ZINC000816574094 1319187268 /nfs/dbraw/zinc/18/72/68/1319187268.db2.gz WVJOPQKFBVYZFC-ZDUSSCGKSA-N 0 3 325.412 3.048 20 10 EGCDHN COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]Cc2ccc(OC)cc2[O-])C1 ZINC000816597185 1319189129 /nfs/dbraw/zinc/18/91/29/1319189129.db2.gz INUIDRADLVUJIJ-GDBMZVCRSA-N 0 3 335.444 3.393 20 10 EGCDHN C[C@@H]1CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@H](C)N1C ZINC000816653222 1319202335 /nfs/dbraw/zinc/20/23/35/1319202335.db2.gz KIUHBWIOGJAURS-IYBDPMFKSA-N 0 3 346.475 3.110 20 10 EGCDHN Cc1c([C@@H](C)NCCc2ccc(N)cc2)nnn1-c1ccc(C)cc1 ZINC000817956405 1319476504 /nfs/dbraw/zinc/47/65/04/1319476504.db2.gz YIEDRHPVCPVOMI-OAHLLOKOSA-N 0 3 335.455 3.360 20 10 EGCDHN C[C@@H]([NH2+][C@H](CN)C1CCCC1)c1ccc(Br)cc1[O-] ZINC000817981645 1319485893 /nfs/dbraw/zinc/48/58/93/1319485893.db2.gz MFBCAQAFTXKOCQ-QMTHXVAHSA-N 0 3 327.266 3.323 20 10 EGCDHN c1cc(CNCc2ccc3c(c2)OCCCCO3)cc2c1OCC2 ZINC000823753107 1320203866 /nfs/dbraw/zinc/20/38/66/1320203866.db2.gz RJDPYYSUFQICFB-UHFFFAOYSA-N 0 3 325.408 3.463 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@H]1CCC[C@H]1CO ZINC000825188413 1320317004 /nfs/dbraw/zinc/31/70/04/1320317004.db2.gz KHZNJINNNRWXID-HKUYNNGSSA-N 0 3 327.424 3.222 20 10 EGCDHN CCO[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000825284216 1320323997 /nfs/dbraw/zinc/32/39/97/1320323997.db2.gz HDVZDLQCCFDYOO-CHWSQXEVSA-N 0 3 344.249 3.211 20 10 EGCDHN COC(=O)c1oc(CNCCCSc2nccs2)cc1C ZINC000825303915 1320326243 /nfs/dbraw/zinc/32/62/43/1320326243.db2.gz NIMVWPAWYAIOFF-UHFFFAOYSA-N 0 3 326.443 3.103 20 10 EGCDHN Cc1cc(O)c(CN2CCC[C@@H](NC(=O)N(C)C)C2)cc1C(C)C ZINC000840146671 1321038253 /nfs/dbraw/zinc/03/82/53/1321038253.db2.gz LPMZBQWYNRKIFT-MRXNPFEDSA-N 0 3 333.476 3.060 20 10 EGCDHN Cc1cc(N(C)C)ccc1CN[C@H]1CCN(c2ccccc2F)C1=O ZINC000840934766 1321180486 /nfs/dbraw/zinc/18/04/86/1321180486.db2.gz XCUJKZJNCKAPAK-SFHVURJKSA-N 0 3 341.430 3.095 20 10 EGCDHN CC[C@H]([NH2+]Cc1cc(Br)cc(C)c1[O-])[C@H](O)C(C)C ZINC000840966200 1321189375 /nfs/dbraw/zinc/18/93/75/1321189375.db2.gz DJPXIMRCWRTGCN-UONOGXRCSA-N 0 3 330.266 3.348 20 10 EGCDHN CSc1ccc([C@@H](CNC(=O)Nc2ccc(N)cc2)N(C)C)cc1 ZINC000841299423 1321249157 /nfs/dbraw/zinc/24/91/57/1321249157.db2.gz KKNKQPKXSUSKBW-QGZVFWFLSA-N 0 3 344.484 3.415 20 10 EGCDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1ccc(N)cc1 ZINC000841301770 1321250186 /nfs/dbraw/zinc/25/01/86/1321250186.db2.gz YMGAADZQFLOVDF-UHFFFAOYSA-N 0 3 348.397 3.143 20 10 EGCDHN O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccc2c(c1)CNC2 ZINC000841331372 1321257981 /nfs/dbraw/zinc/25/79/81/1321257981.db2.gz IQGKFNFWOQZRAY-UHFFFAOYSA-N 0 3 337.423 3.196 20 10 EGCDHN CCC(N)=NOCC(=O)c1cc(C)n(-c2ccc(Cl)cn2)c1C ZINC000842023433 1321335901 /nfs/dbraw/zinc/33/59/01/1321335901.db2.gz GZPKKOFNOIEQIY-UHFFFAOYSA-N 0 3 334.807 3.234 20 10 EGCDHN CC[C@H]1CN(Cc2cc(C)cc(Br)c2[O-])CC[C@@H]1[NH3+] ZINC000843051945 1321462110 /nfs/dbraw/zinc/46/21/10/1321462110.db2.gz JDXSOUNFYQQZQU-FZMZJTMJSA-N 0 3 327.266 3.022 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+](C)C[C@]2(O)CCc3ccccc32)c1[O-] ZINC000843422508 1321516952 /nfs/dbraw/zinc/51/69/52/1321516952.db2.gz WXXHFLFXMBZTLH-LJQANCHMSA-N 0 3 347.842 3.320 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+](C)C[C@]2(O)CCc3ccccc32)c1[O-] ZINC000843422508 1321516958 /nfs/dbraw/zinc/51/69/58/1321516958.db2.gz WXXHFLFXMBZTLH-LJQANCHMSA-N 0 3 347.842 3.320 20 10 EGCDHN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H](N)CC(F)F ZINC000843484308 1321522230 /nfs/dbraw/zinc/52/22/30/1321522230.db2.gz JPBNLXWCBYWAFA-CZUORRHYSA-N 0 3 348.393 3.465 20 10 EGCDHN C[C@H](N[C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(N2CCOCC2)cc1Cl ZINC000846187879 1321775035 /nfs/dbraw/zinc/77/50/35/1321775035.db2.gz BXTLJJDLOGQABJ-GGBBIFEXSA-N 0 3 336.863 3.147 20 10 EGCDHN CN(C)c1ccc(CN(C)Cc2ccc(C(=O)NC3CC3)cc2)cc1 ZINC000920258865 1322156837 /nfs/dbraw/zinc/15/68/37/1322156837.db2.gz ZLRPOPUTESYJRV-UHFFFAOYSA-N 0 3 337.467 3.277 20 10 EGCDHN COc1cc(CN[C@H]2CCN(C(C)(C)C)C2=O)c(O)c(C(C)(C)C)c1 ZINC000850334657 1322229901 /nfs/dbraw/zinc/22/99/01/1322229901.db2.gz QQXOHVBKUYNCAR-INIZCTEOSA-N 0 3 348.487 3.187 20 10 EGCDHN COc1ccsc1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000850405936 1322240262 /nfs/dbraw/zinc/24/02/62/1322240262.db2.gz LAZJBNDKQOPYFD-UHFFFAOYSA-N 0 3 332.469 3.008 20 10 EGCDHN Cc1nn(C(C)C)cc1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000850406544 1322240467 /nfs/dbraw/zinc/24/04/67/1322240467.db2.gz KWUNCOBVXJYLDM-UHFFFAOYSA-N 0 3 342.487 3.023 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CCCCC2)c([O-])c1 ZINC000850532864 1322261655 /nfs/dbraw/zinc/26/16/55/1322261655.db2.gz YQWNGTFOZYIYDI-CQSZACIVSA-N 0 3 325.474 3.099 20 10 EGCDHN C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccccc1[O-] ZINC000850566804 1322269647 /nfs/dbraw/zinc/26/96/47/1322269647.db2.gz SUYXBTGISPGVNS-HNNXBMFYSA-N 0 3 326.440 3.204 20 10 EGCDHN [O-]c1ccccc1C[N@@H+](Cc1cccc2n[nH]cc21)C[C@@H]1CCCO1 ZINC000862212495 1329465891 /nfs/dbraw/zinc/46/58/91/1329465891.db2.gz IVFJDQWPZCWIHJ-KRWDZBQOSA-N 0 3 337.423 3.450 20 10 EGCDHN [O-]c1ccccc1C[N@H+](Cc1cccc2n[nH]cc21)C[C@@H]1CCCO1 ZINC000862212495 1329465893 /nfs/dbraw/zinc/46/58/93/1329465893.db2.gz IVFJDQWPZCWIHJ-KRWDZBQOSA-N 0 3 337.423 3.450 20 10 EGCDHN CN(C)c1ccc(F)cc1CNCc1ccc(N2CCOCC2)cc1 ZINC000865428222 1329696069 /nfs/dbraw/zinc/69/60/69/1329696069.db2.gz QQVWIKPZJRCKPP-UHFFFAOYSA-N 0 3 343.446 3.018 20 10 EGCDHN Cc1cc(Br)cc(C[NH+]2CCC3(CCOC3)CC2)c1[O-] ZINC001233106600 1376570530 /nfs/dbraw/zinc/57/05/30/1376570530.db2.gz JVMZRDSFSAMSDL-UHFFFAOYSA-N 0 3 340.261 3.466 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@@H](C)[C@H]2CO)c1[O-] ZINC001233106800 1376571076 /nfs/dbraw/zinc/57/10/76/1376571076.db2.gz OHEAJWAHZGBWDF-QMTHXVAHSA-N 0 3 328.250 3.056 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H](C)[C@H]2CO)c1[O-] ZINC001233106800 1376571082 /nfs/dbraw/zinc/57/10/82/1376571082.db2.gz OHEAJWAHZGBWDF-QMTHXVAHSA-N 0 3 328.250 3.056 20 10 EGCDHN [O-]c1ccccc1C[N@@H+]1C[C@@H]2COC[C@]2(COCC2CCCC2)C1 ZINC001203552474 1370167114 /nfs/dbraw/zinc/16/71/14/1370167114.db2.gz MLYHNMFJBMGUTF-UYAOXDASSA-N 0 3 331.456 3.047 20 10 EGCDHN [O-]c1ccccc1C[N@H+]1C[C@@H]2COC[C@]2(COCC2CCCC2)C1 ZINC001203552474 1370167116 /nfs/dbraw/zinc/16/71/16/1370167116.db2.gz MLYHNMFJBMGUTF-UYAOXDASSA-N 0 3 331.456 3.047 20 10 EGCDHN CN1C(=O)CC2(CC[NH+](Cc3ccccc3[O-])CC2)c2ccccc21 ZINC001203552640 1370167649 /nfs/dbraw/zinc/16/76/49/1370167649.db2.gz PLSKWIHMCZJMTK-UHFFFAOYSA-N 0 3 336.435 3.293 20 10 EGCDHN COc1ccc(C[NH+](CCOC(C)C)CCOC(C)C)c([O-])c1 ZINC001203628048 1370193203 /nfs/dbraw/zinc/19/32/03/1370193203.db2.gz WPNRBSNGRSGTOY-UHFFFAOYSA-N 0 3 325.449 3.053 20 10 EGCDHN Cc1cccnc1O[C@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC001203937497 1370322076 /nfs/dbraw/zinc/32/20/76/1370322076.db2.gz SNBHVCBGPQFVRA-IBGZPJMESA-N 0 3 325.456 3.499 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC(Oc3ccncn3)CC2)cc1 ZINC001203943455 1370324340 /nfs/dbraw/zinc/32/43/40/1370324340.db2.gz CEVXEDJRGUFUIO-UHFFFAOYSA-N 0 3 340.471 3.366 20 10 EGCDHN CN(C)c1ccc(CN2CCN(c3cncnc3)CC2)c2ccccc21 ZINC001204240149 1370418753 /nfs/dbraw/zinc/41/87/53/1370418753.db2.gz JGQXPHZREZCFGF-UHFFFAOYSA-N 0 3 347.466 3.018 20 10 EGCDHN CC(C)(C)OC(=O)N1CCC[C@@]12CC[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204276997 1370428999 /nfs/dbraw/zinc/42/89/99/1370428999.db2.gz VHFIUASJAWIVPP-IBGZPJMESA-N 0 3 348.443 3.073 20 10 EGCDHN CC(C)(C)OC(=O)N1CCC[C@@]12CC[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204276997 1370429003 /nfs/dbraw/zinc/42/90/03/1370429003.db2.gz VHFIUASJAWIVPP-IBGZPJMESA-N 0 3 348.443 3.073 20 10 EGCDHN COc1ccc(CCN2CCCc3cc(O)c(O)cc3C2)cc1OC ZINC001208759275 1371885844 /nfs/dbraw/zinc/88/58/44/1371885844.db2.gz SXVBYRMSLNMOPF-UHFFFAOYSA-N 0 3 343.423 3.106 20 10 EGCDHN COc1cc([O-])c(CN2CC[NH2+][C@H](Cc3ccccc3)C2)cc1Cl ZINC001210356699 1372331237 /nfs/dbraw/zinc/33/12/37/1372331237.db2.gz PGJLWDLYQGJMCE-MRXNPFEDSA-N 0 3 346.858 3.071 20 10 EGCDHN Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCc1cc(=O)n2ccccc2n1 ZINC001326800978 1388314635 /nfs/dbraw/zinc/31/46/35/1388314635.db2.gz PSRQQBWQYOFWSQ-UKRRQHHQSA-N 0 3 335.407 3.047 20 10 EGCDHN C[N@H+](CCC1OCCO1)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001231470283 1376248216 /nfs/dbraw/zinc/24/82/16/1376248216.db2.gz SUNHNGFUYMGKCL-UHFFFAOYSA-N 0 3 343.423 3.166 20 10 EGCDHN C[N@@H+](CCC1OCCO1)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001231470283 1376248221 /nfs/dbraw/zinc/24/82/21/1376248221.db2.gz SUNHNGFUYMGKCL-UHFFFAOYSA-N 0 3 343.423 3.166 20 10 EGCDHN [O-]c1cc(C(F)(F)F)ccc1CN1CCC([NH+]2CCCC2)CC1 ZINC001233451536 1376649165 /nfs/dbraw/zinc/64/91/65/1376649165.db2.gz OJRROUAALPXOOD-UHFFFAOYSA-N 0 3 328.378 3.471 20 10 EGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC001237054234 1376970778 /nfs/dbraw/zinc/97/07/78/1376970778.db2.gz XGOGDHFWLQJSET-INIZCTEOSA-N 0 3 345.361 3.336 20 10 EGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC001237054234 1376970786 /nfs/dbraw/zinc/97/07/86/1376970786.db2.gz XGOGDHFWLQJSET-INIZCTEOSA-N 0 3 345.361 3.336 20 10 EGCDHN C[C@H]1C[C@H]2C[N@H+](Cc3ccc(OCC(F)(F)F)cc3[O-])CC[C@H]2O1 ZINC001237052784 1376971389 /nfs/dbraw/zinc/97/13/89/1376971389.db2.gz VBVYGHRGCQZKDG-DETPVDSQSA-N 0 3 345.361 3.333 20 10 EGCDHN C[C@H]1C[C@H]2C[N@@H+](Cc3ccc(OCC(F)(F)F)cc3[O-])CC[C@H]2O1 ZINC001237052784 1376971393 /nfs/dbraw/zinc/97/13/93/1376971393.db2.gz VBVYGHRGCQZKDG-DETPVDSQSA-N 0 3 345.361 3.333 20 10 EGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@]2(C1)CCCCO2 ZINC001237053704 1376971489 /nfs/dbraw/zinc/97/14/89/1376971489.db2.gz OJPYESIIQBAKSE-INIZCTEOSA-N 0 3 345.361 3.478 20 10 EGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CC[C@]2(C1)CCCCO2 ZINC001237053704 1376971491 /nfs/dbraw/zinc/97/14/91/1376971491.db2.gz OJPYESIIQBAKSE-INIZCTEOSA-N 0 3 345.361 3.478 20 10 EGCDHN c1cnc(O[C@@H]2CCN(Cc3ccc(N4CCCCC4)cc3)C2)nc1 ZINC001138222028 1377690703 /nfs/dbraw/zinc/69/07/03/1377690703.db2.gz BRPWHKAIUOPLMI-LJQANCHMSA-N 0 3 338.455 3.120 20 10 EGCDHN CN1CCCc2cc(CN3CCCC[C@@](O)(C(F)(F)F)C3)ccc21 ZINC001138354809 1377708466 /nfs/dbraw/zinc/70/84/66/1377708466.db2.gz VUTXMZQYOUYKKR-KRWDZBQOSA-N 0 3 342.405 3.348 20 10 EGCDHN CN(Cc1ccc(N2CCN(C)CC2)cc1)Cc1cccc(F)c1F ZINC001139410765 1377880459 /nfs/dbraw/zinc/88/04/59/1377880459.db2.gz COYGCYFVYWHCHY-UHFFFAOYSA-N 0 3 345.437 3.349 20 10 EGCDHN C[N@@H+](Cc1cc(F)ccc1[O-])C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140055158 1377996861 /nfs/dbraw/zinc/99/68/61/1377996861.db2.gz MEYVQCOUHJPRMO-CYBMUJFWSA-N 0 3 338.423 3.220 20 10 EGCDHN C[N@H+](Cc1cc(F)ccc1[O-])C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140055158 1377996862 /nfs/dbraw/zinc/99/68/62/1377996862.db2.gz MEYVQCOUHJPRMO-CYBMUJFWSA-N 0 3 338.423 3.220 20 10 EGCDHN CC(=O)OC[C@H]1CCC2(C1)CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001140059942 1377998381 /nfs/dbraw/zinc/99/83/81/1377998381.db2.gz BTLGYRIQNONRIN-HNNXBMFYSA-N 0 3 335.419 3.477 20 10 EGCDHN [O-]c1cc(Cl)ccc1CN1CC[C@H]([NH+]2CCCCC2)[C@@H](F)C1 ZINC001140468650 1378069193 /nfs/dbraw/zinc/06/91/93/1378069193.db2.gz SNSVFJNNGVGFSV-HOTGVXAUSA-N 0 3 326.843 3.444 20 10 EGCDHN CC(C)=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccccc1[O-] ZINC001272618698 1378076643 /nfs/dbraw/zinc/07/66/43/1378076643.db2.gz NHLTXFFNIWWMOS-HXUWFJFHSA-N 0 3 328.456 3.315 20 10 EGCDHN CC(C)=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccccc1[O-] ZINC001272618698 1378076647 /nfs/dbraw/zinc/07/66/47/1378076647.db2.gz NHLTXFFNIWWMOS-HXUWFJFHSA-N 0 3 328.456 3.315 20 10 EGCDHN CCOc1ccccc1N1CCN(Cc2ccc(O)c(C)c2O)CC1 ZINC001140742765 1378128509 /nfs/dbraw/zinc/12/85/09/1378128509.db2.gz YGZQVMCKTFMQSG-UHFFFAOYSA-N 0 3 342.439 3.127 20 10 EGCDHN Cc1ccc(N2CCN(Cc3ccc(O)c(C)c3O)CC2)cc1C ZINC001140742706 1378128525 /nfs/dbraw/zinc/12/85/25/1378128525.db2.gz WDCCDVWHFANTRE-UHFFFAOYSA-N 0 3 326.440 3.345 20 10 EGCDHN Cc1c(O)ccc(CN2CCN(c3ccc4ccccc4n3)CC2)c1O ZINC001140748774 1378129041 /nfs/dbraw/zinc/12/90/41/1378129041.db2.gz JQYNFKOOKJHQFN-UHFFFAOYSA-N 0 3 349.434 3.277 20 10 EGCDHN Cc1c(O)ccc(CN2CCN([C@H](C)c3ccccc3)CC2)c1O ZINC001140747375 1378129138 /nfs/dbraw/zinc/12/91/38/1378129138.db2.gz ASRDAUUMUBEASY-MRXNPFEDSA-N 0 3 326.440 3.285 20 10 EGCDHN Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)c([O-])c1 ZINC001140947930 1378188617 /nfs/dbraw/zinc/18/86/17/1378188617.db2.gz LWAUGVUCYZDGTQ-WBVHZDCISA-N 0 3 346.471 3.389 20 10 EGCDHN Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)c([O-])c1 ZINC001140947930 1378188623 /nfs/dbraw/zinc/18/86/23/1378188623.db2.gz LWAUGVUCYZDGTQ-WBVHZDCISA-N 0 3 346.471 3.389 20 10 EGCDHN Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)c([O-])c1 ZINC001140954318 1378191473 /nfs/dbraw/zinc/19/14/73/1378191473.db2.gz QBKMGUGCHYNEKE-BHYGNILZSA-N 0 3 346.471 3.436 20 10 EGCDHN Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)c([O-])c1 ZINC001140954318 1378191478 /nfs/dbraw/zinc/19/14/78/1378191478.db2.gz QBKMGUGCHYNEKE-BHYGNILZSA-N 0 3 346.471 3.436 20 10 EGCDHN Cc1ccc(C[NH+]2CCC3(C[C@@H](c4cncnc4)CO3)CC2)c([O-])c1 ZINC001140952466 1378192277 /nfs/dbraw/zinc/19/22/77/1378192277.db2.gz STJCVWLVCCBODS-QGZVFWFLSA-N 0 3 339.439 3.029 20 10 EGCDHN COc1cc([O-])c(C[NH+]2CCC(c3cccc(O)c3)CC2)c(OC)c1 ZINC001141030970 1378214007 /nfs/dbraw/zinc/21/40/07/1378214007.db2.gz SMBCRPHINYTVBW-UHFFFAOYSA-N 0 3 343.423 3.495 20 10 EGCDHN COc1ccccc1O[C@@H]1CCCN(Cc2cc(O)ccc2O)C1 ZINC001141158467 1378253861 /nfs/dbraw/zinc/25/38/61/1378253861.db2.gz AMGHWHXEPAJOIA-MRXNPFEDSA-N 0 3 329.396 3.150 20 10 EGCDHN O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1cccc(O)c1[O-])CC2 ZINC001172901491 1384874316 /nfs/dbraw/zinc/87/43/16/1384874316.db2.gz ITYIBJBUZWEJSW-HNNXBMFYSA-N 0 3 328.368 3.043 20 10 EGCDHN CCOC(=O)[C@@H]1CC12CCC([N@@H+]1CCc3cccc([O-])c3C1)CC2 ZINC001173623406 1384990753 /nfs/dbraw/zinc/99/07/53/1384990753.db2.gz PJNWKSMIMJUXKG-CMVHYPBASA-N 0 3 329.440 3.262 20 10 EGCDHN CCOC(=O)[C@@H]1CC12CCC([N@H+]1CCc3cccc([O-])c3C1)CC2 ZINC001173623406 1384990756 /nfs/dbraw/zinc/99/07/56/1384990756.db2.gz PJNWKSMIMJUXKG-CMVHYPBASA-N 0 3 329.440 3.262 20 10 EGCDHN C[C@H]([NH2+][C@H]1CCCN(C(=O)c2ccccc2)C1)c1cc(F)ccc1[O-] ZINC001321027032 1386787425 /nfs/dbraw/zinc/78/74/25/1386787425.db2.gz ICAHJKPINALYLD-YOEHRIQHSA-N 0 3 342.414 3.487 20 10 EGCDHN COc1ccc(CNC/C=C\CNC(=O)[C@@H]2CCCC23CC3)cc1C ZINC001754139146 1440544038 /nfs/dbraw/zinc/54/40/38/1440544038.db2.gz WYPGVDUETLQQEU-JXCVUKRWSA-N 0 3 342.483 3.346 20 10 EGCDHN COc1ccc(CNC/C=C/CNC(=O)C2CCC(F)CC2)cc1C ZINC001754166357 1440546524 /nfs/dbraw/zinc/54/65/24/1440546524.db2.gz KBPCMRNQSBSXJG-ONEGZZNKSA-N 0 3 348.462 3.294 20 10 EGCDHN COc1ccc(CNC2(CNC(=O)C3CCCCC3)CC2)cc1C ZINC001754507427 1440616855 /nfs/dbraw/zinc/61/68/55/1440616855.db2.gz FCYQEAVXVCTQRZ-UHFFFAOYSA-N 0 3 330.472 3.322 20 10 EGCDHN Cc1cc([O-])c(C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)cc1C ZINC000054471300 214239613 /nfs/dbraw/zinc/23/96/13/214239613.db2.gz OTTDFBODUGTISW-HNNXBMFYSA-N 0 3 344.499 3.480 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCOC[C@@H]2C)c1[O-] ZINC000289186301 456117073 /nfs/dbraw/zinc/11/70/73/456117073.db2.gz AOYPJTNGXFZGMZ-RYUDHWBXSA-N 0 3 328.250 3.225 20 10 EGCDHN [O-]c1ccccc1C[NH2+]C[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000238101899 455253968 /nfs/dbraw/zinc/25/39/68/455253968.db2.gz NMDOFSHAYIWENL-GOSISDBHSA-N 0 3 346.858 3.209 20 10 EGCDHN COc1cccc(C[NH2+]C2CCN(Cc3ccccc3)CC2)c1[O-] ZINC000076272165 453985315 /nfs/dbraw/zinc/98/53/15/453985315.db2.gz ONSROLDQESGQGD-UHFFFAOYSA-N 0 3 326.440 3.155 20 10 EGCDHN CCc1nsc(N2CCCN(Cc3cc(C)c(C)cc3O)CC2)n1 ZINC000266432503 455429014 /nfs/dbraw/zinc/42/90/14/455429014.db2.gz IYLBUCLAWMUQTB-UHFFFAOYSA-N 0 3 346.500 3.135 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC(c3nncn3C)CC2)cc1F ZINC000091795063 454473304 /nfs/dbraw/zinc/47/33/04/454473304.db2.gz MLNBSAKEPYJFLO-UHFFFAOYSA-N 0 3 345.466 3.180 20 10 EGCDHN c1cn(CC2CCN(Cc3ccc(N4CCCCC4)cc3)CC2)nn1 ZINC000092097997 454521227 /nfs/dbraw/zinc/52/12/27/454521227.db2.gz BLSOELFSTPGTAW-UHFFFAOYSA-N 0 3 339.487 3.181 20 10 EGCDHN c1cc(N2CCOCC2)ccc1CN1CCC(OC2CCCC2)CC1 ZINC000092758747 454627531 /nfs/dbraw/zinc/62/75/31/454627531.db2.gz YQMPFMSVDXVUEL-UHFFFAOYSA-N 0 3 344.499 3.447 20 10 EGCDHN CCOc1ccc([O-])c(C[N@H+](CCO)[C@@H]2CCc3ccccc32)c1 ZINC000093388068 454709752 /nfs/dbraw/zinc/70/97/52/454709752.db2.gz UWKBOMSZCLCPGC-LJQANCHMSA-N 0 3 327.424 3.273 20 10 EGCDHN CCOc1ccc([O-])c(C[N@@H+](CCO)[C@@H]2CCc3ccccc32)c1 ZINC000093388068 454709754 /nfs/dbraw/zinc/70/97/54/454709754.db2.gz UWKBOMSZCLCPGC-LJQANCHMSA-N 0 3 327.424 3.273 20 10 EGCDHN Cc1ccc(S(=O)(=O)C[C@@H](C)NCc2cc(C)c(C)cc2O)cc1 ZINC000152743004 454719279 /nfs/dbraw/zinc/71/92/79/454719279.db2.gz IAZLUTDOBJVSFL-MRXNPFEDSA-N 0 3 347.480 3.269 20 10 EGCDHN C[N@H+](CCC(=O)NCc1ccccc1Cl)Cc1ccccc1[O-] ZINC000109772939 454835539 /nfs/dbraw/zinc/83/55/39/454835539.db2.gz WIBJEGLKCQVKGZ-UHFFFAOYSA-N 0 3 332.831 3.184 20 10 EGCDHN C[N@@H+](CCC(=O)NCc1ccccc1Cl)Cc1ccccc1[O-] ZINC000109772939 454835544 /nfs/dbraw/zinc/83/55/44/454835544.db2.gz WIBJEGLKCQVKGZ-UHFFFAOYSA-N 0 3 332.831 3.184 20 10 EGCDHN CC(=O)c1ccc(NC(=O)CC[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000109771403 454836022 /nfs/dbraw/zinc/83/60/22/454836022.db2.gz NYPYKYNLTYRXCJ-UHFFFAOYSA-N 0 3 326.396 3.055 20 10 EGCDHN CC(=O)c1ccc(NC(=O)CC[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000109771403 454836024 /nfs/dbraw/zinc/83/60/24/454836024.db2.gz NYPYKYNLTYRXCJ-UHFFFAOYSA-N 0 3 326.396 3.055 20 10 EGCDHN Cc1ccc(O)c(CN2CCN(c3ncnc4sccc43)CC2)c1 ZINC000125659687 454837868 /nfs/dbraw/zinc/83/78/68/454837868.db2.gz KSONNPYGRRLTIZ-UHFFFAOYSA-N 0 3 340.452 3.028 20 10 EGCDHN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000151072562 454933347 /nfs/dbraw/zinc/93/33/47/454933347.db2.gz SHBDLGMTSABIOC-OAHLLOKOSA-N 0 3 341.411 3.282 20 10 EGCDHN CCN(C)c1ccc([C@@H](C)NCc2cccc(C(=O)NC)c2)cc1 ZINC000178688293 454968473 /nfs/dbraw/zinc/96/84/73/454968473.db2.gz NGVGKLPFOYYSSH-OAHLLOKOSA-N 0 3 325.456 3.353 20 10 EGCDHN CC[C@@H]([NH2+]C[C@H](O)COc1ccc(F)c(F)c1)c1ccccc1[O-] ZINC000155705352 455034298 /nfs/dbraw/zinc/03/42/98/455034298.db2.gz CFTCXALYOWXTJY-YVEFUNNKSA-N 0 3 337.366 3.151 20 10 EGCDHN CN(C)c1ccc(CN2CCC(CN3CCCCC3=O)CC2)cc1F ZINC000128777748 455082586 /nfs/dbraw/zinc/08/25/86/455082586.db2.gz ASVFGBQBJBCXNC-UHFFFAOYSA-N 0 3 347.478 3.116 20 10 EGCDHN COc1cccc(C[NH2+]C[C@@H](c2ccco2)N2CCCCC2)c1[O-] ZINC000237382970 455180048 /nfs/dbraw/zinc/18/00/48/455180048.db2.gz OSQFAIBWLDSQON-INIZCTEOSA-N 0 3 330.428 3.311 20 10 EGCDHN Cc1cccc(CN2CCc3c(cccc3N3CCOC3=O)C2)c1O ZINC000180519952 455188510 /nfs/dbraw/zinc/18/85/10/455188510.db2.gz WMBWHSAATBYBNG-UHFFFAOYSA-N 0 3 338.407 3.216 20 10 EGCDHN CCCOc1ccc(C[NH2+]C2CCN(CC(F)(F)F)CC2)c([O-])c1 ZINC000264096096 455190126 /nfs/dbraw/zinc/19/01/26/455190126.db2.gz XQJDEUVBTVRDOX-UHFFFAOYSA-N 0 3 346.393 3.297 20 10 EGCDHN CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CC)cc1)c1ccccc1[O-] ZINC000157496783 455199961 /nfs/dbraw/zinc/19/99/61/455199961.db2.gz JVCZYFGLIYIFJC-QGZVFWFLSA-N 0 3 333.453 3.427 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@]3(CCOC3)C2)c1[O-] ZINC000180615595 455209042 /nfs/dbraw/zinc/20/90/42/455209042.db2.gz CERYWYSKZFZFLI-HNNXBMFYSA-N 0 3 326.234 3.076 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@]3(CCOC3)C2)c1[O-] ZINC000180615595 455209043 /nfs/dbraw/zinc/20/90/43/455209043.db2.gz CERYWYSKZFZFLI-HNNXBMFYSA-N 0 3 326.234 3.076 20 10 EGCDHN CCS(=O)(=O)c1ccc([C@H](C)NCc2ccc(N(C)C)cc2)cc1 ZINC000158813260 455330996 /nfs/dbraw/zinc/33/09/96/455330996.db2.gz XZJZTFLRNKUDTB-HNNXBMFYSA-N 0 3 346.496 3.397 20 10 EGCDHN [O-]c1ccccc1C[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000184169015 455358585 /nfs/dbraw/zinc/35/85/85/455358585.db2.gz WBPQXNCLTQDHJD-UHFFFAOYSA-N 0 3 327.359 3.304 20 10 EGCDHN COc1cc(O)c(CN[C@H]2CCOc3c(F)cccc32)cc1OC ZINC000191196913 455461779 /nfs/dbraw/zinc/46/17/79/455461779.db2.gz NPGUSBUURKSXRM-AWEZNQCLSA-N 0 3 333.359 3.162 20 10 EGCDHN CCC(CC)C(=O)N1CCC([NH2+][C@@H](C)c2cc(OC)ccc2[O-])CC1 ZINC000185077505 455496553 /nfs/dbraw/zinc/49/65/53/455496553.db2.gz MICQRWHDURDKSV-AWEZNQCLSA-N 0 3 348.487 3.479 20 10 EGCDHN CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2cc(C)ccc2[O-])cc1 ZINC000185122731 455506472 /nfs/dbraw/zinc/50/64/72/455506472.db2.gz JKQYXPODRZXPSF-UONOGXRCSA-N 0 3 348.468 3.021 20 10 EGCDHN C[C@H](NCc1ccc2c(c1)CCCN2C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284096011 455635163 /nfs/dbraw/zinc/63/51/63/455635163.db2.gz MOGJKUSCCFCXDQ-ZDUSSCGKSA-N 0 3 340.427 3.410 20 10 EGCDHN CC(C)(C)OC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3[O-])C2)C1 ZINC000284396152 455678778 /nfs/dbraw/zinc/67/87/78/455678778.db2.gz PMIMCMAOONBKSH-IBGZPJMESA-N 0 3 332.444 3.225 20 10 EGCDHN CC(C)(C)OC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3[O-])C2)C1 ZINC000284396152 455678781 /nfs/dbraw/zinc/67/87/81/455678781.db2.gz PMIMCMAOONBKSH-IBGZPJMESA-N 0 3 332.444 3.225 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCc2ccc3c(c2)OCCO3)c1 ZINC000192873230 455709523 /nfs/dbraw/zinc/70/95/23/455709523.db2.gz RRJSZZUZOQYSKB-CYBMUJFWSA-N 0 3 329.396 3.065 20 10 EGCDHN C[C@H](NC[C@@H](O)c1ccccc1F)c1ccc(N2CCOCC2)cc1 ZINC000268826185 455715419 /nfs/dbraw/zinc/71/54/19/455715419.db2.gz YYZGZORUBWCQEU-MGPUTAFESA-N 0 3 344.430 3.047 20 10 EGCDHN C[C@@H](NC[C@H](O)c1cnn(C)c1)c1ccc(N2CCCCCC2)cc1 ZINC000268904105 455724708 /nfs/dbraw/zinc/72/47/08/455724708.db2.gz PGLHCCZYLZKNJH-UZLBHIALSA-N 0 3 342.487 3.185 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCO[C@@H](C)C2)c1[O-] ZINC000271811247 455770330 /nfs/dbraw/zinc/77/03/30/455770330.db2.gz KVMMYGBGSRRLFC-NWDGAFQWSA-N 0 3 328.250 3.368 20 10 EGCDHN CCOc1cccc(C[NH+]2CCC(CO)(c3ccccc3)CC2)c1[O-] ZINC000293510674 455789468 /nfs/dbraw/zinc/78/94/68/455789468.db2.gz AALGJFSMTIJRLA-UHFFFAOYSA-N 0 3 341.451 3.317 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2[O-])CCN1C(=O)OC(C)(C)C ZINC000278240599 455794485 /nfs/dbraw/zinc/79/44/85/455794485.db2.gz LKVWFZJEURIKEE-IUODEOHRSA-N 0 3 338.423 3.409 20 10 EGCDHN CCS(=O)(=O)CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000293683382 455794939 /nfs/dbraw/zinc/79/49/39/455794939.db2.gz KMNRRTMPWZCWEQ-SFHVURJKSA-N 0 3 347.480 3.090 20 10 EGCDHN Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)c([O-])c1 ZINC000293945031 455800994 /nfs/dbraw/zinc/80/09/94/455800994.db2.gz YWIHFQVFRWCXFX-HNNXBMFYSA-N 0 3 347.480 3.404 20 10 EGCDHN CCOCc1cc(CNC[C@H](O)c2ccc(C)cc2)ccc1OC ZINC000278539998 455838514 /nfs/dbraw/zinc/83/85/14/455838514.db2.gz XEGMJNRORZLKOF-IBGZPJMESA-N 0 3 329.440 3.363 20 10 EGCDHN COCC1=CCN(Cc2ccc(N3CCC(OC)CC3)cc2)CC1 ZINC000295629019 455855807 /nfs/dbraw/zinc/85/58/07/455855807.db2.gz BBJWUUWPFRJCMO-UHFFFAOYSA-N 0 3 330.472 3.080 20 10 EGCDHN Cc1cc(C)n(-c2ccc(C[NH2+][C@H]3CCc4cccc([O-])c43)cn2)n1 ZINC000295960135 455864464 /nfs/dbraw/zinc/86/44/64/455864464.db2.gz MBCSEKNPYDWUHG-KRWDZBQOSA-N 0 3 334.423 3.367 20 10 EGCDHN CC[C@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1ccc(C)cc1[O-] ZINC000285532026 455864607 /nfs/dbraw/zinc/86/46/07/455864607.db2.gz COQLPDGKERBTEF-HNNXBMFYSA-N 0 3 325.474 3.099 20 10 EGCDHN CC[C@@H]([NH2+]C[C@H](O)c1cc(OC)cc(OC)c1)c1ccc(C)cc1[O-] ZINC000280092007 455889478 /nfs/dbraw/zinc/88/94/78/455889478.db2.gz MLSKQIPCXXURAF-QUCCMNQESA-N 0 3 345.439 3.492 20 10 EGCDHN CC[C@@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1ccc(C)cc1[O-] ZINC000280175779 455909142 /nfs/dbraw/zinc/90/91/42/455909142.db2.gz RJIVWZXEMGWNJO-GOSISDBHSA-N 0 3 347.480 3.486 20 10 EGCDHN C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(CO)c1 ZINC000270420661 455951669 /nfs/dbraw/zinc/95/16/69/455951669.db2.gz FGBITDXDZCTYOV-HNNXBMFYSA-N 0 3 344.430 3.005 20 10 EGCDHN Cc1cnccc1CNCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000296512325 455959466 /nfs/dbraw/zinc/95/94/66/455959466.db2.gz RPHDKQNYSVFVQQ-HOTGVXAUSA-N 0 3 343.446 3.433 20 10 EGCDHN COc1ccccc1-n1nccc1CNCc1ccc(N(C)C)cc1 ZINC000280404570 455964498 /nfs/dbraw/zinc/96/44/98/455964498.db2.gz AQHVAKHZYDLWFZ-UHFFFAOYSA-N 0 3 336.439 3.237 20 10 EGCDHN COC(=O)Nc1ccc(CC[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000296713891 456017143 /nfs/dbraw/zinc/01/71/43/456017143.db2.gz IIDQXLUOXICNNF-INIZCTEOSA-N 0 3 326.396 3.390 20 10 EGCDHN CCOCc1cc(CN[C@@H](C)[C@@H](O)c2ccccc2)ccc1OC ZINC000288634067 456101702 /nfs/dbraw/zinc/10/17/02/456101702.db2.gz SZVPQJYAZIBDSN-MGPUTAFESA-N 0 3 329.440 3.443 20 10 EGCDHN CN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289678268 456136913 /nfs/dbraw/zinc/13/69/13/456136913.db2.gz NUPSURFEUVIJCX-PBWFPOADSA-N 0 3 339.823 3.011 20 10 EGCDHN CN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289678268 456136916 /nfs/dbraw/zinc/13/69/16/456136916.db2.gz NUPSURFEUVIJCX-PBWFPOADSA-N 0 3 339.823 3.011 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC(CCC(N)=O)CC2)cc1F ZINC000271166086 456151038 /nfs/dbraw/zinc/15/10/38/456151038.db2.gz CLGLPFQERQMHSA-UHFFFAOYSA-N 0 3 335.467 3.149 20 10 EGCDHN CC(C)C1CCC(N2CCN(C(=O)Cc3ccc(N)cc3)CC2)CC1 ZINC000236591763 456158009 /nfs/dbraw/zinc/15/80/09/456158009.db2.gz DKHSCBHHRLMQQV-UHFFFAOYSA-N 0 3 343.515 3.170 20 10 EGCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CCC[C@H](OCCO)C1 ZINC000271208839 456172764 /nfs/dbraw/zinc/17/27/64/456172764.db2.gz XHXKWCZJJGSQCU-IBGZPJMESA-N 0 3 327.424 3.033 20 10 EGCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CCC[C@H](OCCO)C1 ZINC000271208839 456172770 /nfs/dbraw/zinc/17/27/70/456172770.db2.gz XHXKWCZJJGSQCU-IBGZPJMESA-N 0 3 327.424 3.033 20 10 EGCDHN COc1cccc(CN2CCC[C@@H](Oc3ccccc3OC)C2)c1O ZINC000289929610 456185355 /nfs/dbraw/zinc/18/53/55/456185355.db2.gz XVZCQBQICYCBFG-MRXNPFEDSA-N 0 3 343.423 3.453 20 10 EGCDHN COc1cccc(CNCc2ccc(OC(C)C)c(OC)c2)c1O ZINC000263680593 456191404 /nfs/dbraw/zinc/19/14/04/456191404.db2.gz MLQCAFMTZGACQF-UHFFFAOYSA-N 0 3 331.412 3.486 20 10 EGCDHN COCCOCc1ccc(C[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000297404082 456211990 /nfs/dbraw/zinc/21/19/90/456211990.db2.gz SRMZFOWLBJKUNP-SFHVURJKSA-N 0 3 327.424 3.332 20 10 EGCDHN Cc1ccc(CN2CC[C@H]([NH2+][C@H](C)c3ccc(C)cc3[O-])C2=O)cc1 ZINC000189080173 456220545 /nfs/dbraw/zinc/22/05/45/456220545.db2.gz AKBODNNYKMATIF-APWZRJJASA-N 0 3 338.451 3.461 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000273390232 456227324 /nfs/dbraw/zinc/22/73/24/456227324.db2.gz KKBRETWALKDFQJ-OAHLLOKOSA-N 0 3 342.439 3.088 20 10 EGCDHN Cc1ccc([C@H](C)N[C@H]2CCCN(CC(F)(F)F)C2=O)c(O)c1C ZINC000273546854 456237418 /nfs/dbraw/zinc/23/74/18/456237418.db2.gz ZPKKIGLVHZPWSJ-JSGCOSHPSA-N 0 3 344.377 3.213 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)c([O-])c1C ZINC000273546854 456237422 /nfs/dbraw/zinc/23/74/22/456237422.db2.gz ZPKKIGLVHZPWSJ-JSGCOSHPSA-N 0 3 344.377 3.213 20 10 EGCDHN Cc1ccc([C@@H](C)N[C@H]2CCCN(CC(F)(F)F)C2=O)c(O)c1C ZINC000273546860 456238089 /nfs/dbraw/zinc/23/80/89/456238089.db2.gz ZPKKIGLVHZPWSJ-OCCSQVGLSA-N 0 3 344.377 3.213 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)c([O-])c1C ZINC000273546860 456238093 /nfs/dbraw/zinc/23/80/93/456238093.db2.gz ZPKKIGLVHZPWSJ-OCCSQVGLSA-N 0 3 344.377 3.213 20 10 EGCDHN COc1ccc(O)c([C@@H](C)NCc2cccc(C(=O)NC3CC3)c2)c1 ZINC000273604891 456241164 /nfs/dbraw/zinc/24/11/64/456241164.db2.gz SZVODBRNXBNTJM-CYBMUJFWSA-N 0 3 340.423 3.144 20 10 EGCDHN [O-]c1cc2c(cc1C[NH2+]C1CCC(O)(c3ccccc3)CC1)OCO2 ZINC000273721896 456243158 /nfs/dbraw/zinc/24/31/58/456243158.db2.gz MLMRUOZRLGUYAP-UHFFFAOYSA-N 0 3 341.407 3.041 20 10 EGCDHN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1(N)CCCCC1 ZINC000237216833 456248330 /nfs/dbraw/zinc/24/83/30/456248330.db2.gz KVRMEQUFKUFUTO-UHFFFAOYSA-N 0 3 329.488 3.297 20 10 EGCDHN CCOCCCN1CC[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)[C@@H](C)C1 ZINC000297549396 456249833 /nfs/dbraw/zinc/24/98/33/456249833.db2.gz FOGDUNIPKURBRW-SZMVWBNQSA-N 0 3 332.488 3.106 20 10 EGCDHN COc1ccc(N2CCC(NCc3ccc(OC)c(O)c3)CC2)cc1 ZINC000237261764 456256684 /nfs/dbraw/zinc/25/66/84/456256684.db2.gz ASFXNDBPAWEXLI-UHFFFAOYSA-N 0 3 342.439 3.168 20 10 EGCDHN CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000275498104 456275857 /nfs/dbraw/zinc/27/58/57/456275857.db2.gz JJPIDORYQOCHEX-HOCLYGCPSA-N 0 3 335.835 3.190 20 10 EGCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+](CCO)C1CCOCC1 ZINC000276030097 456374546 /nfs/dbraw/zinc/37/45/46/456374546.db2.gz RNBJKTWMUYMANT-UHFFFAOYSA-N 0 3 327.424 3.033 20 10 EGCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+](CCO)C1CCOCC1 ZINC000276030097 456374552 /nfs/dbraw/zinc/37/45/52/456374552.db2.gz RNBJKTWMUYMANT-UHFFFAOYSA-N 0 3 327.424 3.033 20 10 EGCDHN C[C@@H]([NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1)c1cc(F)ccc1[O-] ZINC000282436893 456513071 /nfs/dbraw/zinc/51/30/71/456513071.db2.gz MSZPLCAWASDJCS-CZUORRHYSA-N 0 3 343.402 3.488 20 10 EGCDHN COc1ccc([C@@H](O)C2CC[NH+](Cc3ccccc3[O-])CC2)cc1 ZINC000291155945 456549189 /nfs/dbraw/zinc/54/91/89/456549189.db2.gz BWTIUVWKNFYHGI-HXUWFJFHSA-N 0 3 327.424 3.346 20 10 EGCDHN CN(C)c1ccc(CN2CC[C@@](CO)(c3ccccc3)C2)cc1F ZINC000291262384 456583036 /nfs/dbraw/zinc/58/30/36/456583036.db2.gz NBHAFCWHPXARBU-HXUWFJFHSA-N 0 3 328.431 3.028 20 10 EGCDHN Cc1ccc(O)c([C@H](C)NCCS(=O)(=O)CCc2ccccc2)c1 ZINC000282731750 456606094 /nfs/dbraw/zinc/60/60/94/456606094.db2.gz MOYGAHFHZXWXAP-INIZCTEOSA-N 0 3 347.480 3.009 20 10 EGCDHN COc1ccc(CN[C@H]2CCN(C(=O)Nc3ccccc3)C2)cc1C ZINC000282881736 456653628 /nfs/dbraw/zinc/65/36/28/456653628.db2.gz CRUVPLMOQFYNGN-SFHVURJKSA-N 0 3 339.439 3.400 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c1[O-] ZINC000359955436 457171395 /nfs/dbraw/zinc/17/13/95/457171395.db2.gz IHKIWBKWHGYSAM-APHBMKBZSA-N 0 3 325.836 3.347 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000363846706 457454219 /nfs/dbraw/zinc/45/42/19/457454219.db2.gz LWIZRYMRCRPLQQ-SFHVURJKSA-N 0 3 349.434 3.341 20 10 EGCDHN COc1cccc(CNCc2c[nH]nc2-c2ccccc2F)c1O ZINC000368046543 458006269 /nfs/dbraw/zinc/00/62/69/458006269.db2.gz YYTKADCMSAHXPW-UHFFFAOYSA-N 0 3 327.359 3.220 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1)OCO2 ZINC000362389243 458145810 /nfs/dbraw/zinc/14/58/10/458145810.db2.gz NBVJNSOGBDQUTE-JXFKEZNVSA-N 0 3 341.407 3.209 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1)OCO2 ZINC000362389243 458145812 /nfs/dbraw/zinc/14/58/12/458145812.db2.gz NBVJNSOGBDQUTE-JXFKEZNVSA-N 0 3 341.407 3.209 20 10 EGCDHN COc1ccc(N2CCC(N[C@H](C)c3ccncc3OC)CC2)cc1 ZINC000377010707 458439429 /nfs/dbraw/zinc/43/94/29/458439429.db2.gz VJXOYZUFLPWMGT-OAHLLOKOSA-N 0 3 341.455 3.418 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)c1[O-] ZINC000373368104 458473416 /nfs/dbraw/zinc/47/34/16/458473416.db2.gz CVJYNPDGIPBSEQ-SJORKVTESA-N 0 3 325.836 3.349 20 10 EGCDHN CCOCc1cc(CNCc2ccc3cn(C)nc3c2)ccc1OC ZINC000527763544 459729452 /nfs/dbraw/zinc/72/94/52/459729452.db2.gz PSPLMNJJPXFQGW-UHFFFAOYSA-N 0 3 339.439 3.408 20 10 EGCDHN C[C@H](N[C@H]1Cc2ccccc2NC1=O)c1cc2c(cc1O)CCCC2 ZINC000527999407 459791636 /nfs/dbraw/zinc/79/16/36/459791636.db2.gz KYRRIUASGMGPQV-DJJJIMSYSA-N 0 3 336.435 3.485 20 10 EGCDHN O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCCN1C1CCCC1 ZINC000269714401 547341956 /nfs/dbraw/zinc/34/19/56/547341956.db2.gz RVZUKEVEYMEIJT-FQEVSTJZSA-N 0 3 341.499 3.310 20 10 EGCDHN COc1ccc2c(c1)CCCN(Cc1cc3c(cc1O)OCO3)C2 ZINC000728563642 574759708 /nfs/dbraw/zinc/75/97/08/574759708.db2.gz LLWVSLUCRMYCLT-UHFFFAOYSA-N 0 3 327.380 3.078 20 10 EGCDHN Cc1cc(C(=O)N(C)CCN(C)C)c(C)n1-c1ccc(Cl)cc1 ZINC000754352997 575026034 /nfs/dbraw/zinc/02/60/34/575026034.db2.gz CWXNVNRANMIGBT-UHFFFAOYSA-N 0 3 333.863 3.381 20 10 EGCDHN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H]1CCCN(C)C1 ZINC000731024550 575045615 /nfs/dbraw/zinc/04/56/15/575045615.db2.gz FYGQLUONIPBGTF-OAHLLOKOSA-N 0 3 331.485 3.227 20 10 EGCDHN COc1ccc(C2(NCc3ccc4c(c3)CCO4)CCOCC2)cc1 ZINC000732201434 575243784 /nfs/dbraw/zinc/24/37/84/575243784.db2.gz AKKKGMZHPYUZKK-UHFFFAOYSA-N 0 3 339.435 3.426 20 10 EGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCN1CCSCC1 ZINC000732822263 575289857 /nfs/dbraw/zinc/28/98/57/575289857.db2.gz HIDGKNUAZSUEGK-UHFFFAOYSA-N 0 3 328.481 3.198 20 10 EGCDHN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](CN(C)C)C(C)C)cc1 ZINC000733167662 575312250 /nfs/dbraw/zinc/31/22/50/575312250.db2.gz YEUOJYBCFORASF-LJQANCHMSA-N 0 3 327.472 3.410 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+](CCc1ccc(F)cc1)C1CC1)OCO2 ZINC000735074087 575597705 /nfs/dbraw/zinc/59/77/05/575597705.db2.gz WCWPXKOBDCXTEY-UHFFFAOYSA-N 0 3 329.371 3.467 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+](CCc1ccc(F)cc1)C1CC1)OCO2 ZINC000735074087 575597708 /nfs/dbraw/zinc/59/77/08/575597708.db2.gz WCWPXKOBDCXTEY-UHFFFAOYSA-N 0 3 329.371 3.467 20 10 EGCDHN CC[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccncc1 ZINC000742372745 576775193 /nfs/dbraw/zinc/77/51/93/576775193.db2.gz VPBNMBJTMGWXNZ-GOSISDBHSA-N 0 3 329.419 3.298 20 10 EGCDHN CN(C)c1ccc([C@H](CNC(=O)Nc2ccccc2F)N(C)C)cc1 ZINC000038635606 1291403846 /nfs/dbraw/zinc/40/38/46/1291403846.db2.gz NKDDYQZNGPZKKW-SFHVURJKSA-N 0 3 344.434 3.316 20 10 EGCDHN CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000827751875 1292365977 /nfs/dbraw/zinc/36/59/77/1292365977.db2.gz XRGTWFMULLRGAL-RHSMWYFYSA-N 0 3 341.835 3.266 20 10 EGCDHN C[N@H+](Cc1ccc(OCc2ccccc2)cc1[O-])C1(CO)CCC1 ZINC000827903642 1292397681 /nfs/dbraw/zinc/39/76/81/1292397681.db2.gz MONNNBXMFWRFKI-UHFFFAOYSA-N 0 3 327.424 3.318 20 10 EGCDHN C[N@@H+](Cc1ccc(OCc2ccccc2)cc1[O-])C1(CO)CCC1 ZINC000827903642 1292397690 /nfs/dbraw/zinc/39/76/90/1292397690.db2.gz MONNNBXMFWRFKI-UHFFFAOYSA-N 0 3 327.424 3.318 20 10 EGCDHN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000827951390 1292411662 /nfs/dbraw/zinc/41/16/62/1292411662.db2.gz YMOGAGMMUMYHNM-CYBMUJFWSA-N 0 3 326.843 3.396 20 10 EGCDHN CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000834768256 1293144070 /nfs/dbraw/zinc/14/40/70/1293144070.db2.gz ACZOMSMOZNDNJK-VNQPRFMTSA-N 0 3 332.444 3.226 20 10 EGCDHN C[C@H]([NH2+][C@@H]1C[C@H](OC(C)(C)C)[C@H]1n1cccn1)c1ccccc1[O-] ZINC000834903097 1293170438 /nfs/dbraw/zinc/17/04/38/1293170438.db2.gz IVXRARPZGISBPU-DHXZDTOLSA-N 0 3 329.444 3.437 20 10 EGCDHN C[C@H](N[C@H]1C[C@@H]2CCCCN2C1=O)c1ccc(N2CCCCC2)cc1 ZINC000834916381 1293176209 /nfs/dbraw/zinc/17/62/09/1293176209.db2.gz WWJNRSGKURTDSB-VDGAXYAQSA-N 0 3 341.499 3.481 20 10 EGCDHN CCn1cc([C@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)cn1 ZINC000155326538 1294091930 /nfs/dbraw/zinc/09/19/30/1294091930.db2.gz WCQGDKNZQNRBGS-CVEARBPZSA-N 0 3 328.460 3.151 20 10 EGCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2cccc(C)c2C)c1 ZINC000182319836 1295035931 /nfs/dbraw/zinc/03/59/31/1295035931.db2.gz LDBSFBWUQHHOLX-CQSZACIVSA-N 0 3 328.412 3.307 20 10 EGCDHN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)C1CCN(C)CC1 ZINC000193876435 1295921563 /nfs/dbraw/zinc/92/15/63/1295921563.db2.gz LHXNUJSGIMGHLH-UHFFFAOYSA-N 0 3 331.485 3.322 20 10 EGCDHN COc1cc(C)cc(CN2CCN(Cc3ccccc3C)CC2)c1O ZINC000216347924 1296118842 /nfs/dbraw/zinc/11/88/42/1296118842.db2.gz FXJASYIUKDPSOW-UHFFFAOYSA-N 0 3 340.467 3.335 20 10 EGCDHN C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])CC[C@H]1O ZINC000250098022 1296455267 /nfs/dbraw/zinc/45/52/67/1296455267.db2.gz QYQATGIICBHXJU-DNVCBOLYSA-N 0 3 327.424 3.174 20 10 EGCDHN C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])CC[C@H]1O ZINC000250098022 1296455270 /nfs/dbraw/zinc/45/52/70/1296455270.db2.gz QYQATGIICBHXJU-DNVCBOLYSA-N 0 3 327.424 3.174 20 10 EGCDHN C[C@@H]([NH2+]CC(C)(C)N1CCN(C)CC1)c1ccc2ccccc2c1[O-] ZINC000326697882 1297240434 /nfs/dbraw/zinc/24/04/34/1297240434.db2.gz UMILIFRIYFDXNL-MRXNPFEDSA-N 0 3 341.499 3.222 20 10 EGCDHN CC[C@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccccc1[O-] ZINC000702555044 1298194510 /nfs/dbraw/zinc/19/45/10/1298194510.db2.gz YKBLNBXNRJWGPE-FPOVZHCZSA-N 0 3 340.467 3.070 20 10 EGCDHN [O-]c1c(F)cc(Br)cc1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000715778772 1298285844 /nfs/dbraw/zinc/28/58/44/1298285844.db2.gz MIOGRPFBDKOCIU-STQMWFEESA-N 0 3 343.240 3.010 20 10 EGCDHN [O-]c1c(F)cc(Br)cc1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000715778772 1298285856 /nfs/dbraw/zinc/28/58/56/1298285856.db2.gz MIOGRPFBDKOCIU-STQMWFEESA-N 0 3 343.240 3.010 20 10 EGCDHN COc1cccc([O-])c1C[NH2+]C[C@@H](c1ccc(C)o1)N1CCCC1 ZINC000725853764 1298377069 /nfs/dbraw/zinc/37/70/69/1298377069.db2.gz VOUOPYMTUZFCBU-INIZCTEOSA-N 0 3 330.428 3.229 20 10 EGCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000876559319 1298828541 /nfs/dbraw/zinc/82/85/41/1298828541.db2.gz YEJYCQATDXHJPN-MRXNPFEDSA-N 0 3 340.471 3.398 20 10 EGCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000876559319 1298828552 /nfs/dbraw/zinc/82/85/52/1298828552.db2.gz YEJYCQATDXHJPN-MRXNPFEDSA-N 0 3 340.471 3.398 20 10 EGCDHN [O-]c1ccc2ccccc2c1C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000748269500 1298971530 /nfs/dbraw/zinc/97/15/30/1298971530.db2.gz YRLBFXFBXMJYEQ-QGZVFWFLSA-N 0 3 327.424 3.315 20 10 EGCDHN Cc1ccc(CNCc2ccc(S(C)(=O)=O)c(Cl)c2)c(O)c1 ZINC000877476845 1299326989 /nfs/dbraw/zinc/32/69/89/1299326989.db2.gz OUUINZNFDVKWKQ-UHFFFAOYSA-N 0 3 339.844 3.047 20 10 EGCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](O)c1ccccc1Br ZINC000877576283 1299410682 /nfs/dbraw/zinc/41/06/82/1299410682.db2.gz IEXZRNYTYXCXOG-MRXNPFEDSA-N 0 3 336.229 3.286 20 10 EGCDHN CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000877755681 1299530808 /nfs/dbraw/zinc/53/08/08/1299530808.db2.gz LKOLATDDFMOZKS-UPJWGTAASA-N 0 3 327.371 3.410 20 10 EGCDHN Cc1cc(C)c(O)c(CN2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000754727590 1300203009 /nfs/dbraw/zinc/20/30/09/1300203009.db2.gz JKEZJVPHKZIBBV-UHFFFAOYSA-N 0 3 334.460 3.452 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccccc2)c2c1c(F)ccc2[O-] ZINC000756398655 1300484118 /nfs/dbraw/zinc/48/41/18/1300484118.db2.gz XNKFEBCRRSPJQF-DVOMOZLQSA-N 0 3 331.387 3.109 20 10 EGCDHN COc1cc([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2[O-])ccc1OCCO ZINC000756461149 1300497420 /nfs/dbraw/zinc/49/74/20/1300497420.db2.gz WBAQGMUBFISIST-STQMWFEESA-N 0 3 349.402 3.323 20 10 EGCDHN C[C@@H]([NH2+]CCNC(=O)c1ccc(Cl)cc1)c1cc(F)ccc1[O-] ZINC000756477596 1300500660 /nfs/dbraw/zinc/50/06/60/1300500660.db2.gz BSMLTEFQFKPSJI-LLVKDONJSA-N 0 3 336.794 3.265 20 10 EGCDHN C[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F)C(=O)NCc1ccccc1 ZINC000756482350 1300503131 /nfs/dbraw/zinc/50/31/31/1300503131.db2.gz JKRXOGRTXXJWKV-HEHGZKQESA-N 0 3 342.414 3.374 20 10 EGCDHN COc1cccc([C@H](O)C[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)c1 ZINC000756564269 1300522659 /nfs/dbraw/zinc/52/26/59/1300522659.db2.gz RSGRLCZZJCGILA-RGYTYGDFSA-N 0 3 331.387 3.411 20 10 EGCDHN CCc1ccc([C@H](C)NC(=O)C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000879647438 1300647480 /nfs/dbraw/zinc/64/74/80/1300647480.db2.gz CFCPLWCNFFLMOG-LSDHHAIUSA-N 0 3 326.440 3.483 20 10 EGCDHN CC[C@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)Nc1ccc(OC)cc1 ZINC000879649270 1300648776 /nfs/dbraw/zinc/64/87/76/1300648776.db2.gz OSLKSPLHMYJSCN-DYVFJYSZSA-N 0 3 328.412 3.469 20 10 EGCDHN CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648717 1300648835 /nfs/dbraw/zinc/64/88/35/1300648835.db2.gz ALYDUSRBECCYAA-KGLIPLIRSA-N 0 3 328.412 3.469 20 10 EGCDHN C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CCOc2ccccc21)c1ccccc1[O-] ZINC000879649150 1300649369 /nfs/dbraw/zinc/64/93/69/1300649369.db2.gz MTZXFFYKMFRJNJ-KEYYUXOJSA-N 0 3 340.423 3.071 20 10 EGCDHN CCOc1ccc(CN(C)Cc2cc(OC)c(OC)cc2O)cc1 ZINC000762171712 1301628604 /nfs/dbraw/zinc/62/86/04/1301628604.db2.gz QHIXFTBVOFEMQH-UHFFFAOYSA-N 0 3 331.412 3.440 20 10 EGCDHN C[C@@H](NC(=O)NC[C@H]1CCCCN1C1CC1)c1ccc(N(C)C)cc1 ZINC000764806470 1302139236 /nfs/dbraw/zinc/13/92/36/1302139236.db2.gz QHVWTLBKKZJSQM-DNVCBOLYSA-N 0 3 344.503 3.130 20 10 EGCDHN C[C@H](NCc1cccc(CO)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765803291 1302332722 /nfs/dbraw/zinc/33/27/22/1302332722.db2.gz YLYYFKCMVSMKOL-HNNXBMFYSA-N 0 3 344.430 3.005 20 10 EGCDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@@H]1CCCc2ccccc21 ZINC000768441938 1302904713 /nfs/dbraw/zinc/90/47/13/1302904713.db2.gz RBRFDCQMDDZRFJ-MJGOQNOKSA-N 0 3 325.408 3.327 20 10 EGCDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@@H]1CCCc2ccccc21 ZINC000768441938 1302904725 /nfs/dbraw/zinc/90/47/25/1302904725.db2.gz RBRFDCQMDDZRFJ-MJGOQNOKSA-N 0 3 325.408 3.327 20 10 EGCDHN CC[C@@H](c1ccncc1)[N@H+](CC)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768446224 1302906512 /nfs/dbraw/zinc/90/65/12/1302906512.db2.gz LDUKLTYZYDYXQT-FUHWJXTLSA-N 0 3 328.412 3.186 20 10 EGCDHN CC[C@@H](c1ccncc1)[N@@H+](CC)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768446224 1302906523 /nfs/dbraw/zinc/90/65/23/1302906523.db2.gz LDUKLTYZYDYXQT-FUHWJXTLSA-N 0 3 328.412 3.186 20 10 EGCDHN CCOc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C)c([O-])c1 ZINC000769401359 1303107337 /nfs/dbraw/zinc/10/73/37/1303107337.db2.gz JLSNCLNRJGZOTI-ZDUSSCGKSA-N 0 3 338.448 3.136 20 10 EGCDHN CCOc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C)c([O-])c1 ZINC000769401359 1303107339 /nfs/dbraw/zinc/10/73/39/1303107339.db2.gz JLSNCLNRJGZOTI-ZDUSSCGKSA-N 0 3 338.448 3.136 20 10 EGCDHN CCOC[C@@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000769533563 1303136059 /nfs/dbraw/zinc/13/60/59/1303136059.db2.gz PQUMCSUWFIYDNL-QGZVFWFLSA-N 0 3 347.459 3.444 20 10 EGCDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)NCc1ccccc1F ZINC000774480365 1303815354 /nfs/dbraw/zinc/81/53/54/1303815354.db2.gz AYFNURITUAVRTB-GJZGRUSLSA-N 0 3 343.446 3.247 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2ccc(C)cc2F)c1 ZINC000775369977 1303948014 /nfs/dbraw/zinc/94/80/14/1303948014.db2.gz DDPDMVWEVCRGCZ-LBPRGKRZSA-N 0 3 332.375 3.138 20 10 EGCDHN CC[C@@H]([NH2+]Cc1cccc(NS(C)(=O)=O)c1)c1ccccc1[O-] ZINC000775487837 1303972149 /nfs/dbraw/zinc/97/21/49/1303972149.db2.gz PQZJQBOUMVMPHZ-MRXNPFEDSA-N 0 3 334.441 3.005 20 10 EGCDHN CCc1cnc(CN(C)Cc2ccc(N3CCN(C)CC3)cc2)s1 ZINC000775727121 1304022733 /nfs/dbraw/zinc/02/27/33/1304022733.db2.gz JMDSJLBNXCNPQL-UHFFFAOYSA-N 0 3 344.528 3.089 20 10 EGCDHN C[C@@H](N[C@@H](C)C(=O)N[C@H]1CCCC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000775830695 1304045219 /nfs/dbraw/zinc/04/52/19/1304045219.db2.gz MMSIDBRZCGHWKU-JEWRLFTDSA-N 0 3 331.504 3.487 20 10 EGCDHN C[C@H](NCC(=O)NCCC1CCCCC1)c1ccc(N(C)C)cc1 ZINC000775832985 1304046634 /nfs/dbraw/zinc/04/66/34/1304046634.db2.gz DSISYYKQQANASH-INIZCTEOSA-N 0 3 331.504 3.490 20 10 EGCDHN C[C@@H]1CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@@H](C)CN1C ZINC000775984357 1304074875 /nfs/dbraw/zinc/07/48/75/1304074875.db2.gz FQOLNTDDIULJFJ-CVEARBPZSA-N 0 3 346.475 3.110 20 10 EGCDHN COc1cccc([O-])c1C[NH2+]CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000778203049 1304418349 /nfs/dbraw/zinc/41/83/49/1304418349.db2.gz IMTCCCSGRQUKLT-UHFFFAOYSA-N 0 3 348.443 3.058 20 10 EGCDHN CCN(CC)C(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cc(F)ccc1[O-] ZINC000779052654 1304523128 /nfs/dbraw/zinc/52/31/28/1304523128.db2.gz QWUMCHVATLLHDN-SFHVURJKSA-N 0 3 344.430 3.101 20 10 EGCDHN C[C@H](NCc1ccc(N(C)C)cc1)C(=O)N1c2ccccc2C[C@H]1C ZINC000781049318 1304763418 /nfs/dbraw/zinc/76/34/18/1304763418.db2.gz NPTDPOVUTQXPTR-CVEARBPZSA-N 0 3 337.467 3.209 20 10 EGCDHN CCCc1occc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247370 1304999185 /nfs/dbraw/zinc/99/91/85/1304999185.db2.gz JOFPXEKXFDLYPO-SFHVURJKSA-N 0 3 343.471 3.331 20 10 EGCDHN Cc1cc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)cnc1F ZINC000892728330 1305524737 /nfs/dbraw/zinc/52/47/37/1305524737.db2.gz ACPUAYORQGLLHI-HNNXBMFYSA-N 0 3 329.419 3.217 20 10 EGCDHN COc1ccc2c(c1)OCC[C@@H]2NCc1ccc(OC)c(OC)c1O ZINC000893069873 1305689555 /nfs/dbraw/zinc/68/95/55/1305689555.db2.gz SNRYLINJPRXFJE-HNNXBMFYSA-N 0 3 345.395 3.031 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC(Oc3cnccn3)CC2)cc1 ZINC000787291881 1305727566 /nfs/dbraw/zinc/72/75/66/1305727566.db2.gz GNFYMIORUYPPCF-UHFFFAOYSA-N 0 3 340.471 3.366 20 10 EGCDHN COc1cccc([O-])c1C[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000789770355 1306213627 /nfs/dbraw/zinc/21/36/27/1306213627.db2.gz VYLXTGVQIPHMAJ-UHFFFAOYSA-N 0 3 341.455 3.313 20 10 EGCDHN c1cc(CNCc2ccc(N3CCOCC3)cc2)c2c(c1)CCCN2 ZINC000894199660 1306272093 /nfs/dbraw/zinc/27/20/93/1306272093.db2.gz BRNYPARGNXUDHC-UHFFFAOYSA-N 0 3 337.467 3.171 20 10 EGCDHN Clc1ccc(CNCc2ccc3c(c2)CCO3)c(-n2cncn2)c1 ZINC000792951912 1309269574 /nfs/dbraw/zinc/26/95/74/1309269574.db2.gz USAOKNVBOQMFHV-UHFFFAOYSA-N 0 3 340.814 3.145 20 10 EGCDHN COCC[C@@H](Cc1cccc(F)c1)[NH2+]Cc1ccc(OC)cc1[O-] ZINC000793387621 1309361087 /nfs/dbraw/zinc/36/10/87/1309361087.db2.gz IOPYMWBYOPBLEJ-KRWDZBQOSA-N 0 3 333.403 3.277 20 10 EGCDHN COc1ccc(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])c([O-])c1 ZINC000793389124 1309361942 /nfs/dbraw/zinc/36/19/42/1309361942.db2.gz WYPCBDXLLVRQFE-ZDUSSCGKSA-N 0 3 330.384 3.420 20 10 EGCDHN CC[C@H]([NH2+]C1CCN(C[C@H]2CCCO2)CC1)c1ccc(C)cc1[O-] ZINC000794811312 1309600380 /nfs/dbraw/zinc/60/03/80/1309600380.db2.gz WTRRIIFALZVDNS-MJGOQNOKSA-N 0 3 332.488 3.385 20 10 EGCDHN C[C@H]1CN(Cc2cc3c(cc2O)CCCC3)C[C@@]2(CCCOC2)O1 ZINC000794886838 1309614808 /nfs/dbraw/zinc/61/48/08/1309614808.db2.gz BERWRIZZIKDFRM-MGPUTAFESA-N 0 3 331.456 3.041 20 10 EGCDHN CN(C)c1ccc([C@@H](CNCc2nc3ccccc3o2)N(C)C)cc1 ZINC000898449498 1310740573 /nfs/dbraw/zinc/74/05/73/1310740573.db2.gz GTHLTALSQNJUNE-GOSISDBHSA-N 0 3 338.455 3.286 20 10 EGCDHN CCc1nc(CNC[C@H](c2ccc(N(C)C)cc2)N(C)C)cs1 ZINC000898450336 1310742109 /nfs/dbraw/zinc/74/21/09/1310742109.db2.gz AREGYLAZHPOVCV-QGZVFWFLSA-N 0 3 332.517 3.164 20 10 EGCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000800529283 1310778572 /nfs/dbraw/zinc/77/85/72/1310778572.db2.gz HYPALQBLMRDHHX-HNNXBMFYSA-N 0 3 340.192 3.117 20 10 EGCDHN CCN1CC[C@H]([N@@H+](C)Cc2ccc(Br)cc2[O-])C[C@H]1C ZINC000824855920 1320291692 /nfs/dbraw/zinc/29/16/92/1320291692.db2.gz SAIHTHCMAALNQU-DOMZBBRYSA-N 0 3 341.293 3.459 20 10 EGCDHN CC[C@H](C)[C@H](C[NH2+]Cc1cc(Br)cc(OC)c1[O-])OC ZINC000824596053 1320268874 /nfs/dbraw/zinc/26/88/74/1320268874.db2.gz FRYKARYCFSXPCH-HZMBPMFUSA-N 0 3 346.265 3.314 20 10 EGCDHN COc1cc(Br)cc(C[NH2+]CCC[C@H]2CCOC2)c1[O-] ZINC000825134088 1320313595 /nfs/dbraw/zinc/31/35/95/1320313595.db2.gz UTNJJAFYTPROAM-NSHDSACASA-N 0 3 344.249 3.070 20 10 EGCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)cc1Cl ZINC000826538520 1320387129 /nfs/dbraw/zinc/38/71/29/1320387129.db2.gz FGIKMDNERCSWBY-INIZCTEOSA-N 0 3 338.879 3.041 20 10 EGCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H](N3CCOCC3)CC2)cc1Cl ZINC000826538520 1320387133 /nfs/dbraw/zinc/38/71/33/1320387133.db2.gz FGIKMDNERCSWBY-INIZCTEOSA-N 0 3 338.879 3.041 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]C[C@H](O)c2cc(C)cc(C)c2)c1[O-] ZINC000802656694 1317024185 /nfs/dbraw/zinc/02/41/85/1317024185.db2.gz OIXXJOPJBRJTFC-INIZCTEOSA-N 0 3 335.831 3.494 20 10 EGCDHN C[C@@H](c1ccccc1)[C@@H](CO)NCc1cc(F)c(N(C)C)cc1F ZINC000858139420 1328693632 /nfs/dbraw/zinc/69/36/32/1328693632.db2.gz UHCIRDFHTDQFAS-SCLBCKFNSA-N 0 3 334.410 3.285 20 10 EGCDHN CC[S@](=O)[C@H]1CCC[C@@H](NCc2cc(F)c(N(C)C)cc2F)C1 ZINC000858149118 1328696252 /nfs/dbraw/zinc/69/62/52/1328696252.db2.gz YGNZMQQQDLXIOD-XXAQJILISA-N 0 3 344.471 3.200 20 10 EGCDHN C[C@@H](c1ccccc1)[C@H](O)CNCc1cc(F)c(N(C)C)cc1F ZINC000858194988 1328708033 /nfs/dbraw/zinc/70/80/33/1328708033.db2.gz NYWXKZDKDTZZIA-ORAYPTAESA-N 0 3 334.410 3.285 20 10 EGCDHN COc1cccc([O-])c1C[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000808425658 1317675247 /nfs/dbraw/zinc/67/52/47/1317675247.db2.gz GJQYNELCCQDMNU-OAHLLOKOSA-N 0 3 341.329 3.243 20 10 EGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2)c1[O-] ZINC000808675159 1317714089 /nfs/dbraw/zinc/71/40/89/1317714089.db2.gz YBSFBZVTAGHLAA-UKRRQHHQSA-N 0 3 335.831 3.445 20 10 EGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@]2(N(C)C)CCSC2)c1[O-] ZINC000808700486 1317717927 /nfs/dbraw/zinc/71/79/27/1317717927.db2.gz LSVSPVUKLXAVFQ-MLGOLLRUSA-N 0 3 328.909 3.442 20 10 EGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCN2CCOC(C)(C)C2)c1[O-] ZINC000808692201 1317718024 /nfs/dbraw/zinc/71/80/24/1317718024.db2.gz QGNUMHLFTWUDDG-CYBMUJFWSA-N 0 3 326.868 3.115 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCO[C@]3(CCOC3)C2)c1[O-] ZINC000808710803 1317719859 /nfs/dbraw/zinc/71/98/59/1317719859.db2.gz VPUQBZVQDZLBIX-RVSPLBMKSA-N 0 3 325.836 3.343 20 10 EGCDHN CCCN(CCC[NH+](C)C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000809757796 1317894801 /nfs/dbraw/zinc/89/48/01/1317894801.db2.gz XXWMJEUQYMNKPA-UHFFFAOYSA-N 0 3 329.828 3.118 20 10 EGCDHN CCC[C@@]1(CO)CC[N@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000809790196 1317902019 /nfs/dbraw/zinc/90/20/19/1317902019.db2.gz CEMHWTKMAFSEOQ-MRXNPFEDSA-N 0 3 342.277 3.448 20 10 EGCDHN CCC[C@@]1(CO)CC[N@@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000809790196 1317902025 /nfs/dbraw/zinc/90/20/25/1317902025.db2.gz CEMHWTKMAFSEOQ-MRXNPFEDSA-N 0 3 342.277 3.448 20 10 EGCDHN COc1ccc(O)c(CN2Cc3ccc(OC)cc3C3(CC3)C2)c1 ZINC000811518461 1318194842 /nfs/dbraw/zinc/19/48/42/1318194842.db2.gz LGASFSFNMBPGPA-UHFFFAOYSA-N 0 3 325.408 3.457 20 10 EGCDHN OCc1cc(NC2CCN(c3ccc(OC(F)F)cc3)CC2)ccn1 ZINC000858385572 1328750108 /nfs/dbraw/zinc/75/01/08/1328750108.db2.gz DKKVMJWVKSWZEL-UHFFFAOYSA-N 0 3 349.381 3.256 20 10 EGCDHN OCc1cc(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccn1 ZINC000858427764 1328759878 /nfs/dbraw/zinc/75/98/78/1328759878.db2.gz KFDANNLSNLKNMW-AWEZNQCLSA-N 0 3 349.381 3.256 20 10 EGCDHN CC[S@](=O)CC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815579666 1319019728 /nfs/dbraw/zinc/01/97/28/1319019728.db2.gz SCJZWNWUDMIPPT-JPYJTQIMSA-N 0 3 331.481 3.424 20 10 EGCDHN [O-]c1c(C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)ccc2ccccc21 ZINC000816549296 1319180242 /nfs/dbraw/zinc/18/02/42/1319180242.db2.gz JRKGTRZCQNASDJ-IBGZPJMESA-N 0 3 340.467 3.278 20 10 EGCDHN CCCCN(Cc1cncc(C(=O)OC)c1)Cc1ccccc1O ZINC000930350063 1328839315 /nfs/dbraw/zinc/83/93/15/1328839315.db2.gz FHEJHCJKKVPAMF-UHFFFAOYSA-N 0 3 328.412 3.376 20 10 EGCDHN CCCC[N@H+](Cc1cncc(C(=O)OC)c1)Cc1ccccc1[O-] ZINC000930350063 1328839318 /nfs/dbraw/zinc/83/93/18/1328839318.db2.gz FHEJHCJKKVPAMF-UHFFFAOYSA-N 0 3 328.412 3.376 20 10 EGCDHN CCCC[N@@H+](Cc1cncc(C(=O)OC)c1)Cc1ccccc1[O-] ZINC000930350063 1328839319 /nfs/dbraw/zinc/83/93/19/1328839319.db2.gz FHEJHCJKKVPAMF-UHFFFAOYSA-N 0 3 328.412 3.376 20 10 EGCDHN CCOC(=O)c1cc(CNCc2ccc(N(C)C)cc2C)[nH]c1C ZINC000823848584 1320211039 /nfs/dbraw/zinc/21/10/39/1320211039.db2.gz YKKHSVZKVBPDQF-UHFFFAOYSA-N 0 3 329.444 3.164 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)[C@@H](C)O1 ZINC000823854998 1320211777 /nfs/dbraw/zinc/21/17/77/1320211777.db2.gz ASTLBQRHRBGCRG-OMNBBPDLSA-N 0 3 338.879 3.166 20 10 EGCDHN CCN1CC[C@H]([N@H+](C)Cc2ccc(Br)cc2[O-])C[C@H]1C ZINC000824855920 1320291686 /nfs/dbraw/zinc/29/16/86/1320291686.db2.gz SAIHTHCMAALNQU-DOMZBBRYSA-N 0 3 341.293 3.459 20 10 EGCDHN C[C@@H]1CN(Cc2ccc(Br)cc2[O-])CC[N@@H+](C2CC2)C1 ZINC000826023889 1320379423 /nfs/dbraw/zinc/37/94/23/1320379423.db2.gz JNKHYYHBBINLEL-GFCCVEGCSA-N 0 3 339.277 3.071 20 10 EGCDHN C[C@@H]1CN(Cc2ccc(Br)cc2[O-])CC[N@H+](C2CC2)C1 ZINC000826023889 1320379424 /nfs/dbraw/zinc/37/94/24/1320379424.db2.gz JNKHYYHBBINLEL-GFCCVEGCSA-N 0 3 339.277 3.071 20 10 EGCDHN COc1cc(Cl)cc(CNCc2cccnc2N2CCCC2)c1O ZINC000826899247 1320412148 /nfs/dbraw/zinc/41/21/48/1320412148.db2.gz HLXGFHSCFVXTQJ-UHFFFAOYSA-N 0 3 347.846 3.339 20 10 EGCDHN CN(Cc1ccc(N(C)Cc2cccs2)cc1)C[C@@H]1COCCO1 ZINC000827139566 1320429509 /nfs/dbraw/zinc/42/95/09/1320429509.db2.gz CHDBEQXBWICPQI-GOSISDBHSA-N 0 3 346.496 3.232 20 10 EGCDHN CCOC[C@@H]1CCCCN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000839170810 1320884072 /nfs/dbraw/zinc/88/40/72/1320884072.db2.gz TXKDLFCPTNMJTJ-KRWDZBQOSA-N 0 3 336.451 3.053 20 10 EGCDHN CC[C@@H]([NH2+]CC(C)(C)[C@H]1COCC12OCCO2)c1ccc(C)cc1[O-] ZINC000840796536 1321150289 /nfs/dbraw/zinc/15/02/89/1321150289.db2.gz GCGLXHKFWMZQRL-SJLPKXTDSA-N 0 3 349.471 3.157 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+][C@@H](COC(N)=O)Cc2ccccc2)c([O-])c1 ZINC000840866790 1321164948 /nfs/dbraw/zinc/16/49/48/1321164948.db2.gz ZUINJOOQZWFDKT-GDBMZVCRSA-N 0 3 328.412 3.472 20 10 EGCDHN C[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1=O)c1cc(F)ccc1[O-] ZINC000840882406 1321169318 /nfs/dbraw/zinc/16/93/18/1321169318.db2.gz NUIHIWPQEYXTCN-ZBEGNZNMSA-N 0 3 332.350 3.127 20 10 EGCDHN Cc1cc(N(C)C)ccc1CNCc1cc2ccccc2n(C)c1=O ZINC000840950985 1321184895 /nfs/dbraw/zinc/18/48/95/1321184895.db2.gz WIRRERBIQOHTOJ-UHFFFAOYSA-N 0 3 335.451 3.203 20 10 EGCDHN COc1cc(Br)cc(C[NH2+][C@@H](C)COCC2CC2)c1[O-] ZINC000846073670 1321766316 /nfs/dbraw/zinc/76/63/16/1321766316.db2.gz OQHOHYWOFZQQQC-JTQLQIEISA-N 0 3 344.249 3.068 20 10 EGCDHN CCNC(=O)c1cccc(CN[C@@H](C)c2cccc(OC)c2O)c1 ZINC000846141278 1321770890 /nfs/dbraw/zinc/77/08/90/1321770890.db2.gz HLNDWYXAMFVZAC-ZDUSSCGKSA-N 0 3 328.412 3.001 20 10 EGCDHN COc1cccc([C@@H](C)NCc2cnn(CC(F)(F)F)c2)c1O ZINC000846144455 1321771279 /nfs/dbraw/zinc/77/12/79/1321771279.db2.gz DPOGIBMBZDCOCY-SNVBAGLBSA-N 0 3 329.322 3.010 20 10 EGCDHN COc1cccc([C@@H](C)N[C@@H](CC(=O)N(C)C)c2ccccc2)c1O ZINC000846144187 1321771465 /nfs/dbraw/zinc/77/14/65/1321771465.db2.gz LIFHBYHGNYYRKB-PBHICJAKSA-N 0 3 342.439 3.271 20 10 EGCDHN COc1cccc([C@H](C)N[C@H]2CCN(c3ccc(C)cc3)C2=O)c1O ZINC000846153786 1321771853 /nfs/dbraw/zinc/77/18/53/1321771853.db2.gz IIGPSQLFSMNHCY-YOEHRIQHSA-N 0 3 340.423 3.165 20 10 EGCDHN C[NH+](C)C[C@@H](CNC(=O)c1cc([O-])cs1)c1ccc(Cl)cc1 ZINC000846655275 1321799123 /nfs/dbraw/zinc/79/91/23/1321799123.db2.gz GRPLDJXGMFCCFS-GFCCVEGCSA-N 0 3 338.860 3.182 20 10 EGCDHN CN(C)C[C@@H](CNC(=O)C1=CC(=O)CS1)c1ccc(Cl)cc1 ZINC000846655275 1321799127 /nfs/dbraw/zinc/79/91/27/1321799127.db2.gz GRPLDJXGMFCCFS-GFCCVEGCSA-N 0 3 338.860 3.182 20 10 EGCDHN CCc1cccc(CNCc2ccncc2OC[C@H]2CCOC2)c1O ZINC000848911308 1322043578 /nfs/dbraw/zinc/04/35/78/1322043578.db2.gz FSHSOYBUSAJOKP-HNNXBMFYSA-N 0 3 342.439 3.055 20 10 EGCDHN Cc1cnc(OC2CCN(Cc3cc(Cl)cc(C)c3O)CC2)nc1 ZINC000848924825 1322046595 /nfs/dbraw/zinc/04/65/95/1322046595.db2.gz CDXCRRULBKQRKH-UHFFFAOYSA-N 0 3 347.846 3.496 20 10 EGCDHN CCOc1ccc(CN[C@@H](COC)c2cccc(OC)c2)c(O)c1 ZINC000850362206 1322235179 /nfs/dbraw/zinc/23/51/79/1322235179.db2.gz JPBZMVKJNVSEKD-SFHVURJKSA-N 0 3 331.412 3.277 20 10 EGCDHN CCOc1ccc(C[NH2+][C@@H](COC)c2cccc(OC)c2)c([O-])c1 ZINC000850362206 1322235185 /nfs/dbraw/zinc/23/51/85/1322235185.db2.gz JPBZMVKJNVSEKD-SFHVURJKSA-N 0 3 331.412 3.277 20 10 EGCDHN OC1CCN(c2ccc(CNCc3cnc4ccccc4c3)cc2)CC1 ZINC000850406155 1322240449 /nfs/dbraw/zinc/24/04/49/1322240449.db2.gz UUHFRYLEDNCTNE-UHFFFAOYSA-N 0 3 347.462 3.486 20 10 EGCDHN [O-]c1ccccc1C[NH2+]Cc1cccc(COC[C@H]2CCCO2)c1 ZINC000850416167 1322242770 /nfs/dbraw/zinc/24/27/70/1322242770.db2.gz CEVAVCGKWPQJHW-LJQANCHMSA-N 0 3 327.424 3.378 20 10 EGCDHN C[C@H]1CN(Cc2c([O-])cccc2Br)CC[N@@H+](C2CC2)C1 ZINC000862380612 1329480672 /nfs/dbraw/zinc/48/06/72/1329480672.db2.gz KTOVCQUOXXVDQB-LBPRGKRZSA-N 0 3 339.277 3.071 20 10 EGCDHN C[C@H]1CN(Cc2c([O-])cccc2Br)CC[N@H+](C2CC2)C1 ZINC000862380612 1329480674 /nfs/dbraw/zinc/48/06/74/1329480674.db2.gz KTOVCQUOXXVDQB-LBPRGKRZSA-N 0 3 339.277 3.071 20 10 EGCDHN [O-]c1cccc(Br)c1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000862234176 1329468964 /nfs/dbraw/zinc/46/89/64/1329468964.db2.gz GSGLFCQJIVRNQX-CYBMUJFWSA-N 0 3 339.277 3.215 20 10 EGCDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H](C)c1ccccc1O ZINC000868479061 1330284509 /nfs/dbraw/zinc/28/45/09/1330284509.db2.gz QUFKNVWNRFZJOG-HZPDHXFCSA-N 0 3 341.455 3.273 20 10 EGCDHN CCOc1ccc(CN(C)Cc2cccc(OC)c2O)cc1OC ZINC001324711483 1387747161 /nfs/dbraw/zinc/74/71/61/1387747161.db2.gz BXVHRFAJKBCHOD-UHFFFAOYSA-N 0 3 331.412 3.440 20 10 EGCDHN Cc1cccc(NC(=O)NC2CC[NH+](Cc3ccccc3[O-])CC2)c1 ZINC001202320472 1369738109 /nfs/dbraw/zinc/73/81/09/1369738109.db2.gz GPPHNPCVEHJQBS-UHFFFAOYSA-N 0 3 339.439 3.487 20 10 EGCDHN COc1ccc(C[N@H+](C)CCCCNC(=O)OC(C)(C)C)c([O-])c1 ZINC001203634574 1370195432 /nfs/dbraw/zinc/19/54/32/1370195432.db2.gz MIJYSBQNFHZQSW-UHFFFAOYSA-N 0 3 338.448 3.138 20 10 EGCDHN COc1ccc(C[N@@H+](C)CCCCNC(=O)OC(C)(C)C)c([O-])c1 ZINC001203634574 1370195433 /nfs/dbraw/zinc/19/54/33/1370195433.db2.gz MIJYSBQNFHZQSW-UHFFFAOYSA-N 0 3 338.448 3.138 20 10 EGCDHN Cn1c2ccccc2nc1C1CCN(Cc2ccc(O)c(O)c2)CC1 ZINC001203880745 1370298166 /nfs/dbraw/zinc/29/81/66/1370298166.db2.gz YKBBNCHYUSILAD-UHFFFAOYSA-N 0 3 337.423 3.364 20 10 EGCDHN CN(C)c1ccc(CN2CC[C@](O)(C(F)(F)F)C2)c2ccccc21 ZINC001204233760 1370417539 /nfs/dbraw/zinc/41/75/39/1370417539.db2.gz VCHSANCZVKPCMP-QGZVFWFLSA-N 0 3 338.373 3.405 20 10 EGCDHN CN(C)c1ccc(CN2CCN(c3cccnn3)CC2)c2ccccc21 ZINC001204241338 1370419522 /nfs/dbraw/zinc/41/95/22/1370419522.db2.gz FLSWCECIYPFYDW-UHFFFAOYSA-N 0 3 347.466 3.018 20 10 EGCDHN Cc1cnc(O[C@@H]2CCN(Cc3ccc(N4CCCC4)cc3)C2)nc1 ZINC001204329558 1370445432 /nfs/dbraw/zinc/44/54/32/1370445432.db2.gz PUTRMFRCKDQPRP-LJQANCHMSA-N 0 3 338.455 3.039 20 10 EGCDHN OCC1CCN(c2ccc(CNCc3cccn3C3CC3)cc2)CC1 ZINC001326431372 1388187059 /nfs/dbraw/zinc/18/70/59/1388187059.db2.gz VTPRFLQAGABURK-UHFFFAOYSA-N 0 3 339.483 3.322 20 10 EGCDHN COc1cc([O-])c(CN2CC[NH2+]C[C@H]2c2ccccc2)cc1Cl ZINC001210227337 1372299527 /nfs/dbraw/zinc/29/95/27/1372299527.db2.gz NGFWHFOTZUMXJL-INIZCTEOSA-N 0 3 332.831 3.201 20 10 EGCDHN COc1ccccc1[C@@H]1CCCN1Cc1cc(OC)c(O)cc1O ZINC001231635315 1376287199 /nfs/dbraw/zinc/28/71/99/1376287199.db2.gz GNXVPXFCXIPJGT-HNNXBMFYSA-N 0 3 329.396 3.452 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@@H](C)[C@@H]2CO)c1[O-] ZINC001233106801 1376570215 /nfs/dbraw/zinc/57/02/15/1376570215.db2.gz OHEAJWAHZGBWDF-YGRLFVJLSA-N 0 3 328.250 3.056 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CO)c1[O-] ZINC001233106801 1376570220 /nfs/dbraw/zinc/57/02/20/1376570220.db2.gz OHEAJWAHZGBWDF-YGRLFVJLSA-N 0 3 328.250 3.056 20 10 EGCDHN COc1cc(Cl)cc(CN2CC[C@@H](Oc3ncccc3C)C2)c1O ZINC001233291014 1376606056 /nfs/dbraw/zinc/60/60/56/1376606056.db2.gz HOWXDRUUPLXMJS-OAHLLOKOSA-N 0 3 348.830 3.411 20 10 EGCDHN CN(Cc1ccc(C(F)(F)F)cc1)Cc1cc(O)c(O)cc1O ZINC001233486259 1376653221 /nfs/dbraw/zinc/65/32/21/1376653221.db2.gz FOKIDPRZVAMYHD-UHFFFAOYSA-N 0 3 327.302 3.454 20 10 EGCDHN COC(=O)c1ccc(CN(C)Cc2ccc(N(C)C)cc2)cc1OC ZINC001233542505 1376665890 /nfs/dbraw/zinc/66/58/90/1376665890.db2.gz VYPFFMVIHWGWLJ-UHFFFAOYSA-N 0 3 342.439 3.180 20 10 EGCDHN CC(C)c1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)c([O-])c1 ZINC001237052117 1376970715 /nfs/dbraw/zinc/97/07/15/1376970715.db2.gz RROSKHHNKNQZIJ-OALUTQOASA-N 0 3 342.483 3.491 20 10 EGCDHN CC(C)c1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)c([O-])c1 ZINC001237052117 1376970722 /nfs/dbraw/zinc/97/07/22/1376970722.db2.gz RROSKHHNKNQZIJ-OALUTQOASA-N 0 3 342.483 3.491 20 10 EGCDHN COCC1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2[O-])CC1 ZINC001237051415 1376972228 /nfs/dbraw/zinc/97/22/28/1376972228.db2.gz LXJUWOGSWVDAST-UHFFFAOYSA-N 0 3 333.350 3.192 20 10 EGCDHN CC(C)c1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c([O-])c1 ZINC001237053591 1376972749 /nfs/dbraw/zinc/97/27/49/1376972749.db2.gz NXDCWJLNBJKCHD-SFHVURJKSA-N 0 3 330.472 3.350 20 10 EGCDHN CC(C)c1ccc(C[N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c([O-])c1 ZINC001237053591 1376972773 /nfs/dbraw/zinc/97/27/73/1376972773.db2.gz NXDCWJLNBJKCHD-SFHVURJKSA-N 0 3 330.472 3.350 20 10 EGCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@@](C)(O)[C@H](C)C2)cc1Br ZINC001237676470 1376983276 /nfs/dbraw/zinc/98/32/76/1376983276.db2.gz IMOKBLHDPUNFLZ-IAQYHMDHSA-N 0 3 328.250 3.056 20 10 EGCDHN Cc1cc([O-])c(C[N@H+]2CC[C@@](C)(O)[C@H](C)C2)cc1Br ZINC001237676470 1376983279 /nfs/dbraw/zinc/98/32/79/1376983279.db2.gz IMOKBLHDPUNFLZ-IAQYHMDHSA-N 0 3 328.250 3.056 20 10 EGCDHN CN(Cc1c([O-])cccc1F)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001137839080 1377626889 /nfs/dbraw/zinc/62/68/89/1377626889.db2.gz QMADFJCZAQGITO-KRWDZBQOSA-N 0 3 328.431 3.485 20 10 EGCDHN CN(Cc1c([O-])cccc1F)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001137839080 1377626890 /nfs/dbraw/zinc/62/68/90/1377626890.db2.gz QMADFJCZAQGITO-KRWDZBQOSA-N 0 3 328.431 3.485 20 10 EGCDHN Cc1cc(CN2CCC[C@H]2C(=O)N(C)C)c(C)n1-c1ccccc1 ZINC001137859208 1377632537 /nfs/dbraw/zinc/63/25/37/1377632537.db2.gz NTDZVCCXQLAEML-IBGZPJMESA-N 0 3 325.456 3.147 20 10 EGCDHN COCCCN1CCN(Cc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC001137858049 1377632563 /nfs/dbraw/zinc/63/25/63/1377632563.db2.gz UTTGZWWGMZUKBW-UHFFFAOYSA-N 0 3 341.499 3.248 20 10 EGCDHN CCN1CC[C@@]2(CCCN(Cc3c(C)n(C)c4ccccc43)C2)C1=O ZINC001138255387 1377694354 /nfs/dbraw/zinc/69/43/54/1377694354.db2.gz FMTNOIZSGWILPD-OAQYLSRUSA-N 0 3 339.483 3.321 20 10 EGCDHN CN1CCCc2cc(CN3CCN(c4ccc(O)cc4)CC3)ccc21 ZINC001138355008 1377708332 /nfs/dbraw/zinc/70/83/32/1377708332.db2.gz YIFKRMDPDBYBGS-UHFFFAOYSA-N 0 3 337.467 3.097 20 10 EGCDHN Cc1noc(C2CCN(Cc3ccc4c(c3)CCCN4C)CC2)n1 ZINC001138356662 1377708366 /nfs/dbraw/zinc/70/83/66/1377708366.db2.gz VAOAXMVIBAGRRY-UHFFFAOYSA-N 0 3 326.444 3.140 20 10 EGCDHN FC[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@H]1C(F)(F)F ZINC001138495964 1377733573 /nfs/dbraw/zinc/73/35/73/1377733573.db2.gz KUOMHGPJKGHYFQ-GDBMZVCRSA-N 0 3 346.368 3.103 20 10 EGCDHN Cc1cc(CN2CC[C@@](O)(C(F)(F)F)[C@H](C)C2)ccc1N(C)C ZINC001139669780 1377930621 /nfs/dbraw/zinc/93/06/21/1377930621.db2.gz NGZZBPTWSVQSHS-CJNGLKHVSA-N 0 3 330.394 3.196 20 10 EGCDHN CCOC[C@H]1COCCC12CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001140055791 1377996887 /nfs/dbraw/zinc/99/68/87/1377996887.db2.gz VGOGORMUKLHLKM-INIZCTEOSA-N 0 3 337.435 3.187 20 10 EGCDHN [O-]c1cccc(Cl)c1C[NH+]1C[C@H]2CN(Cc3ccccn3)C[C@@H]2C1 ZINC001140339079 1378048930 /nfs/dbraw/zinc/04/89/30/1378048930.db2.gz FAJKKESMYLILHC-HUUCEWRRSA-N 0 3 343.858 3.004 20 10 EGCDHN CC(C)=CCN1CC[C@@]2(CCCN2Cc2cc(F)ccc2O)C1=O ZINC001273284955 1378094680 /nfs/dbraw/zinc/09/46/80/1378094680.db2.gz LNTGPZMVCDFKBG-IBGZPJMESA-N 0 3 332.419 3.064 20 10 EGCDHN O=C1C[C@]2(CN1C1CCCC1)CCCC[N@H+]2Cc1cc(F)ccc1[O-] ZINC001273284100 1378094835 /nfs/dbraw/zinc/09/48/35/1378094835.db2.gz FOBBLTVTAYKNGN-FQEVSTJZSA-N 0 3 346.446 3.431 20 10 EGCDHN O=C1C[C@]2(CN1C1CCCC1)CCCC[N@@H+]2Cc1cc(F)ccc1[O-] ZINC001273284100 1378094838 /nfs/dbraw/zinc/09/48/38/1378094838.db2.gz FOBBLTVTAYKNGN-FQEVSTJZSA-N 0 3 346.446 3.431 20 10 EGCDHN Fc1cc(N2CCOCC2)ccc1CN1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001140660661 1378107982 /nfs/dbraw/zinc/10/79/82/1378107982.db2.gz ZKYSSBGJQIXFTR-CJNGLKHVSA-N 0 3 340.389 3.139 20 10 EGCDHN Cc1ccc(C[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3C2)c([O-])c1 ZINC001140950653 1378190065 /nfs/dbraw/zinc/19/00/65/1378190065.db2.gz AOJIGUDINLMBCI-WBVHZDCISA-N 0 3 346.471 3.389 20 10 EGCDHN Cc1ccc(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3C2)c([O-])c1 ZINC001140950653 1378190069 /nfs/dbraw/zinc/19/00/69/1378190069.db2.gz AOJIGUDINLMBCI-WBVHZDCISA-N 0 3 346.471 3.389 20 10 EGCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](c3ccccn3)C2)c(OC)c1 ZINC001141028163 1378212256 /nfs/dbraw/zinc/21/22/56/1378212256.db2.gz DFKQTWBJDDDKEP-CQSZACIVSA-N 0 3 328.412 3.184 20 10 EGCDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H](c3ccccn3)C2)c(OC)c1 ZINC001141028163 1378212259 /nfs/dbraw/zinc/21/22/59/1378212259.db2.gz DFKQTWBJDDDKEP-CQSZACIVSA-N 0 3 328.412 3.184 20 10 EGCDHN COc1cc([O-])c(C[NH+]2CCC(c3cccnc3)CC2)c(OC)c1 ZINC001141030680 1378212965 /nfs/dbraw/zinc/21/29/65/1378212965.db2.gz GMQMXZJILBOIJI-UHFFFAOYSA-N 0 3 328.412 3.184 20 10 EGCDHN COc1cc(CN(C)Cc2ccc3c(c2)OCCN3C)cc(OC)c1 ZINC001141143221 1378248670 /nfs/dbraw/zinc/24/86/70/1378248670.db2.gz PMFKAJUTXLJPHG-UHFFFAOYSA-N 0 3 342.439 3.164 20 10 EGCDHN CN(CCC(=O)c1cccs1)Cc1ccc2c(c1)OCCN2C ZINC001141144989 1378248945 /nfs/dbraw/zinc/24/89/45/1378248945.db2.gz NLBFPRMAUCRMDZ-UHFFFAOYSA-N 0 3 330.453 3.282 20 10 EGCDHN Oc1cc2c(cc1O)CN(Cc1cccc(-n3ccnc3)c1)CCC2 ZINC001141244149 1378281481 /nfs/dbraw/zinc/28/14/81/1378281481.db2.gz FXGVCNRFLKGGRK-UHFFFAOYSA-N 0 3 335.407 3.232 20 10 EGCDHN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCN2CCc3ccccc3[C@H]2C1 ZINC001142527352 1378453585 /nfs/dbraw/zinc/45/35/85/1378453585.db2.gz SBRNNAIWBUYEJM-GOSISDBHSA-N 0 3 330.378 3.085 20 10 EGCDHN [O-]c1cc(F)c(F)cc1C[N@H+]1CCN2CCc3ccccc3[C@H]2C1 ZINC001142527352 1378453587 /nfs/dbraw/zinc/45/35/87/1378453587.db2.gz SBRNNAIWBUYEJM-GOSISDBHSA-N 0 3 330.378 3.085 20 10 EGCDHN Cc1cncc(N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2[O-])n1 ZINC001160616349 1382153966 /nfs/dbraw/zinc/15/39/66/1382153966.db2.gz HPKYPENULMZJTK-RTBURBONSA-N 0 3 336.395 3.049 20 10 EGCDHN C[C@@H](c1ccco1)N(C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001319691193 1386253877 /nfs/dbraw/zinc/25/38/77/1386253877.db2.gz MAQXCFJFHCTPAQ-HNNXBMFYSA-N 0 3 331.435 3.364 20 10 EGCDHN C[C@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)c1ccsc1 ZINC001321395200 1386893474 /nfs/dbraw/zinc/89/34/74/1386893474.db2.gz BKJIEYKMSXACIN-AWEZNQCLSA-N 0 3 333.476 3.490 20 10 EGCDHN CCN(CC)[C@@H](CNC(=O)NCc1ccc(N)cc1)c1ccsc1 ZINC001337015937 1389236863 /nfs/dbraw/zinc/23/68/63/1389236863.db2.gz MSWRLOSPORUDIK-KRWDZBQOSA-N 0 3 346.500 3.213 20 10 EGCDHN COc1ccc(C[C@@H](C)[N@H+](C)Cc2ccc(OC)c(OC)c2[O-])cc1 ZINC001342829683 1390659515 /nfs/dbraw/zinc/65/95/15/1390659515.db2.gz KZYPXUMTFFOEDU-CQSZACIVSA-N 0 3 345.439 3.481 20 10 EGCDHN COc1ccc(C[C@@H](C)[N@@H+](C)Cc2ccc(OC)c(OC)c2[O-])cc1 ZINC001342829683 1390659517 /nfs/dbraw/zinc/65/95/17/1390659517.db2.gz KZYPXUMTFFOEDU-CQSZACIVSA-N 0 3 345.439 3.481 20 10 EGCDHN Cc1ccc(O)c(CNCc2cccc(OCC(F)(F)F)n2)c1 ZINC001343990474 1390748824 /nfs/dbraw/zinc/74/88/24/1390748824.db2.gz PJBFCVVQEQNCEO-UHFFFAOYSA-N 0 3 326.318 3.327 20 10 EGCDHN COc1cccc(OC)c1OC1CCN(Cc2ccc(N)cc2)CC1 ZINC001345159984 1390842207 /nfs/dbraw/zinc/84/22/07/1390842207.db2.gz PIANOHRROGRRQU-UHFFFAOYSA-N 0 3 342.439 3.329 20 10 EGCDHN C[C@H](NCc1cc(F)c(N(C)C)cc1F)[C@@H](O)Cc1ccccc1 ZINC001351330630 1391627872 /nfs/dbraw/zinc/62/78/72/1391627872.db2.gz LBLANYDQSOHYAP-DJJJIMSYSA-N 0 3 334.410 3.113 20 10 EGCDHN CC[C@H]([NH2+]CCn1ccnc1C)c1cc(Br)ccc1[O-] ZINC000274927755 456267466 /nfs/dbraw/zinc/26/74/66/456267466.db2.gz QELQYJHUTAITHW-AWEZNQCLSA-N 0 3 338.249 3.401 20 10 EGCDHN Cc1ccc([C@H](C[NH2+][C@@H](C)c2ccccc2[O-])N2CCOCC2)o1 ZINC000183392779 455287273 /nfs/dbraw/zinc/28/72/73/455287273.db2.gz PCWIDSWHZCERSC-RDJZCZTQSA-N 0 3 330.428 3.018 20 10 EGCDHN Cc1ccc([O-])c(C[NH+]2CCC(C(=O)N3CCC(C)CC3)CC2)c1 ZINC000092145341 454528102 /nfs/dbraw/zinc/52/81/02/454528102.db2.gz IXEKJSBEBUCLGR-UHFFFAOYSA-N 0 3 330.472 3.171 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](c2cccc(F)c2)N(C)C)c1 ZINC000184834978 455456443 /nfs/dbraw/zinc/45/64/43/455456443.db2.gz OSDZXUGVILEPCU-UGSOOPFHSA-N 0 3 332.419 3.493 20 10 EGCDHN CCCOc1ccc(C[N@@H+]2CCC[C@H](Cc3noc(C)n3)C2)c([O-])c1 ZINC000092814164 454639569 /nfs/dbraw/zinc/63/95/69/454639569.db2.gz LIDXFDZYUBYGST-OAHLLOKOSA-N 0 3 345.443 3.327 20 10 EGCDHN CCCOc1ccc(C[N@H+]2CCC[C@H](Cc3noc(C)n3)C2)c([O-])c1 ZINC000092814164 454639573 /nfs/dbraw/zinc/63/95/73/454639573.db2.gz LIDXFDZYUBYGST-OAHLLOKOSA-N 0 3 345.443 3.327 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC(N3CCCC3=O)CC2)cc1 ZINC000093088430 454679785 /nfs/dbraw/zinc/67/97/85/454679785.db2.gz QDBGAPYDHRZUQS-UHFFFAOYSA-N 0 3 329.488 3.120 20 10 EGCDHN C[C@H](NC[C@@H](O)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000153794151 454833731 /nfs/dbraw/zinc/83/37/31/454833731.db2.gz TUHUGFANEJBYOB-MGPUTAFESA-N 0 3 344.430 3.047 20 10 EGCDHN C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1=O)c1ccccc1[O-] ZINC000179902102 455095852 /nfs/dbraw/zinc/09/58/52/455095852.db2.gz SCIBDKXRGORYKP-CJNGLKHVSA-N 0 3 328.387 3.378 20 10 EGCDHN CC[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1ccccc1[O-] ZINC000156235623 455096230 /nfs/dbraw/zinc/09/62/30/455096230.db2.gz LIQLMZFCNPPAEO-KRWDZBQOSA-N 0 3 333.453 3.178 20 10 EGCDHN CCCNC(=O)C1CCN(Cc2ccc(N(CC)CC)c(F)c2)CC1 ZINC000179919606 455099138 /nfs/dbraw/zinc/09/91/38/455099138.db2.gz ABZCIDBMONWVBD-UHFFFAOYSA-N 0 3 349.494 3.410 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CCC[C@H](CO)C1 ZINC000182929562 455193263 /nfs/dbraw/zinc/19/32/63/455193263.db2.gz BDTCETTXGQCPGJ-KRWDZBQOSA-N 0 3 327.424 3.176 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC[C@H](CO)C1 ZINC000182929562 455193265 /nfs/dbraw/zinc/19/32/65/455193265.db2.gz BDTCETTXGQCPGJ-KRWDZBQOSA-N 0 3 327.424 3.176 20 10 EGCDHN C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)c(F)c1)c1cccnc1 ZINC000158496881 455309021 /nfs/dbraw/zinc/30/90/21/455309021.db2.gz KNKJPCAMSQUWKA-HUUCEWRRSA-N 0 3 329.419 3.469 20 10 EGCDHN COc1cccc(C[NH2+]C[C@](C)(Cc2ccccc2)[C@@H](C)O)c1[O-] ZINC000191712931 455512035 /nfs/dbraw/zinc/51/20/35/455512035.db2.gz LANNVQVLPGEHJL-QRWLVFNGSA-N 0 3 329.440 3.120 20 10 EGCDHN CCNC(=O)c1cccc(CN[C@@H](C)c2cc(OC)ccc2O)c1 ZINC000185177338 455516708 /nfs/dbraw/zinc/51/67/08/455516708.db2.gz QTNUGDYOOVIHNJ-ZDUSSCGKSA-N 0 3 328.412 3.001 20 10 EGCDHN CCN(Cc1ccccc1)C(=O)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000185196077 455519929 /nfs/dbraw/zinc/51/99/29/455519929.db2.gz ZQMKFRIVSVHSJG-CQSZACIVSA-N 0 3 330.403 3.231 20 10 EGCDHN CNS(=O)(=O)c1cccc([C@@H](C)N[C@@H](C)c2cc(C)ccc2O)c1 ZINC000185322510 455540294 /nfs/dbraw/zinc/54/02/94/455540294.db2.gz CRHHVFUKRHDAHF-KGLIPLIRSA-N 0 3 348.468 3.021 20 10 EGCDHN C[C@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1cc(F)ccc1[O-] ZINC000185547638 455576161 /nfs/dbraw/zinc/57/61/61/455576161.db2.gz HJHBAEBSCUEKEX-ZDUSSCGKSA-N 0 3 330.403 3.126 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]CCc2cccc(C(=O)N(C)C)c2)c([O-])c1 ZINC000185547443 455576210 /nfs/dbraw/zinc/57/62/10/455576210.db2.gz JYXJYUYPWBQKSK-OAHLLOKOSA-N 0 3 326.440 3.296 20 10 EGCDHN Cc1ccncc1[C@H](C)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000271350665 455607798 /nfs/dbraw/zinc/60/77/98/455607798.db2.gz HQTUYIIEKJFNLY-HNNXBMFYSA-N 0 3 329.419 3.217 20 10 EGCDHN Cc1ccncc1[C@@H](C)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000271387838 455618514 /nfs/dbraw/zinc/61/85/14/455618514.db2.gz JKSVETFJRWJRMR-QGZVFWFLSA-N 0 3 339.483 3.450 20 10 EGCDHN COc1cc(OC)cc([C@@H](O)C[NH2+][C@H](C)c2c(C)cc(C)cc2[O-])c1 ZINC000284162620 455644673 /nfs/dbraw/zinc/64/46/73/455644673.db2.gz PXBJEAAVLQVGFM-KUHUBIRLSA-N 0 3 345.439 3.410 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCOc2cccc(NC(C)=O)c2)c1 ZINC000185966555 455664788 /nfs/dbraw/zinc/66/47/88/455664788.db2.gz BZYRXOVEXOLODF-CYBMUJFWSA-N 0 3 344.411 3.089 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3F)C2=O)c([O-])c1 ZINC000186022768 455677769 /nfs/dbraw/zinc/67/77/69/455677769.db2.gz VMBBLBCDEJLPCV-CJNGLKHVSA-N 0 3 328.387 3.296 20 10 EGCDHN C[C@H]([NH2+]CCc1nc2cc(F)ccc2n1C)c1cc(F)ccc1[O-] ZINC000186061382 455686480 /nfs/dbraw/zinc/68/64/80/455686480.db2.gz SXIYXGBRUQPQDD-NSHDSACASA-N 0 3 331.366 3.450 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H](C)c2ccc(NC(N)=O)cc2)c1 ZINC000192849431 455705989 /nfs/dbraw/zinc/70/59/89/455705989.db2.gz NZGGZFAJHHEQGC-VXGBXAGGSA-N 0 3 329.400 3.303 20 10 EGCDHN COc1cc(C[NH2+][C@H](C)c2c(C)cc(C)cc2[O-])ccc1OCCO ZINC000293683242 455795227 /nfs/dbraw/zinc/79/52/27/455795227.db2.gz KMAIDKMYACNPOX-OAHLLOKOSA-N 0 3 345.439 3.240 20 10 EGCDHN CN(C)c1ccc(CN2CCC(O)(Cc3cccc(F)c3)CC2)cc1 ZINC000186590994 455800850 /nfs/dbraw/zinc/80/08/50/455800850.db2.gz HROBDEIXAYPOGZ-UHFFFAOYSA-N 0 3 342.458 3.461 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]CCOCC(F)(F)C(F)F)c1[O-] ZINC000278292888 455808318 /nfs/dbraw/zinc/80/83/18/455808318.db2.gz CUTZHVKFUBAACE-UHFFFAOYSA-N 0 3 345.720 3.061 20 10 EGCDHN COc1c([O-])c(CNc2ccc(CC[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000278571881 455839816 /nfs/dbraw/zinc/83/98/16/455839816.db2.gz CXDONAPLLJMLOD-UHFFFAOYSA-N 0 3 345.399 3.025 20 10 EGCDHN CC[C@@H](NCc1ccc(NC(C)=O)nc1)c1ccc(N(C)C)cc1 ZINC000279079856 455857413 /nfs/dbraw/zinc/85/74/13/455857413.db2.gz MLDZSGAQPDVVQB-GOSISDBHSA-N 0 3 326.444 3.347 20 10 EGCDHN CC[C@H]([NH2+]Cc1cc(F)ccc1[O-])[C@H](O)c1c(F)cccc1F ZINC000272251346 455892794 /nfs/dbraw/zinc/89/27/94/455892794.db2.gz CBKZQWLQXWICKH-YOEHRIQHSA-N 0 3 325.330 3.411 20 10 EGCDHN CC[C@@H]([NH2+]Cc1cc(F)ccc1[O-])[C@H](O)c1c(F)cccc1F ZINC000272251334 455892816 /nfs/dbraw/zinc/89/28/16/455892816.db2.gz CBKZQWLQXWICKH-PBHICJAKSA-N 0 3 325.330 3.411 20 10 EGCDHN CC[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1ccc(C)cc1[O-] ZINC000280132164 455898855 /nfs/dbraw/zinc/89/88/55/455898855.db2.gz OZZRLAPUAKLKCT-SFHVURJKSA-N 0 3 347.480 3.486 20 10 EGCDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(OC)c2[O-])[C@@H]1Oc1ccccc1 ZINC000187638309 455932577 /nfs/dbraw/zinc/93/25/77/455932577.db2.gz SLCKYBXWOYZTLI-POAQFYNOSA-N 0 3 343.423 3.115 20 10 EGCDHN COc1cc([O-])c(C[NH2+][C@@H](C)[C@H](OC)c2ccccc2F)cc1OC ZINC000272453278 455955439 /nfs/dbraw/zinc/95/54/39/455955439.db2.gz WNCMCMNLIHDTCG-BUXKBTBVSA-N 0 3 349.402 3.414 20 10 EGCDHN O=C1C[C@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)CN1Cc1ccccc1 ZINC000296736108 456023716 /nfs/dbraw/zinc/02/37/16/456023716.db2.gz JCORPTOSEUAPDX-SJLPKXTDSA-N 0 3 336.435 3.018 20 10 EGCDHN CC(=O)N1CCC[C@H](C[NH2+][C@@H](C)c2cc3c(cc2[O-])CCCC3)C1 ZINC000280890559 456073338 /nfs/dbraw/zinc/07/33/38/456073338.db2.gz FBKCLMZPCWHGIV-GOEBONIOSA-N 0 3 330.472 3.180 20 10 EGCDHN CCN(Cc1ccc(N(C)Cc2cccs2)cc1)[C@@H]1CCNC1=O ZINC000297039194 456099869 /nfs/dbraw/zinc/09/98/69/456099869.db2.gz XVHOZFWSQOHUNM-GOSISDBHSA-N 0 3 343.496 3.095 20 10 EGCDHN COCCCOc1ccc(CNCc2cc(OC)ccc2O)cc1 ZINC000289641815 456133825 /nfs/dbraw/zinc/13/38/25/456133825.db2.gz XNNCIXNNZVESEP-UHFFFAOYSA-N 0 3 331.412 3.106 20 10 EGCDHN COCCCOc1ccc(C[NH2+]Cc2cc(OC)ccc2[O-])cc1 ZINC000289641815 456133831 /nfs/dbraw/zinc/13/38/31/456133831.db2.gz XNNCIXNNZVESEP-UHFFFAOYSA-N 0 3 331.412 3.106 20 10 EGCDHN CCCN(Cc1ccccc1O)C(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000236733034 456176532 /nfs/dbraw/zinc/17/65/32/456176532.db2.gz ZJLTXCRDTDHIPL-BEFAXECRSA-N 0 3 326.440 3.467 20 10 EGCDHN CCOCc1cc(CN[C@H](CO)Cc2ccc(F)cc2)ccc1OC ZINC000271244582 456190262 /nfs/dbraw/zinc/19/02/62/456190262.db2.gz VINCPNWGUCEQOI-IBGZPJMESA-N 0 3 347.430 3.064 20 10 EGCDHN C[C@H]([NH2+]CC1=CCN(C)CC1)c1ccc(Br)cc1[O-] ZINC000273344623 456223868 /nfs/dbraw/zinc/22/38/68/456223868.db2.gz AGJKPGSEHRQLLZ-NSHDSACASA-N 0 3 325.250 3.067 20 10 EGCDHN C[C@H]([NH2+]CC1=CCN(C)CC1)c1cc(Br)ccc1[O-] ZINC000273359600 456225165 /nfs/dbraw/zinc/22/51/65/456225165.db2.gz DLHUSMFSQFSMAM-NSHDSACASA-N 0 3 325.250 3.067 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)c([O-])c1C ZINC000273407688 456228785 /nfs/dbraw/zinc/22/87/85/456228785.db2.gz OYRQROFLCVTGOE-OAHLLOKOSA-N 0 3 347.480 3.404 20 10 EGCDHN COc1ccc2c(c1)OC[C@H]([NH2+][C@H](C)c1cc(OC)ccc1[O-])C2 ZINC000273477753 456233790 /nfs/dbraw/zinc/23/37/90/456233790.db2.gz LCRXLNRGDXXNBJ-TZMCWYRMSA-N 0 3 329.396 3.064 20 10 EGCDHN COc1cc(OC)cc([C@H](O)C[NH2+][C@H](C)c2ccc(C)c(C)c2[O-])c1 ZINC000273552522 456237256 /nfs/dbraw/zinc/23/72/56/456237256.db2.gz GDVPYBWJCSMLRL-AUUYWEPGSA-N 0 3 345.439 3.410 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)[C@H](O)c2cccc(F)c2)c1[O-] ZINC000273736240 456243880 /nfs/dbraw/zinc/24/38/80/456243880.db2.gz LDXHOBDOCMUEHS-QFYYESIMSA-N 0 3 339.794 3.405 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]C[C@H](O)CCc2ccccc2)c1[O-] ZINC000273807460 456245291 /nfs/dbraw/zinc/24/52/91/456245291.db2.gz YGHGICGETOYCSW-MRXNPFEDSA-N 0 3 335.831 3.138 20 10 EGCDHN Cc1cc([O-])c(C[NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)cc1C ZINC000283034344 456694769 /nfs/dbraw/zinc/69/47/69/456694769.db2.gz QRQGLSQOFPKAEB-GOSISDBHSA-N 0 3 339.439 3.405 20 10 EGCDHN CCCCN(Cc1ccccc1O)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000283536031 456799090 /nfs/dbraw/zinc/79/90/90/456799090.db2.gz GSNSBQJINVRVFH-WBVHZDCISA-N 0 3 345.487 3.329 20 10 EGCDHN Cc1c2ccccc2n(C)c1CNCc1ccc(-n2cncn2)cc1 ZINC000355132560 457344073 /nfs/dbraw/zinc/34/40/73/457344073.db2.gz MNUYANHVOLLCAP-UHFFFAOYSA-N 0 3 331.423 3.357 20 10 EGCDHN COc1ccc([O-])c(C[N@@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)c1 ZINC000378436698 457395264 /nfs/dbraw/zinc/39/52/64/457395264.db2.gz CWUWPDFZORJPJJ-AZUAARDMSA-N 0 3 327.424 3.489 20 10 EGCDHN COc1ccc([O-])c(C[N@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)c1 ZINC000378436698 457395269 /nfs/dbraw/zinc/39/52/69/457395269.db2.gz CWUWPDFZORJPJJ-AZUAARDMSA-N 0 3 327.424 3.489 20 10 EGCDHN CC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000378497461 457405041 /nfs/dbraw/zinc/40/50/41/457405041.db2.gz PYZWYCRVSORLGN-IBGZPJMESA-N 0 3 330.472 3.395 20 10 EGCDHN COc1ccc([O-])c(C[NH2+]Cc2ccc(C)cc2-c2cnn(C)c2)c1 ZINC000374724020 457694366 /nfs/dbraw/zinc/69/43/66/457694366.db2.gz SCIYOYWRXOGMGI-UHFFFAOYSA-N 0 3 337.423 3.400 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](Cc2ccc(F)cc2)OC)c1 ZINC000528435727 459806317 /nfs/dbraw/zinc/80/63/17/459806317.db2.gz DGGCMPPXRDHJCX-CXAGYDPISA-N 0 3 333.403 3.448 20 10 EGCDHN COc1ccc([C@H](NCc2cc(OC)c(OC)cc2O)C2CC2)cn1 ZINC000529688833 459835560 /nfs/dbraw/zinc/83/55/60/459835560.db2.gz LKUNYUASGYHFGT-LJQANCHMSA-N 0 3 344.411 3.054 20 10 EGCDHN CN(C)CCOc1ccc(N(C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000732410604 575268060 /nfs/dbraw/zinc/26/80/60/575268060.db2.gz FDBWIDQQSZACKZ-UHFFFAOYSA-N 0 3 329.400 3.172 20 10 EGCDHN Cc1ncc(/C=C/C(=O)N(C)c2ccc(OCCN(C)C)cc2)s1 ZINC000732741034 575285825 /nfs/dbraw/zinc/28/58/25/575285825.db2.gz HBUQKHFBVZTYAR-MDZDMXLPSA-N 0 3 345.468 3.068 20 10 EGCDHN CCCCN(C)CCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000732892122 575294957 /nfs/dbraw/zinc/29/49/57/575294957.db2.gz RXDGASYIQKRNNK-UHFFFAOYSA-N 0 3 346.519 3.159 20 10 EGCDHN Cc1ccc([O-])c(C[NH2+][C@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000741257815 576669386 /nfs/dbraw/zinc/66/93/86/576669386.db2.gz ZJPONUNUKLBDSF-UTKZUKDTSA-N 0 3 340.467 3.080 20 10 EGCDHN CCN(CC)c1ccc(CNC(=O)CN2[C@H](C)CC[C@H]2C)cc1F ZINC000742253426 576762777 /nfs/dbraw/zinc/76/27/77/576762777.db2.gz PSWXPSYIZNNPOY-HUUCEWRRSA-N 0 3 335.467 3.161 20 10 EGCDHN Cc1cccc(CC[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)n1 ZINC000828062167 1292425160 /nfs/dbraw/zinc/42/51/60/1292425160.db2.gz COUSZEIACVWVRW-LJQANCHMSA-N 0 3 326.440 3.319 20 10 EGCDHN Cc1cccc(CC[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)n1 ZINC000828062167 1292425166 /nfs/dbraw/zinc/42/51/66/1292425166.db2.gz COUSZEIACVWVRW-LJQANCHMSA-N 0 3 326.440 3.319 20 10 EGCDHN COC1CCN(C2(C[NH2+][C@@H]3CCc4cccc([O-])c43)CCCC2)CC1 ZINC000834576577 1293118861 /nfs/dbraw/zinc/11/88/61/1293118861.db2.gz ZKXFSUFZIMHKRN-GOSISDBHSA-N 0 3 344.499 3.393 20 10 EGCDHN O=C1[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCN1c1ccc(Cl)cc1 ZINC000834662659 1293129625 /nfs/dbraw/zinc/12/96/25/1293129625.db2.gz BHGIIMGMYCOZAP-HZPDHXFCSA-N 0 3 342.826 3.428 20 10 EGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1)CC2 ZINC000834783034 1293147346 /nfs/dbraw/zinc/14/73/46/1293147346.db2.gz ARAVJGFQTQVZLG-SQGPQFPESA-N 0 3 327.399 3.274 20 10 EGCDHN O=C(/C=C/c1ccccc1)NCCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834793494 1293149810 /nfs/dbraw/zinc/14/98/10/1293149810.db2.gz AGERUBVGXQFSKA-LVMGUKCRSA-N 0 3 336.435 3.189 20 10 EGCDHN C[C@H]([NH2+][C@@H]1C[C@@H](OC(C)(C)C)[C@H]1n1cccn1)c1ccccc1[O-] ZINC000834903099 1293170476 /nfs/dbraw/zinc/17/04/76/1293170476.db2.gz IVXRARPZGISBPU-NZPGVSJUSA-N 0 3 329.444 3.437 20 10 EGCDHN CC(C)(C)OC(=O)CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000121048417 1293353440 /nfs/dbraw/zinc/35/34/40/1293353440.db2.gz GBIZXCSDRLIBSZ-MRXNPFEDSA-N 0 3 335.444 3.105 20 10 EGCDHN CC(C)(C)OC(=O)CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000121048417 1293353447 /nfs/dbraw/zinc/35/34/47/1293353447.db2.gz GBIZXCSDRLIBSZ-MRXNPFEDSA-N 0 3 335.444 3.105 20 10 EGCDHN COc1ccc2ccc([O-])c(C[N@H+](C)CCCn3ccnc3)c2c1 ZINC000130587057 1293662243 /nfs/dbraw/zinc/66/22/43/1293662243.db2.gz PAORNSWHBGSKOM-UHFFFAOYSA-N 0 3 325.412 3.273 20 10 EGCDHN COc1ccc2ccc([O-])c(C[N@@H+](C)CCCn3ccnc3)c2c1 ZINC000130587057 1293662247 /nfs/dbraw/zinc/66/22/47/1293662247.db2.gz PAORNSWHBGSKOM-UHFFFAOYSA-N 0 3 325.412 3.273 20 10 EGCDHN CCn1cc([C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cn1 ZINC000155326215 1294092114 /nfs/dbraw/zinc/09/21/14/1294092114.db2.gz WCQGDKNZQNRBGS-JKSUJKDBSA-N 0 3 328.460 3.151 20 10 EGCDHN CCN(C)c1ccc([C@@H](C)N[C@@H](C)C(=O)NCc2ccccc2)cc1 ZINC000161186142 1294286836 /nfs/dbraw/zinc/28/68/36/1294286836.db2.gz TXDVDVQDDBFATI-SJORKVTESA-N 0 3 339.483 3.498 20 10 EGCDHN C[C@@H](NCC(=O)N1CCCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000177982233 1294707986 /nfs/dbraw/zinc/70/79/86/1294707986.db2.gz KZPMIEFPHRJNLO-MRXNPFEDSA-N 0 3 337.467 3.383 20 10 EGCDHN COc1cc(N[C@H]2CCC[N@H+](Cc3ccccc3[O-])C2)cc(OC)c1 ZINC000179581938 1294806918 /nfs/dbraw/zinc/80/69/18/1294806918.db2.gz GFQLHQPGJUMQHM-INIZCTEOSA-N 0 3 342.439 3.486 20 10 EGCDHN COc1cc(N[C@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)cc(OC)c1 ZINC000179581938 1294806929 /nfs/dbraw/zinc/80/69/29/1294806929.db2.gz GFQLHQPGJUMQHM-INIZCTEOSA-N 0 3 342.439 3.486 20 10 EGCDHN CCN(C)c1ccc([C@H](C)NCC(=O)NCCc2ccccc2)cc1 ZINC000181407942 1294965855 /nfs/dbraw/zinc/96/58/55/1294965855.db2.gz PLSITYIUDSCUMY-KRWDZBQOSA-N 0 3 339.483 3.152 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCC(=O)N(c2ccccc2)C(C)C)c1 ZINC000182337845 1295037257 /nfs/dbraw/zinc/03/72/57/1295037257.db2.gz IFLAEMIAUJKTMV-HNNXBMFYSA-N 0 3 342.439 3.493 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCC(=O)NC2CCCCCCC2)c1 ZINC000182441928 1295046850 /nfs/dbraw/zinc/04/68/50/1295046850.db2.gz PKGNCAINAMLLHU-AWEZNQCLSA-N 0 3 334.460 3.281 20 10 EGCDHN C[C@@H]([NH2+]CC1(CN2CCOCC2)CCCCC1)c1ccccc1[O-] ZINC000183547269 1295130446 /nfs/dbraw/zinc/13/04/46/1295130446.db2.gz NCNSLADYDUABSA-QGZVFWFLSA-N 0 3 332.488 3.326 20 10 EGCDHN CCN1CCN(c2cccc(NC(=O)c3cc(F)cc(F)c3)c2)CC1 ZINC000184268718 1295184541 /nfs/dbraw/zinc/18/45/41/1295184541.db2.gz LEYBAXITICAXMY-UHFFFAOYSA-N 0 3 345.393 3.359 20 10 EGCDHN CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000310563721 1297097055 /nfs/dbraw/zinc/09/70/55/1297097055.db2.gz KUUTXMUGUJJARP-HUUCEWRRSA-N 0 3 332.444 3.369 20 10 EGCDHN COc1ccc(CNCc2ccc(OC)c(Cn3cccn3)c2)cc1 ZINC000873006611 1297219469 /nfs/dbraw/zinc/21/94/69/1297219469.db2.gz MRHDHFAIQPQKFB-UHFFFAOYSA-N 0 3 337.423 3.238 20 10 EGCDHN CCOCc1cc(CNCc2ccc3oc(=O)[nH]c3c2)ccc1OC ZINC000873173094 1297323532 /nfs/dbraw/zinc/32/35/32/1297323532.db2.gz MLEJZSMTLQMQHY-UHFFFAOYSA-N 0 3 342.395 3.368 20 10 EGCDHN CC(C)N1CC[C@H](C[NH2+]Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715830094 1298289409 /nfs/dbraw/zinc/28/94/09/1298289409.db2.gz WTDDRPGRXFZAOV-LLVKDONJSA-N 0 3 345.256 3.114 20 10 EGCDHN Cc1cc(O)c(CN2CCCN(C(=O)OCC(C)C)CC2)cc1C ZINC000725775727 1298357483 /nfs/dbraw/zinc/35/74/83/1298357483.db2.gz QJSNXYUGHTYTIV-UHFFFAOYSA-N 0 3 334.460 3.309 20 10 EGCDHN CN(C)c1ccc(CN(C)C(=O)CNC(C)(C)c2ccccc2)cc1 ZINC000747528992 1298795649 /nfs/dbraw/zinc/79/56/49/1298795649.db2.gz DRDWWCYCYRWZPU-UHFFFAOYSA-N 0 3 339.483 3.236 20 10 EGCDHN Cc1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c([O-])c1 ZINC000876551413 1298821308 /nfs/dbraw/zinc/82/13/08/1298821308.db2.gz QUYXQIOXIAVGBU-UHFFFAOYSA-N 0 3 326.440 3.169 20 10 EGCDHN Cc1ccc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c([O-])c1 ZINC000876551413 1298821321 /nfs/dbraw/zinc/82/13/21/1298821321.db2.gz QUYXQIOXIAVGBU-UHFFFAOYSA-N 0 3 326.440 3.169 20 10 EGCDHN Cc1cccc([O-])c1C[NH+]1CCC(CC(=O)NC2CCCC2)CC1 ZINC000876640104 1298890144 /nfs/dbraw/zinc/89/01/44/1298890144.db2.gz YXCCPFHKGVRDET-UHFFFAOYSA-N 0 3 330.472 3.362 20 10 EGCDHN Cc1ccc(CNc2cccc(CN3CCN(C)CC3)c2)c(O)c1 ZINC000876823420 1299016044 /nfs/dbraw/zinc/01/60/44/1299016044.db2.gz JNPHEJFSZUCOGB-UHFFFAOYSA-N 0 3 325.456 3.060 20 10 EGCDHN Cc1cccc([O-])c1C[NH2+]C[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000876895128 1299054645 /nfs/dbraw/zinc/05/46/45/1299054645.db2.gz YVZLXBMGVQANTN-LJQANCHMSA-N 0 3 344.430 3.003 20 10 EGCDHN CO[C@](C)(C[NH2+]Cc1c(C)cccc1[O-])COCc1ccccc1 ZINC000877624180 1299439298 /nfs/dbraw/zinc/43/92/98/1299439298.db2.gz MDTHYPMOJRLRSW-HXUWFJFHSA-N 0 3 329.440 3.412 20 10 EGCDHN C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@H](C)c1ccccc1[O-] ZINC000877755539 1299530859 /nfs/dbraw/zinc/53/08/59/1299530859.db2.gz DLYNHSIOXZNZDS-ZIAGYGMSSA-N 0 3 338.407 3.118 20 10 EGCDHN C[C@H]1C[C@@H]([NH2+]CC2(C(=O)N(C)C)CCCC2)c2c1c(F)ccc2[O-] ZINC000756575897 1300525891 /nfs/dbraw/zinc/52/58/91/1300525891.db2.gz RDJCGJFWIYZUQV-GXTWGEPZSA-N 0 3 334.435 3.318 20 10 EGCDHN COc1ccc(O)c([C@H](C)NC2(c3ccc4c(c3)OCO4)CC2)c1 ZINC000756850790 1300576524 /nfs/dbraw/zinc/57/65/24/1300576524.db2.gz OGTFZGXSWINQFT-LBPRGKRZSA-N 0 3 327.380 3.469 20 10 EGCDHN C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1Cl)c1ccccc1[O-] ZINC000879650059 1300650239 /nfs/dbraw/zinc/65/02/39/1300650239.db2.gz ZHINOEHSSVJRQP-OLZOCXBDSA-N 0 3 332.831 3.401 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]CCCC(=O)OC(C)(C)C)c1[O-] ZINC000761205421 1301420666 /nfs/dbraw/zinc/42/06/66/1301420666.db2.gz DBWMCLKWXXGJAQ-UHFFFAOYSA-N 0 3 329.824 3.266 20 10 EGCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1CSCCN1Cc1ccccc1 ZINC000763392765 1301893183 /nfs/dbraw/zinc/89/31/83/1301893183.db2.gz RWJHFYPMABOBSW-SFHVURJKSA-N 0 3 346.471 3.239 20 10 EGCDHN CN1CCN(c2ccc(CNc3nccc4c(N)cccc43)cc2)CC1 ZINC000882879688 1302144397 /nfs/dbraw/zinc/14/43/97/1302144397.db2.gz HVQGSHIZHHCPLG-UHFFFAOYSA-N 0 3 347.466 3.181 20 10 EGCDHN C[C@H](Cn1ccnc1)N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000764889233 1302158966 /nfs/dbraw/zinc/15/89/66/1302158966.db2.gz KNAZBIOYJHXAMN-CABCVRRESA-N 0 3 348.878 3.112 20 10 EGCDHN CC[C@@H]([NH2+]Cc1ccc(N2CCNC2=O)cc1)c1ccc(C)cc1[O-] ZINC000883287587 1302366085 /nfs/dbraw/zinc/36/60/85/1302366085.db2.gz ZBCGBOGLKSWCHW-GOSISDBHSA-N 0 3 339.439 3.471 20 10 EGCDHN CCOc1ccc(CN[C@H]2CCOc3ccc(OC)cc32)c(O)c1 ZINC000767190149 1302601675 /nfs/dbraw/zinc/60/16/75/1302601675.db2.gz SGUUGHYRNXUOIE-KRWDZBQOSA-N 0 3 329.396 3.413 20 10 EGCDHN CCOc1ccc(C[NH2+][C@H]2CCOc3ccc(OC)cc32)c([O-])c1 ZINC000767190149 1302601682 /nfs/dbraw/zinc/60/16/82/1302601682.db2.gz SGUUGHYRNXUOIE-KRWDZBQOSA-N 0 3 329.396 3.413 20 10 EGCDHN CCCN(Cc1ccccc1F)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768440655 1302905116 /nfs/dbraw/zinc/90/51/16/1302905116.db2.gz UBYWEKTUHFIRDL-SFHVURJKSA-N 0 3 331.387 3.369 20 10 EGCDHN CCC[N@@H+](Cc1ccccc1F)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768440655 1302905122 /nfs/dbraw/zinc/90/51/22/1302905122.db2.gz UBYWEKTUHFIRDL-SFHVURJKSA-N 0 3 331.387 3.369 20 10 EGCDHN CCC[N@H+](Cc1ccccc1F)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768440655 1302905130 /nfs/dbraw/zinc/90/51/30/1302905130.db2.gz UBYWEKTUHFIRDL-SFHVURJKSA-N 0 3 331.387 3.369 20 10 EGCDHN [O-]c1cc2c(cc1C[NH+]1CCC(c3ccc(F)cc3)CC1)[C@@H](O)CO2 ZINC000768463468 1302911036 /nfs/dbraw/zinc/91/10/36/1302911036.db2.gz JOJGTINXPDOHCB-IBGZPJMESA-N 0 3 343.398 3.337 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000769382925 1303102658 /nfs/dbraw/zinc/10/26/58/1303102658.db2.gz YUTGSZKAWOLPSQ-JKSUJKDBSA-N 0 3 330.394 3.420 20 10 EGCDHN CC(C)N1C[C@@H](N[C@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1=O ZINC000773008692 1303606314 /nfs/dbraw/zinc/60/63/14/1303606314.db2.gz XLYKEMKXLYGQLU-WBVHZDCISA-N 0 3 347.478 3.476 20 10 EGCDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)NC1CCC(C)CC1 ZINC000774486772 1303816296 /nfs/dbraw/zinc/81/62/96/1303816296.db2.gz XQUQDBAAOQACJB-LPMVOBIJSA-N 0 3 331.504 3.487 20 10 EGCDHN COc1ccc(O)c([C@@H](C)N[C@@H](C)C(=O)Nc2ccccc2OC)c1 ZINC000775376023 1303948655 /nfs/dbraw/zinc/94/86/55/1303948655.db2.gz RCWGWXYXPKWNEV-OLZOCXBDSA-N 0 3 344.411 3.087 20 10 EGCDHN CC[C@@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)c1ccccc1[O-] ZINC000775489116 1303971994 /nfs/dbraw/zinc/97/19/94/1303971994.db2.gz NAJDOEFLFCIQKG-QGZVFWFLSA-N 0 3 333.453 3.048 20 10 EGCDHN CC[NH+](CC)CCO[C@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775725750 1304022118 /nfs/dbraw/zinc/02/21/18/1304022118.db2.gz MSWFRRIPIWILFF-HNNXBMFYSA-N 0 3 344.858 3.117 20 10 EGCDHN C[C@@H](N[C@@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000775830663 1304045339 /nfs/dbraw/zinc/04/53/39/1304045339.db2.gz MHTZYYVMQBIPML-TWMKSMIVSA-N 0 3 331.504 3.296 20 10 EGCDHN Cc1cccc(CNC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775833005 1304047115 /nfs/dbraw/zinc/04/71/15/1304047115.db2.gz FDYUDIXGPLDMCM-INIZCTEOSA-N 0 3 325.456 3.028 20 10 EGCDHN CC(C)(C)OC(=O)NCC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000778995510 1304516395 /nfs/dbraw/zinc/51/63/95/1304516395.db2.gz AXDXQUJNOYTADV-UHFFFAOYSA-N 0 3 338.423 3.268 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H](O)c2ccco2)c1[O-] ZINC000779004318 1304517062 /nfs/dbraw/zinc/51/70/62/1304517062.db2.gz UQZLUOZQYBYOHY-GWCFXTLKSA-N 0 3 340.217 3.440 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCc2ccn(C)n2)c1[O-] ZINC000779048670 1304522710 /nfs/dbraw/zinc/52/27/10/1304522710.db2.gz AYJMAPBQBDCHIT-NSHDSACASA-N 0 3 338.249 3.090 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2C[C@@H](O)C2(C)C)c1[O-] ZINC000779063233 1304525186 /nfs/dbraw/zinc/52/51/86/1304525186.db2.gz CWJKRJDDIAFHGN-ZWKOPEQDSA-N 0 3 328.250 3.273 20 10 EGCDHN CCCNC(=O)C1(NCc2ccc(N(C)C)c(F)c2)CCCCC1 ZINC000779167900 1304538228 /nfs/dbraw/zinc/53/82/28/1304538228.db2.gz AOZUKFJDJQCTGI-UHFFFAOYSA-N 0 3 335.467 3.210 20 10 EGCDHN C[C@@H](CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccco1 ZINC000891248234 1304998952 /nfs/dbraw/zinc/99/89/52/1304998952.db2.gz XAEAXXSGYZKSMF-MAUKXSAKSA-N 0 3 343.471 3.258 20 10 EGCDHN COc1cc(CN2CCC[C@H](Oc3ncccc3F)C2)c(O)cc1C ZINC000782844636 1305015657 /nfs/dbraw/zinc/01/56/57/1305015657.db2.gz ZJOLCNKOIKSUJR-HNNXBMFYSA-N 0 3 346.402 3.287 20 10 EGCDHN Cc1cc(C)nc(N2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)n1 ZINC000782940954 1305025742 /nfs/dbraw/zinc/02/57/42/1305025742.db2.gz OZSCGWLBCZENCD-UHFFFAOYSA-N 0 3 348.450 3.274 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+]CC2(N(C)C)CCC2)c1[O-] ZINC000783728847 1305134683 /nfs/dbraw/zinc/13/46/83/1305134683.db2.gz KCHLDVNAAGFIPL-UHFFFAOYSA-N 0 3 327.266 3.037 20 10 EGCDHN Fc1cc(CN2CCC([C@@H]3CCCO3)CC2)ccc1N1CCOCC1 ZINC000784664654 1305269338 /nfs/dbraw/zinc/26/93/38/1305269338.db2.gz OJQISSKIIPFYOC-FQEVSTJZSA-N 0 3 348.462 3.053 20 10 EGCDHN COc1ccc(CN2CCCC[C@H]2c2cccn2C)c(O)c1OC ZINC000892194093 1305277565 /nfs/dbraw/zinc/27/75/65/1305277565.db2.gz RZSBMGWAIJZSFD-INIZCTEOSA-N 0 3 330.428 3.475 20 10 EGCDHN COc1cc(C)cc(CNCc2cnn(Cc3ccccc3)c2)c1O ZINC000894174535 1306261093 /nfs/dbraw/zinc/26/10/93/1306261093.db2.gz UVNWBHVTFKGMPQ-UHFFFAOYSA-N 0 3 337.423 3.244 20 10 EGCDHN COc1ccc(CNCc2ccnc(C(F)(F)F)c2)c(O)c1OC ZINC000894688897 1309022440 /nfs/dbraw/zinc/02/24/40/1309022440.db2.gz DABIEWTVMWCWSK-UHFFFAOYSA-N 0 3 342.317 3.113 20 10 EGCDHN COc1ccc(CNCc2cnccc2C(F)(F)F)c(O)c1OC ZINC000895484825 1309365352 /nfs/dbraw/zinc/36/53/52/1309365352.db2.gz ZGSHNMOYFOYWKY-UHFFFAOYSA-N 0 3 342.317 3.113 20 10 EGCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000896386027 1309833286 /nfs/dbraw/zinc/83/32/86/1309833286.db2.gz WWRDTHRZMRFAHG-QGZVFWFLSA-N 0 3 325.408 3.254 20 10 EGCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@@H](C2OCCO2)C1 ZINC000896386027 1309833295 /nfs/dbraw/zinc/83/32/95/1309833295.db2.gz WWRDTHRZMRFAHG-QGZVFWFLSA-N 0 3 325.408 3.254 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]CC[C@@H](O)C1CC1 ZINC000898204556 1310626507 /nfs/dbraw/zinc/62/65/07/1310626507.db2.gz WMTYATNGJUJAIL-LJQANCHMSA-N 0 3 327.424 3.222 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+]CCc2cccnc2C)c1[O-] ZINC000898256648 1310650141 /nfs/dbraw/zinc/65/01/41/1310650141.db2.gz ZLKHGOKIKBSONT-UHFFFAOYSA-N 0 3 335.245 3.499 20 10 EGCDHN C[C@@H]([NH2+][C@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccccc1[O-] ZINC000800994673 1310849545 /nfs/dbraw/zinc/84/95/45/1310849545.db2.gz YPDOMLOOVDIXLL-AEFFLSMTSA-N 0 3 338.451 3.277 20 10 EGCDHN CN(Cc1ccc(N2CCOCC2)cc1)C[C@H]1CC1(Cl)Cl ZINC000838528100 1320788742 /nfs/dbraw/zinc/78/87/42/1320788742.db2.gz BTXVMIVGJSJCNM-CQSZACIVSA-N 0 3 329.271 3.149 20 10 EGCDHN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)N(C)c1ccccc1 ZINC000839564645 1320938911 /nfs/dbraw/zinc/93/89/11/1320938911.db2.gz WKYIGQRLTTVZOM-JKSUJKDBSA-N 0 3 325.456 3.455 20 10 EGCDHN CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000802653955 1317024159 /nfs/dbraw/zinc/02/41/59/1317024159.db2.gz DKQBDIYFRXIABJ-GOSISDBHSA-N 0 3 338.423 3.268 20 10 EGCDHN CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000802653955 1317024168 /nfs/dbraw/zinc/02/41/68/1317024168.db2.gz DKQBDIYFRXIABJ-GOSISDBHSA-N 0 3 338.423 3.268 20 10 EGCDHN CN(C)c1ccc([C@@H](CNC(=S)Nc2ccccc2)N(C)C)cc1 ZINC000899725051 1317138470 /nfs/dbraw/zinc/13/84/70/1317138470.db2.gz ROUZDAKMRXWLOB-GOSISDBHSA-N 0 3 342.512 3.342 20 10 EGCDHN C[C@H](NCC1=CCCOC1)c1ccc(N2CCOCC2)cc1Cl ZINC000806177629 1317469348 /nfs/dbraw/zinc/46/93/48/1317469348.db2.gz DVHDIYJZPJJAOM-AWEZNQCLSA-N 0 3 336.863 3.174 20 10 EGCDHN CCOc1ccc(C[NH2+][C@H](C)CN(C)Cc2ccccc2)c([O-])c1 ZINC000808448244 1317679194 /nfs/dbraw/zinc/67/91/94/1317679194.db2.gz ZVIJLMCOXBQCBN-MRXNPFEDSA-N 0 3 328.456 3.401 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](O)COc2ccccc2)c1[O-] ZINC000808675157 1317713586 /nfs/dbraw/zinc/71/35/86/1317713586.db2.gz YBSFBZVTAGHLAA-DZGCQCFKSA-N 0 3 335.831 3.445 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C2CCN(C(=O)C3CC3)CC2)c1[O-] ZINC000808674921 1317713937 /nfs/dbraw/zinc/71/39/37/1317713937.db2.gz QRYKSGZGYORPIP-LBPRGKRZSA-N 0 3 336.863 3.406 20 10 EGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCOC[C@@H]2CCOC2)c1[O-] ZINC000808697304 1317717518 /nfs/dbraw/zinc/71/75/18/1317717518.db2.gz BYMSCLNLJDTVAP-KGLIPLIRSA-N 0 3 327.852 3.448 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCN2CCOC(C)(C)C2)c1[O-] ZINC000808692203 1317717772 /nfs/dbraw/zinc/71/77/72/1317717772.db2.gz QGNUMHLFTWUDDG-ZDUSSCGKSA-N 0 3 326.868 3.115 20 10 EGCDHN CON(C)C(=O)CC[N@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000808742485 1317728387 /nfs/dbraw/zinc/72/83/87/1317728387.db2.gz WGKAWHABNHJHNJ-MRXNPFEDSA-N 0 3 342.439 3.365 20 10 EGCDHN CON(C)C(=O)CC[N@@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000808742485 1317728393 /nfs/dbraw/zinc/72/83/93/1317728393.db2.gz WGKAWHABNHJHNJ-MRXNPFEDSA-N 0 3 342.439 3.365 20 10 EGCDHN CCCCNC(=O)OC[C@@H]1CCCCN1Cc1cc(F)ccc1O ZINC000809691015 1317864895 /nfs/dbraw/zinc/86/48/95/1317864895.db2.gz GWTYAUXWTINLMP-INIZCTEOSA-N 0 3 338.423 3.412 20 10 EGCDHN CCCCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000809691015 1317864901 /nfs/dbraw/zinc/86/49/01/1317864901.db2.gz GWTYAUXWTINLMP-INIZCTEOSA-N 0 3 338.423 3.412 20 10 EGCDHN CCCCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000809691015 1317864907 /nfs/dbraw/zinc/86/49/07/1317864907.db2.gz GWTYAUXWTINLMP-INIZCTEOSA-N 0 3 338.423 3.412 20 10 EGCDHN CC[C@@]1(C[NH2+]Cc2c([O-])cccc2OC)OCCc2ccccc21 ZINC000810160115 1317965825 /nfs/dbraw/zinc/96/58/25/1317965825.db2.gz UVFFZVAJLRAOEY-FQEVSTJZSA-N 0 3 327.424 3.369 20 10 EGCDHN Fc1cc(CN2CC3(CCC3)[C@@H]2C2CC2)ccc1N1CCOCC1 ZINC000811514017 1318193302 /nfs/dbraw/zinc/19/33/02/1318193302.db2.gz ZYHOGWKLUSWVFA-IBGZPJMESA-N 0 3 330.447 3.427 20 10 EGCDHN Cc1ncccc1CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000858519255 1328786796 /nfs/dbraw/zinc/78/67/96/1328786796.db2.gz XQVGLDOVPWBZCK-CQSZACIVSA-N 0 3 329.419 3.217 20 10 EGCDHN C[C@H](C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-])S(C)(=O)=O ZINC000815597874 1319024596 /nfs/dbraw/zinc/02/45/96/1319024596.db2.gz IAPBAVRDGHNKQP-CRAIPNDOSA-N 0 3 347.480 3.089 20 10 EGCDHN C[C@@H]([NH2+][C@@H](CN)C1CCCC1)c1ccc(Br)cc1[O-] ZINC000817981647 1319485801 /nfs/dbraw/zinc/48/58/01/1319485801.db2.gz MFBCAQAFTXKOCQ-YGRLFVJLSA-N 0 3 327.266 3.323 20 10 EGCDHN CCc1nc(CNC[C@@H]2CCN(c3ccc(OC)cc3)C2)cs1 ZINC000818221866 1319522513 /nfs/dbraw/zinc/52/25/13/1319522513.db2.gz USQGJOJHIXPMES-AWEZNQCLSA-N 0 3 331.485 3.330 20 10 EGCDHN C[N@H+](Cc1ccccc1[O-])C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000823408804 1320176880 /nfs/dbraw/zinc/17/68/80/1320176880.db2.gz QLZKGKPVTRSILH-DNVCBOLYSA-N 0 3 332.444 3.081 20 10 EGCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000823408804 1320176882 /nfs/dbraw/zinc/17/68/82/1320176882.db2.gz QLZKGKPVTRSILH-DNVCBOLYSA-N 0 3 332.444 3.081 20 10 EGCDHN COc1cc(Br)cc(CN2CC[C@@H](SC)C2)c1O ZINC000824683778 1320277171 /nfs/dbraw/zinc/27/71/71/1320277171.db2.gz VSHYPQZWBSECSY-LLVKDONJSA-N 0 3 332.263 3.101 20 10 EGCDHN C[C@@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1=O)c1cc(F)ccc1[O-] ZINC000840882403 1321169612 /nfs/dbraw/zinc/16/96/12/1321169612.db2.gz NUIHIWPQEYXTCN-BZNIZROVSA-N 0 3 332.350 3.127 20 10 EGCDHN COc1cc(Br)cc(C[NH2+][C@H]2CS[C@H](C)C2)c1[O-] ZINC000840957733 1321186522 /nfs/dbraw/zinc/18/65/22/1321186522.db2.gz DGNFJBUHCPYQRE-LDYMZIIASA-N 0 3 332.263 3.147 20 10 EGCDHN CN(C)C(=O)c1ccccc1CNCc1ccc2c(c1)CCCN2C ZINC000841859264 1321323946 /nfs/dbraw/zinc/32/39/46/1321323946.db2.gz JLNGYRFETCKHND-UHFFFAOYSA-N 0 3 337.467 3.061 20 10 EGCDHN C[C@@H](NCc1ccc(CO)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000842893047 1321445839 /nfs/dbraw/zinc/44/58/39/1321445839.db2.gz JAAIGRNWYMOEKP-OAHLLOKOSA-N 0 3 344.430 3.005 20 10 EGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CC[C@@]1(O)CCCOC1 ZINC000846112134 1321769024 /nfs/dbraw/zinc/76/90/24/1321769024.db2.gz XIDZUWZHIXRDNR-FQEVSTJZSA-N 0 3 327.424 3.080 20 10 EGCDHN COc1cccc([C@H](C)NCc2cccc3c2OCCCO3)c1O ZINC000846154520 1321772788 /nfs/dbraw/zinc/77/27/88/1321772788.db2.gz AFOZONGPMPWKSS-ZDUSSCGKSA-N 0 3 329.396 3.413 20 10 EGCDHN COc1cccc(CNCc2cn(-c3ccc(C)cc3)nc2C)c1O ZINC000848909813 1322043612 /nfs/dbraw/zinc/04/36/12/1322043612.db2.gz BTCKMLWFJNBWIO-UHFFFAOYSA-N 0 3 337.423 3.493 20 10 EGCDHN CCOc1ccc(CN[C@H](COC)c2cccc(OC)c2)c(O)c1 ZINC000850362205 1322234694 /nfs/dbraw/zinc/23/46/94/1322234694.db2.gz JPBZMVKJNVSEKD-GOSISDBHSA-N 0 3 331.412 3.277 20 10 EGCDHN CCOc1ccc(C[NH2+][C@H](COC)c2cccc(OC)c2)c([O-])c1 ZINC000850362205 1322234700 /nfs/dbraw/zinc/23/47/00/1322234700.db2.gz JPBZMVKJNVSEKD-GOSISDBHSA-N 0 3 331.412 3.277 20 10 EGCDHN Cc1cc(CN[C@H](c2cccnc2)C(C)(C)CO)ccc1N(C)C ZINC000852091646 1323144113 /nfs/dbraw/zinc/14/41/13/1323144113.db2.gz IFHUAHXHQALCFJ-LJQANCHMSA-N 0 3 327.472 3.305 20 10 EGCDHN C[C@@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@H]1CO ZINC000857062316 1325564400 /nfs/dbraw/zinc/56/44/00/1325564400.db2.gz ZYUMTBGGUBNBKS-WBVHZDCISA-N 0 3 347.459 3.035 20 10 EGCDHN C[C@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)C1(Cl)CC1 ZINC000926560500 1327617466 /nfs/dbraw/zinc/61/74/66/1327617466.db2.gz UOSDTHQBJIWEIF-NSHDSACASA-N 0 3 330.806 3.051 20 10 EGCDHN C[C@@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)C1(Cl)CC1 ZINC000926560498 1327618126 /nfs/dbraw/zinc/61/81/26/1327618126.db2.gz UOSDTHQBJIWEIF-LLVKDONJSA-N 0 3 330.806 3.051 20 10 EGCDHN CCOCCOCC[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000927086107 1327854348 /nfs/dbraw/zinc/85/43/48/1327854348.db2.gz CYUJQNYDJPJJQV-GFCCVEGCSA-N 0 3 346.265 3.167 20 10 EGCDHN CCN(C(=O)c1cc(C)n(-c2ccccn2)c1C)C1CCN(C)CC1 ZINC000861894393 1329448409 /nfs/dbraw/zinc/44/84/09/1329448409.db2.gz CVXCLDDLIWBMSD-UHFFFAOYSA-N 0 3 340.471 3.045 20 10 EGCDHN COc1cc(Br)cc(C[NH2+][C@@H]2C[C@H]2C(F)(F)F)c1[O-] ZINC000865754215 1329735038 /nfs/dbraw/zinc/73/50/38/1329735038.db2.gz UUTVDWIIMVIDER-RKDXNWHRSA-N 0 3 340.139 3.204 20 10 EGCDHN CN(Cc1cccc(F)c1)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001324711508 1387747525 /nfs/dbraw/zinc/74/75/25/1387747525.db2.gz CPYFZUTZBLZBBJ-UHFFFAOYSA-N 0 3 345.437 3.349 20 10 EGCDHN COc1ccccc1C1(NCc2cc3c(cc2O)OCO3)CCC1 ZINC001324924688 1387826080 /nfs/dbraw/zinc/82/60/80/1387826080.db2.gz VYZNUDLZPHYQIM-UHFFFAOYSA-N 0 3 327.380 3.299 20 10 EGCDHN COc1cccc(C(=O)C2CC[NH+](Cc3ccccc3[O-])CC2)c1 ZINC001203550534 1370165889 /nfs/dbraw/zinc/16/58/89/1370165889.db2.gz YCPFPLCNUHLRGJ-UHFFFAOYSA-N 0 3 325.408 3.496 20 10 EGCDHN [O-]c1ccccc1C[NH+]1CCC2(CCOC[C@@H]2COCC2CC2)CC1 ZINC001203552494 1370167141 /nfs/dbraw/zinc/16/71/41/1370167141.db2.gz MUBAOHWAVWVXDA-LJQANCHMSA-N 0 3 345.483 3.438 20 10 EGCDHN CCCc1noc([C@H]2CCC[N@H+](Cc3ccc(OC)cc3[O-])C2)n1 ZINC001203629327 1370193346 /nfs/dbraw/zinc/19/33/46/1370193346.db2.gz WIDRPJHAUQCNKE-AWEZNQCLSA-N 0 3 331.416 3.116 20 10 EGCDHN CCCc1noc([C@H]2CCC[N@@H+](Cc3ccc(OC)cc3[O-])C2)n1 ZINC001203629327 1370193350 /nfs/dbraw/zinc/19/33/50/1370193350.db2.gz WIDRPJHAUQCNKE-AWEZNQCLSA-N 0 3 331.416 3.116 20 10 EGCDHN COc1ccc(C[N@@H+]2CCC[C@H](Oc3cc(C)ccn3)C2)c([O-])c1 ZINC001203635018 1370195305 /nfs/dbraw/zinc/19/53/05/1370195305.db2.gz GHFYKGMJAYVHKJ-KRWDZBQOSA-N 0 3 328.412 3.148 20 10 EGCDHN COc1ccc(C[N@H+]2CCC[C@H](Oc3cc(C)ccn3)C2)c([O-])c1 ZINC001203635018 1370195309 /nfs/dbraw/zinc/19/53/09/1370195309.db2.gz GHFYKGMJAYVHKJ-KRWDZBQOSA-N 0 3 328.412 3.148 20 10 EGCDHN COC(=O)C[C@H](C)[N@H+](Cc1ccccc1)Cc1ccc(OC)cc1[O-] ZINC001203634838 1370195440 /nfs/dbraw/zinc/19/54/40/1370195440.db2.gz XSNHDJGXWHSTCL-HNNXBMFYSA-N 0 3 343.423 3.355 20 10 EGCDHN COC(=O)C[C@H](C)[N@@H+](Cc1ccccc1)Cc1ccc(OC)cc1[O-] ZINC001203634838 1370195442 /nfs/dbraw/zinc/19/54/42/1370195442.db2.gz XSNHDJGXWHSTCL-HNNXBMFYSA-N 0 3 343.423 3.355 20 10 EGCDHN C[N@@H+]1CCN(Cc2cc(Br)ccc2[O-])C2(CCCC2)C1 ZINC001203648917 1370200085 /nfs/dbraw/zinc/20/00/85/1370200085.db2.gz ZKWZLDDMAROTLF-UHFFFAOYSA-N 0 3 339.277 3.215 20 10 EGCDHN C[N@H+]1CCN(Cc2cc(Br)ccc2[O-])C2(CCCC2)C1 ZINC001203648917 1370200093 /nfs/dbraw/zinc/20/00/93/1370200093.db2.gz ZKWZLDDMAROTLF-UHFFFAOYSA-N 0 3 339.277 3.215 20 10 EGCDHN COC1CC[NH+](C2CCN(Cc3cc(Cl)ccc3[O-])CC2)CC1 ZINC001203664349 1370207432 /nfs/dbraw/zinc/20/74/32/1370207432.db2.gz AIWBOIBLBZFEBI-UHFFFAOYSA-N 0 3 338.879 3.121 20 10 EGCDHN CN(C)c1ccc(CN2CCC(N3c4ccccc4CC3=O)CC2)cc1 ZINC001203933833 1370320364 /nfs/dbraw/zinc/32/03/64/1370320364.db2.gz SDZTUGLEYFZFQT-UHFFFAOYSA-N 0 3 349.478 3.306 20 10 EGCDHN Cc1nnc(C2CCN(Cc3ccc(N4CCCC4)cc3)CC2)o1 ZINC001204328583 1370445739 /nfs/dbraw/zinc/44/57/39/1370445739.db2.gz JUSYNUVTNSTNGA-UHFFFAOYSA-N 0 3 326.444 3.358 20 10 EGCDHN COc1cc(Br)cc(CN2CCC[C@H](F)CC2)c1O ZINC001204336233 1370447185 /nfs/dbraw/zinc/44/71/85/1370447185.db2.gz IBFBHZXHWIVFFM-LBPRGKRZSA-N 0 3 332.213 3.487 20 10 EGCDHN Cc1cc([O-])c(CN2C[C@H](C)CC[C@H]2C[NH3+])cc1Br ZINC001205855961 1370893377 /nfs/dbraw/zinc/89/33/77/1370893377.db2.gz RGDWOBXHDPYHHQ-MFKMUULPSA-N 0 3 327.266 3.022 20 10 EGCDHN CC(C)c1snnc1-c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC001212687496 1372752984 /nfs/dbraw/zinc/75/29/84/1372752984.db2.gz WSKKPCUACMQOQV-UHFFFAOYSA-N 0 3 329.429 3.440 20 10 EGCDHN O=C1Nc2ccccc2CC[C@@H]1NCc1ccc(N2CCCC2)cc1 ZINC001326846415 1388329419 /nfs/dbraw/zinc/32/94/19/1388329419.db2.gz LBKLOESSAHFAIK-FQEVSTJZSA-N 0 3 335.451 3.330 20 10 EGCDHN CC(=O)Nc1ccc(CN2CCCc3cc(O)c(O)cc3C2)c(C)c1 ZINC001232187263 1376415678 /nfs/dbraw/zinc/41/56/78/1376415678.db2.gz HHTSSMZTHDUOCU-UHFFFAOYSA-N 0 3 340.423 3.313 20 10 EGCDHN COC(CN(Cc1ccccc1)Cc1ccc(N(C)C)cc1O)OC ZINC001232834910 1376521769 /nfs/dbraw/zinc/52/17/69/1376521769.db2.gz PQXPZKNKFDECPN-UHFFFAOYSA-N 0 3 344.455 3.079 20 10 EGCDHN COc1cc([O-])c(CN2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)cc1Cl ZINC001235221526 1376861326 /nfs/dbraw/zinc/86/13/26/1376861326.db2.gz UVEWXNAXKXFSCE-DOTOQJQBSA-N 0 3 344.842 3.125 20 10 EGCDHN CCCN(Cc1c([O-])cccc1Br)C1CC[NH2+]CC1 ZINC001236183116 1376940636 /nfs/dbraw/zinc/94/06/36/1376940636.db2.gz UARJAEUGXMEFOW-UHFFFAOYSA-N 0 3 327.266 3.119 20 10 EGCDHN CCCN(Cc1cc(Br)c(C)cc1[O-])[C@H]1CC[NH2+]C1 ZINC001236323986 1376948850 /nfs/dbraw/zinc/94/88/50/1376948850.db2.gz MNKUOOABTLGABP-ZDUSSCGKSA-N 0 3 327.266 3.037 20 10 EGCDHN CC(C)(C(N)=O)C1CC[NH+](Cc2cc(C(F)(F)F)ccc2[O-])CC1 ZINC001237141473 1376975398 /nfs/dbraw/zinc/97/53/98/1376975398.db2.gz XCTVOBHJEVVHLQ-UHFFFAOYSA-N 0 3 344.377 3.135 20 10 EGCDHN CC(C)(C(N)=O)C1CCN(Cc2cc(C(F)(F)F)ccc2O)CC1 ZINC001237141473 1376975405 /nfs/dbraw/zinc/97/54/05/1376975405.db2.gz XCTVOBHJEVVHLQ-UHFFFAOYSA-N 0 3 344.377 3.135 20 10 EGCDHN Cc1c(CN2CCC(O)(C(F)(F)F)CC2)c2ccccc2n1C ZINC001138252647 1377693913 /nfs/dbraw/zinc/69/39/13/1377693913.db2.gz OJJHZJYNQKXZFC-UHFFFAOYSA-N 0 3 326.362 3.376 20 10 EGCDHN Cc1c(CN2CCN(CCc3ccccn3)CC2)c2ccccc2n1C ZINC001138257068 1377694783 /nfs/dbraw/zinc/69/47/83/1377694783.db2.gz URPJRIHXASLUQS-UHFFFAOYSA-N 0 3 348.494 3.242 20 10 EGCDHN CN1CCCc2cc(CN3CC4(CN(Cc5ccccc5)C4)C3)ccc21 ZINC001138356074 1377708804 /nfs/dbraw/zinc/70/88/04/1377708804.db2.gz GVSPOFCYYLAZMI-UHFFFAOYSA-N 0 3 347.506 3.387 20 10 EGCDHN CN1CCCc2cc(CN3CCCc4cc(O)c(O)cc4C3)ccc21 ZINC001138359234 1377709442 /nfs/dbraw/zinc/70/94/42/1377709442.db2.gz ODWWSSYVXWRCME-UHFFFAOYSA-N 0 3 338.451 3.429 20 10 EGCDHN CC(C)CC(=O)NC1CCN(Cc2ccc3c(c2)CCCN3C)CC1 ZINC001138358600 1377709469 /nfs/dbraw/zinc/70/94/69/1377709469.db2.gz VVYRHPCYNVEAAY-UHFFFAOYSA-N 0 3 343.515 3.196 20 10 EGCDHN CCN(CC)c1ccc(CN2C[C@H](C(=O)OC)C[C@H](C)C2)c(OC)c1 ZINC001138390185 1377714282 /nfs/dbraw/zinc/71/42/82/1377714282.db2.gz OXAFSVZDWCHEKN-DOTOQJQBSA-N 0 3 348.487 3.172 20 10 EGCDHN CCOc1cc(C[N@H+](C)Cc2ccccc2[O-])ccc1OC(C)=O ZINC001139009893 1377817318 /nfs/dbraw/zinc/81/73/18/1377817318.db2.gz XOQMKPMNBPVIOT-UHFFFAOYSA-N 0 3 329.396 3.348 20 10 EGCDHN CCOc1cc(C[N@@H+](C)Cc2ccccc2[O-])ccc1OC(C)=O ZINC001139009893 1377817319 /nfs/dbraw/zinc/81/73/19/1377817319.db2.gz XOQMKPMNBPVIOT-UHFFFAOYSA-N 0 3 329.396 3.348 20 10 EGCDHN Cc1cc(CN2CCCC[C@](O)(C(F)(F)F)C2)ccc1N(C)C ZINC001139669756 1377930409 /nfs/dbraw/zinc/93/04/09/1377930409.db2.gz MADATONLPPBQEM-MRXNPFEDSA-N 0 3 330.394 3.340 20 10 EGCDHN Cc1cc(CN2CCN3CCc4ccccc4[C@@H]3C2)ccc1N(C)C ZINC001139673198 1377931484 /nfs/dbraw/zinc/93/14/84/1377931484.db2.gz CFSJTDZBUKUXBU-QFIPXVFZSA-N 0 3 335.495 3.476 20 10 EGCDHN COCc1ccc(CN(C)Cc2ccc(N3CCOCC3)cc2)s1 ZINC001139827101 1377957882 /nfs/dbraw/zinc/95/78/82/1377957882.db2.gz OEPPXUSGSVITBL-UHFFFAOYSA-N 0 3 346.496 3.363 20 10 EGCDHN CC[N@H+]([C@H]1CCOC1)C1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC001140341199 1378049476 /nfs/dbraw/zinc/04/94/76/1378049476.db2.gz CFNYMRFIAWCEKW-HNNXBMFYSA-N 0 3 338.879 3.121 20 10 EGCDHN CC[N@@H+]([C@H]1CCOC1)C1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC001140341199 1378049481 /nfs/dbraw/zinc/04/94/81/1378049481.db2.gz CFNYMRFIAWCEKW-HNNXBMFYSA-N 0 3 338.879 3.121 20 10 EGCDHN O=C1N(CC2CCCC2)CC[C@]12CCC[N@H+]2Cc1ccccc1[O-] ZINC001272618454 1378076547 /nfs/dbraw/zinc/07/65/47/1378076547.db2.gz IJRJJRRHCHHOFW-HXUWFJFHSA-N 0 3 328.456 3.149 20 10 EGCDHN O=C1N(CC2CCCC2)CC[C@]12CCC[N@@H+]2Cc1ccccc1[O-] ZINC001272618454 1378076549 /nfs/dbraw/zinc/07/65/49/1378076549.db2.gz IJRJJRRHCHHOFW-HXUWFJFHSA-N 0 3 328.456 3.149 20 10 EGCDHN O=C1N(CC2CCCC2)CC[C@@]12CCC[N@H+]2Cc1ccccc1[O-] ZINC001272618453 1378076754 /nfs/dbraw/zinc/07/67/54/1378076754.db2.gz IJRJJRRHCHHOFW-FQEVSTJZSA-N 0 3 328.456 3.149 20 10 EGCDHN O=C1N(CC2CCCC2)CC[C@@]12CCC[N@@H+]2Cc1ccccc1[O-] ZINC001272618453 1378076756 /nfs/dbraw/zinc/07/67/56/1378076756.db2.gz IJRJJRRHCHHOFW-FQEVSTJZSA-N 0 3 328.456 3.149 20 10 EGCDHN Cc1ccc(O)c(CN2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)c1 ZINC001140621463 1378099684 /nfs/dbraw/zinc/09/96/84/1378099684.db2.gz KTGNEOZSAPPMOQ-MRXNPFEDSA-N 0 3 342.487 3.314 20 10 EGCDHN CCOC[C@@H]1CN(Cc2cc(C)ccc2O)Cc2cn(CC)nc21 ZINC001140620110 1378099690 /nfs/dbraw/zinc/09/96/90/1378099690.db2.gz CMFYJEFEQTWEIW-KRWDZBQOSA-N 0 3 329.444 3.053 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC[C@H]2c2cnccn2)c(O)c1 ZINC001140854865 1378158011 /nfs/dbraw/zinc/15/80/11/1378158011.db2.gz DXJGEPVKYGYRKC-SFHVURJKSA-N 0 3 326.444 3.366 20 10 EGCDHN COc1cc([O-])c(C[NH+]2CCC(Cc3ccncc3)CC2)c(OC)c1 ZINC001141030687 1378212859 /nfs/dbraw/zinc/21/28/59/1378212859.db2.gz GSVIBRJPMFGGGC-UHFFFAOYSA-N 0 3 342.439 3.259 20 10 EGCDHN COC(=O)[C@H]1CCN(Cc2cc(O)ccc2O)[C@H](c2ccccc2)C1 ZINC001141162319 1378254812 /nfs/dbraw/zinc/25/48/12/1378254812.db2.gz PBGPYWLGFPEQQR-YJBOKZPZSA-N 0 3 341.407 3.224 20 10 EGCDHN COC[C@@H]1Cn2nccc2CN(Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143108929 1378542051 /nfs/dbraw/zinc/54/20/51/1378542051.db2.gz ZOESPOMHRUEZAD-HNNXBMFYSA-N 0 3 343.471 3.165 20 10 EGCDHN COc1ccc(N2CCN(CCCNc3cccnc3C)CC2)cc1 ZINC001164334434 1383178559 /nfs/dbraw/zinc/17/85/59/1383178559.db2.gz UIISRBFUPYJBED-UHFFFAOYSA-N 0 3 340.471 3.023 20 10 EGCDHN CC(C)CNC(=O)CN[C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC001319859398 1386339551 /nfs/dbraw/zinc/33/95/51/1386339551.db2.gz UIZOLAUDVZHRCA-KRWDZBQOSA-N 0 3 331.504 3.490 20 10 EGCDHN Nc1ccc(CN2CCCC[C@@H]2CNC(=O)Nc2ccccc2)cc1 ZINC001352790120 1391849520 /nfs/dbraw/zinc/84/95/20/1391849520.db2.gz OTVGTPPHRLCDBC-LJQANCHMSA-N 0 3 338.455 3.445 20 10 EGCDHN COc1ccc(CNC/C=C/CNC(=O)C2(C)CC=CC2)cc1C ZINC001754166191 1440546419 /nfs/dbraw/zinc/54/64/19/1440546419.db2.gz GWJDDUULUMEMBO-VOTSOKGWSA-N 0 3 328.456 3.122 20 10 EGCDHN C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cccc(-c2nnn[n-]2)c1 ZINC000824618254 946867659 /nfs/dbraw/zinc/86/76/59/946867659.db2.gz NYYYXXMQWLBFFX-CQSZACIVSA-N 0 3 348.454 3.100 20 10 EGCDHN C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cccc(-c2nn[n-]n2)c1 ZINC000824618254 946867676 /nfs/dbraw/zinc/86/76/76/946867676.db2.gz NYYYXXMQWLBFFX-CQSZACIVSA-N 0 3 348.454 3.100 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1[O-] ZINC000180316169 455157269 /nfs/dbraw/zinc/15/72/69/455157269.db2.gz CKIAYLIRBAMINM-DOMZBBRYSA-N 0 3 340.261 3.464 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1[O-] ZINC000180316169 455157271 /nfs/dbraw/zinc/15/72/71/455157271.db2.gz CKIAYLIRBAMINM-DOMZBBRYSA-N 0 3 340.261 3.464 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c1[O-] ZINC000295105564 455838760 /nfs/dbraw/zinc/83/87/60/455838760.db2.gz VNMBSTCSHMDHFI-GOOCMWNKSA-N 0 3 339.277 3.178 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C[C@@H]1CCCOC1 ZINC000183138724 455236583 /nfs/dbraw/zinc/23/65/83/455236583.db2.gz WVPUJEJDGCPSKZ-KRWDZBQOSA-N 0 3 327.424 3.487 20 10 EGCDHN COc1ccc(N2CCN(Cc3cc4c(cc3O)CCC4)CC2)cc1 ZINC000005939238 452912027 /nfs/dbraw/zinc/91/20/27/452912027.db2.gz DQCQUKZQVRZXPQ-UHFFFAOYSA-N 0 3 338.451 3.212 20 10 EGCDHN CCn1nc(C)c(CN(Cc2ccccc2O)C[C@@H]2CCCO2)c1C ZINC000160181694 455435534 /nfs/dbraw/zinc/43/55/34/455435534.db2.gz WXHGEUCUARMBLZ-SFHVURJKSA-N 0 3 343.471 3.407 20 10 EGCDHN COc1ccc(N2CCC(NCc3ccccc3OC)CC2)cc1 ZINC000102432869 454505437 /nfs/dbraw/zinc/50/54/37/454505437.db2.gz ZPTXYBHATCWAHG-UHFFFAOYSA-N 0 3 326.440 3.462 20 10 EGCDHN CN(C)c1ccc(CN2CCC(OC[C@@H]3CCCO3)CC2)cc1F ZINC000122970706 454587376 /nfs/dbraw/zinc/58/73/76/454587376.db2.gz KNDUCDXFTBQCLV-KRWDZBQOSA-N 0 3 336.451 3.052 20 10 EGCDHN CCOc1cccc(C[NH+]2CCC(CN3CCCCC3=O)CC2)c1[O-] ZINC000093532120 454719658 /nfs/dbraw/zinc/71/96/58/454719658.db2.gz FMYISGOKOLSQKS-UHFFFAOYSA-N 0 3 346.471 3.015 20 10 EGCDHN CCC(=O)N1CC[C@@H](N[C@@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000126340378 454886756 /nfs/dbraw/zinc/88/67/56/454886756.db2.gz YEFWIQGQVGBMNR-FUHWJXTLSA-N 0 3 329.488 3.338 20 10 EGCDHN COCC[C@@H](C)[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000167909444 454925061 /nfs/dbraw/zinc/92/50/61/454925061.db2.gz ROADZGUBEOZEPU-CJNGLKHVSA-N 0 3 326.868 3.025 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C2CCN(Cc3ccccn3)CC2)c1 ZINC000185053772 455493329 /nfs/dbraw/zinc/49/33/29/455493329.db2.gz XDWUGWGOWUJYNZ-OAHLLOKOSA-N 0 3 341.455 3.111 20 10 EGCDHN CC[C@H]([NH2+]C[C@H](c1ccc(C)o1)N1CCOCC1)c1ccccc1[O-] ZINC000154969818 454948910 /nfs/dbraw/zinc/94/89/10/454948910.db2.gz FHMATTABJASYNM-ZWKOTPCHSA-N 0 3 344.455 3.408 20 10 EGCDHN C[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)[C@@H](N)c1ccccc1 ZINC000178710692 454968101 /nfs/dbraw/zinc/96/81/01/454968101.db2.gz AITKHVXJWIWNQB-OXQOHEQNSA-N 0 3 337.467 3.239 20 10 EGCDHN O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179559927 455058055 /nfs/dbraw/zinc/05/80/55/455058055.db2.gz AJTVOYHMXHAIIL-CQSZACIVSA-N 0 3 345.830 3.291 20 10 EGCDHN O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000179559927 455058057 /nfs/dbraw/zinc/05/80/57/455058057.db2.gz AJTVOYHMXHAIIL-CQSZACIVSA-N 0 3 345.830 3.291 20 10 EGCDHN Cc1cccc(CN2CCC(n3c4ccccc4[nH]c3=O)CC2)c1O ZINC000179624030 455061226 /nfs/dbraw/zinc/06/12/26/455061226.db2.gz NTTKYQSOWHISTK-UHFFFAOYSA-N 0 3 337.423 3.181 20 10 EGCDHN COc1ccc([O-])c(C[NH2+]C[C@@H](c2ccccc2)N2CCCC2)c1 ZINC000237360824 455177157 /nfs/dbraw/zinc/17/71/57/455177157.db2.gz AFFVFAGWBKYUAN-IBGZPJMESA-N 0 3 326.440 3.328 20 10 EGCDHN CCS(=O)(=O)c1ccc([C@@H](C)NCc2ccc(N(C)C)cc2)cc1 ZINC000158813109 455330726 /nfs/dbraw/zinc/33/07/26/455330726.db2.gz XZJZTFLRNKUDTB-OAHLLOKOSA-N 0 3 346.496 3.397 20 10 EGCDHN [O-]c1cc2c(cc1C[NH2+]CCc1ccccc1OC(F)F)OCO2 ZINC000190881538 455396397 /nfs/dbraw/zinc/39/63/97/455396397.db2.gz PBIMSUKVTCWGDA-UHFFFAOYSA-N 0 3 337.322 3.055 20 10 EGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](c2ccccc2)N2CCOCC2)c1 ZINC000184919119 455472634 /nfs/dbraw/zinc/47/26/34/455472634.db2.gz WJOPDPOAIWBJPH-PXNSSMCTSA-N 0 3 340.467 3.425 20 10 EGCDHN C[C@H]([NH2+]C[C@@H](c1ccccc1)N1CCOCC1)c1cc(F)ccc1[O-] ZINC000184919414 455472652 /nfs/dbraw/zinc/47/26/52/455472652.db2.gz WTZLODSIRSJDJU-KXBFYZLASA-N 0 3 344.430 3.255 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]C2CCN(Cc3ccncc3)CC2)c([O-])c1 ZINC000185069167 455495703 /nfs/dbraw/zinc/49/57/03/455495703.db2.gz GXTAHPZYOLLYHW-INIZCTEOSA-N 0 3 325.456 3.411 20 10 EGCDHN CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1 ZINC000185123151 455506423 /nfs/dbraw/zinc/50/64/23/455506423.db2.gz YDMREEVWBTWMBX-KBPBESRZSA-N 0 3 348.468 3.021 20 10 EGCDHN CC[C@H]([NH2+]C[C@H](O)c1cc(OC)cc(OC)c1)c1ccccc1[O-] ZINC000185211659 455522231 /nfs/dbraw/zinc/52/22/31/455522231.db2.gz HNAIUMRBCCNOKR-HKUYNNGSSA-N 0 3 331.412 3.184 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]CCCc2nnc3n2CCCCC3)c([O-])c1 ZINC000185321815 455539407 /nfs/dbraw/zinc/53/94/07/455539407.db2.gz YGFXHECYUSHISY-HNNXBMFYSA-N 0 3 328.460 3.302 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2ccc(F)c(F)c2)c([O-])c1 ZINC000185375212 455550826 /nfs/dbraw/zinc/55/08/26/455550826.db2.gz DGYYCIHOZYAHKP-QWHCGFSZSA-N 0 3 337.366 3.069 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000185442560 455559413 /nfs/dbraw/zinc/55/94/13/455559413.db2.gz ZHBZQHXYLXDUDY-OLZOCXBDSA-N 0 3 336.432 3.061 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)c1 ZINC000185464275 455561248 /nfs/dbraw/zinc/56/12/48/455561248.db2.gz OESZLNBSLCVYIV-HIFRSBDPSA-N 0 3 340.423 3.136 20 10 EGCDHN COc1ccc([C@H](CN(C)C)NCc2ccc(OC)c(C)c2)cc1 ZINC000283968339 455618352 /nfs/dbraw/zinc/61/83/52/455618352.db2.gz KYEGOWUJFRHDEZ-IBGZPJMESA-N 0 3 328.456 3.405 20 10 EGCDHN COc1ccc([C@H](CCO)N[C@H](C)c2cc(OC)ccc2O)cc1 ZINC000185826073 455629919 /nfs/dbraw/zinc/62/99/19/455629919.db2.gz KXERVTHKBNUHJW-ACJLOTCBSA-N 0 3 331.412 3.184 20 10 EGCDHN Cc1cc([O-])c(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)cc1C ZINC000192533658 455638259 /nfs/dbraw/zinc/63/82/59/455638259.db2.gz YARZAPSWALJOAS-UHFFFAOYSA-N 0 3 330.472 3.234 20 10 EGCDHN CO[C@@H](c1ccc(F)cc1)[C@@H](C)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000271473375 455650537 /nfs/dbraw/zinc/65/05/37/455650537.db2.gz KZXPFRZLCBNACC-ADLMAVQZSA-N 0 3 333.359 3.126 20 10 EGCDHN O=C(c1ccccc1Cl)N1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000268876305 455717473 /nfs/dbraw/zinc/71/74/73/455717473.db2.gz VFPYNFPKIUYAMS-UHFFFAOYSA-N 0 3 344.842 3.440 20 10 EGCDHN CC[C@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1[O-] ZINC000186303452 455738458 /nfs/dbraw/zinc/73/84/58/455738458.db2.gz SCEPVJKHWRBXMG-MJGOQNOKSA-N 0 3 338.451 3.482 20 10 EGCDHN Cc1cc(C)c([C@H](C)[NH2+]CCNC(=O)c2ccccc2F)c([O-])c1 ZINC000285011382 455777298 /nfs/dbraw/zinc/77/72/98/455777298.db2.gz HCULTHWMIVNROZ-AWEZNQCLSA-N 0 3 330.403 3.229 20 10 EGCDHN O=C(C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-])NCC1CC1 ZINC000294079904 455804679 /nfs/dbraw/zinc/80/46/79/455804679.db2.gz IJAMMHRJTCVIDF-LJQANCHMSA-N 0 3 338.451 3.182 20 10 EGCDHN COC[C@H](C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-])OC ZINC000294360321 455812857 /nfs/dbraw/zinc/81/28/57/455812857.db2.gz QJBHEDAQDJFSPX-PKOBYXMFSA-N 0 3 329.440 3.317 20 10 EGCDHN C[C@H](c1ccccc1)[N@H+](CCC(=O)N(C)C)Cc1ccccc1[O-] ZINC000272063608 455835587 /nfs/dbraw/zinc/83/55/87/455835587.db2.gz SNYCCIMILXUIIK-MRXNPFEDSA-N 0 3 326.440 3.434 20 10 EGCDHN C[C@H](c1ccccc1)[N@@H+](CCC(=O)N(C)C)Cc1ccccc1[O-] ZINC000272063608 455835590 /nfs/dbraw/zinc/83/55/90/455835590.db2.gz SNYCCIMILXUIIK-MRXNPFEDSA-N 0 3 326.440 3.434 20 10 EGCDHN Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(NS(C)(=O)=O)cc2)c([O-])c1 ZINC000285409485 455839875 /nfs/dbraw/zinc/83/98/75/455839875.db2.gz XONIXQNUEDUOMK-CQSZACIVSA-N 0 3 348.468 3.231 20 10 EGCDHN CC[C@H]([NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1)c1ccc(C)cc1[O-] ZINC000280056222 455882659 /nfs/dbraw/zinc/88/26/59/455882659.db2.gz JZCYJVRNVPPXTP-GBESFXJTSA-N 0 3 332.488 3.119 20 10 EGCDHN CC[C@@H]([NH2+]C[C@@H](O)c1cc(OC)cc(OC)c1)c1ccc(C)cc1[O-] ZINC000280092010 455889900 /nfs/dbraw/zinc/88/99/00/455889900.db2.gz MLSKQIPCXXURAF-UYAOXDASSA-N 0 3 345.439 3.492 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2C=C[C@H](CO)C2)c1[O-] ZINC000187312210 455893838 /nfs/dbraw/zinc/89/38/38/455893838.db2.gz RXHHKNLNYSOKFT-GMXVVIOVSA-N 0 3 326.234 3.051 20 10 EGCDHN O=C1[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCCN1C1CCCCC1 ZINC000296349125 455915534 /nfs/dbraw/zinc/91/55/34/455915534.db2.gz HIVOFBKOXKYUGH-SJORKVTESA-N 0 3 328.456 3.293 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CCCC2)c([O-])c1C ZINC000285833773 455924854 /nfs/dbraw/zinc/92/48/54/455924854.db2.gz XWBQUORXCHHFQK-CQSZACIVSA-N 0 3 325.474 3.017 20 10 EGCDHN [O-]c1ccc(F)cc1C[NH2+]CCCCn1cc(Br)cn1 ZINC000280584474 456006587 /nfs/dbraw/zinc/00/65/87/456006587.db2.gz MRHACMCEFYWLDF-UHFFFAOYSA-N 0 3 342.212 3.060 20 10 EGCDHN COc1cc(Cl)cc(C[NH+]2CCC([C@H]3CCCO3)CC2)c1[O-] ZINC000188262062 456031482 /nfs/dbraw/zinc/03/14/82/456031482.db2.gz BJUDDQZVBPYOLU-OAHLLOKOSA-N 0 3 325.836 3.445 20 10 EGCDHN COc1cc([O-])c(C[NH2+]CCc2ccc(SC)cc2)cc1OC ZINC000280849959 456065960 /nfs/dbraw/zinc/06/59/60/456065960.db2.gz ZLUZPJWWXYFWQN-UHFFFAOYSA-N 0 3 333.453 3.464 20 10 EGCDHN CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)N2CCCC2)C1)c1ccccc1[O-] ZINC000287394487 456068206 /nfs/dbraw/zinc/06/82/06/456068206.db2.gz IUZPPEXLYBRYLS-NVXWUHKLSA-N 0 3 331.460 3.113 20 10 EGCDHN CC[C@@H]([NH2+]CCCN1CCN(CC)CC1)c1cccc(Cl)c1[O-] ZINC000287769995 456077405 /nfs/dbraw/zinc/07/74/05/456077405.db2.gz RLFZRIGHWLUYBZ-QGZVFWFLSA-N 0 3 339.911 3.114 20 10 EGCDHN CC(=O)NCC1CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000271115785 456131001 /nfs/dbraw/zinc/13/10/01/456131001.db2.gz BOSMZLFHUHSXBW-UHFFFAOYSA-N 0 3 338.451 3.407 20 10 EGCDHN COc1cccc(CNCc2ccc(OC(F)F)c(F)c2)c1O ZINC000289571761 456131220 /nfs/dbraw/zinc/13/12/20/456131220.db2.gz ZTEWHQIDGSWGJG-UHFFFAOYSA-N 0 3 327.302 3.431 20 10 EGCDHN [O-]c1cccc2c1[C@H]([NH2+]Cc1ccnc(OC3CCOCC3)c1)CC2 ZINC000297159913 456136422 /nfs/dbraw/zinc/13/64/22/456136422.db2.gz BHLRFNZZKHFYPZ-QGZVFWFLSA-N 0 3 340.423 3.122 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC(CNC(C)=O)CC2)cc1F ZINC000271146903 456140969 /nfs/dbraw/zinc/14/09/69/456140969.db2.gz SCDDSXAZJGNCLN-UHFFFAOYSA-N 0 3 335.467 3.020 20 10 EGCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1 ZINC000297421264 456215777 /nfs/dbraw/zinc/21/57/77/456215777.db2.gz USBFWBZPQNMLMJ-MKVSYHDVSA-N 0 3 332.444 3.217 20 10 EGCDHN CCN1CCC([NH2+][C@H](C)c2ccc(Br)cc2[O-])CC1 ZINC000273437541 456230396 /nfs/dbraw/zinc/23/03/96/456230396.db2.gz XMCFAMHEJPCPDJ-LLVKDONJSA-N 0 3 327.266 3.290 20 10 EGCDHN Cc1ccc([C@@H](C)N[C@H](C)C(=O)NCc2ccccc2)c(O)c1C ZINC000273430413 456230748 /nfs/dbraw/zinc/23/07/48/456230748.db2.gz VLPCJLKSNXBRTB-HZPDHXFCSA-N 0 3 326.440 3.365 20 10 EGCDHN C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1)c1cc(Cl)ccc1[O-] ZINC000273480066 456232883 /nfs/dbraw/zinc/23/28/83/456232883.db2.gz LVLFOCFTUUSPHC-XZOAIXRZSA-N 0 3 338.879 3.074 20 10 EGCDHN C[C@H]([NH2+]Cc1cccc(C(=O)NC2CC2)c1)c1cc(F)ccc1[O-] ZINC000273562352 456239088 /nfs/dbraw/zinc/23/90/88/456239088.db2.gz IOPIIXUYDWJXKR-LBPRGKRZSA-N 0 3 328.387 3.274 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]CC2([C@@H](C)CCO)CCC2)c1[O-] ZINC000273733151 456243277 /nfs/dbraw/zinc/24/32/77/456243277.db2.gz KQPWWNONRUVNBO-LBPRGKRZSA-N 0 3 327.852 3.333 20 10 EGCDHN COc1cc(Cl)cc(C[NH+]2CCC(C3(C)OCCO3)CC2)c1[O-] ZINC000273702103 456243501 /nfs/dbraw/zinc/24/35/01/456243501.db2.gz DLLGCEXSTHJIOA-UHFFFAOYSA-N 0 3 341.835 3.029 20 10 EGCDHN CCN(CC)c1ccc(CN[C@H]2CCO[C@@H]2c2nccn2C)cc1F ZINC000275502645 456275767 /nfs/dbraw/zinc/27/57/67/456275767.db2.gz JQWXPZMQZKNHIB-WMZOPIPTSA-N 0 3 346.450 3.025 20 10 EGCDHN COc1cccc(CN[C@H](CN(C)C)c2ccc(Cl)cc2)c1O ZINC000282571854 456556910 /nfs/dbraw/zinc/55/69/10/456556910.db2.gz ARZHBMZZNQAGJO-MRXNPFEDSA-N 0 3 334.847 3.447 20 10 EGCDHN Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)c1[O-] ZINC000283145520 456721006 /nfs/dbraw/zinc/72/10/06/456721006.db2.gz XCQKMHNYASFRHT-QGZVFWFLSA-N 0 3 325.412 3.097 20 10 EGCDHN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000283536028 456798594 /nfs/dbraw/zinc/79/85/94/456798594.db2.gz GSNSBQJINVRVFH-DOTOQJQBSA-N 0 3 345.487 3.329 20 10 EGCDHN CCCCN(Cc1ccccc1O)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000283697898 456825674 /nfs/dbraw/zinc/82/56/74/456825674.db2.gz QHLHGDRABAHTGW-OAHLLOKOSA-N 0 3 333.476 3.187 20 10 EGCDHN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000283694809 456826403 /nfs/dbraw/zinc/82/64/03/456826403.db2.gz RJGFJEOKBPULSD-MAUKXSAKSA-N 0 3 345.487 3.187 20 10 EGCDHN Cc1c2ccccc2n(C)c1CNC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000352126241 457340538 /nfs/dbraw/zinc/34/05/38/457340538.db2.gz QZBYDJULPOASIV-IJEWVQPXSA-N 0 3 327.472 3.364 20 10 EGCDHN Cc1cc(O)c(CN2CCCN(c3ncccc3F)CC2)cc1C ZINC000363841227 457454190 /nfs/dbraw/zinc/45/41/90/457454190.db2.gz CYOGKFQXIYYEKT-UHFFFAOYSA-N 0 3 329.419 3.255 20 10 EGCDHN Cc1cc([O-])c(C[N@@H+]2CCCN(c3ncccc3F)CC2)cc1C ZINC000363841227 457454197 /nfs/dbraw/zinc/45/41/97/457454197.db2.gz CYOGKFQXIYYEKT-UHFFFAOYSA-N 0 3 329.419 3.255 20 10 EGCDHN Cc1cc([O-])c(C[N@H+]2CCCN(c3ncccc3F)CC2)cc1C ZINC000363841227 457454203 /nfs/dbraw/zinc/45/42/03/457454203.db2.gz CYOGKFQXIYYEKT-UHFFFAOYSA-N 0 3 329.419 3.255 20 10 EGCDHN C[C@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1ccc(Br)cc1[O-] ZINC000370393063 457638260 /nfs/dbraw/zinc/63/82/60/457638260.db2.gz AAWPDKZAIQGIFP-CABZTGNLSA-N 0 3 336.233 3.086 20 10 EGCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+][C@H]2CCSC2)C1 ZINC000366299322 457805252 /nfs/dbraw/zinc/80/52/52/457805252.db2.gz NHZWVUCVLSZFOC-GJZGRUSLSA-N 0 3 326.893 3.105 20 10 EGCDHN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000371466548 457946745 /nfs/dbraw/zinc/94/67/45/457946745.db2.gz PXECERUOFMQMPH-GFCCVEGCSA-N 0 3 332.835 3.421 20 10 EGCDHN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000371466548 457946751 /nfs/dbraw/zinc/94/67/51/457946751.db2.gz PXECERUOFMQMPH-GFCCVEGCSA-N 0 3 332.835 3.421 20 10 EGCDHN Cc1c2ccccc2n(C)c1CNC(=O)N(CCN(C)C)CC(C)C ZINC000472228287 458775857 /nfs/dbraw/zinc/77/58/57/458775857.db2.gz ZGQSYLQHKTVRJY-UHFFFAOYSA-N 0 3 344.503 3.216 20 10 EGCDHN COc1cccc([C@H](C[NH2+][C@H](C)c2cc(OC)ccc2[O-])OC)c1 ZINC000527929384 459774851 /nfs/dbraw/zinc/77/48/51/459774851.db2.gz RTNFTSMMHLFBLH-YJYMSZOUSA-N 0 3 331.412 3.448 20 10 EGCDHN O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCCN1C1CCCC1 ZINC000269714402 547341872 /nfs/dbraw/zinc/34/18/72/547341872.db2.gz RVZUKEVEYMEIJT-HXUWFJFHSA-N 0 3 341.499 3.310 20 10 EGCDHN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H](N3CCCC3)C2)cc1 ZINC000727109402 574648990 /nfs/dbraw/zinc/64/89/90/574648990.db2.gz FXNCYIYCIJUMPN-HXUWFJFHSA-N 0 3 337.467 3.404 20 10 EGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H]1CN2CCC[C@H]2CO1 ZINC000729683584 574879107 /nfs/dbraw/zinc/87/91/07/574879107.db2.gz PESXBIGJRZHQII-VQTJNVASSA-N 0 3 338.451 3.012 20 10 EGCDHN Cc1cc(NC(=O)CC[N@H+](Cc2ccccc2[O-])C2CCCC2)no1 ZINC000731847050 575212348 /nfs/dbraw/zinc/21/23/48/575212348.db2.gz BJSBWDCPZMJMTR-UHFFFAOYSA-N 0 3 343.427 3.462 20 10 EGCDHN Cc1cc(NC(=O)CC[N@@H+](Cc2ccccc2[O-])C2CCCC2)no1 ZINC000731847050 575212351 /nfs/dbraw/zinc/21/23/51/575212351.db2.gz BJSBWDCPZMJMTR-UHFFFAOYSA-N 0 3 343.427 3.462 20 10 EGCDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)COCc1ccco1)C1CCCC1 ZINC000733613632 575375236 /nfs/dbraw/zinc/37/52/36/575375236.db2.gz FBMWFMCOKMLAKP-SFHVURJKSA-N 0 3 345.439 3.308 20 10 EGCDHN [O-]c1ccccc1C[N@H+](C[C@H](O)COCc1ccco1)C1CCCC1 ZINC000733613632 575375238 /nfs/dbraw/zinc/37/52/38/575375238.db2.gz FBMWFMCOKMLAKP-SFHVURJKSA-N 0 3 345.439 3.308 20 10 EGCDHN CC[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)N(CC)CC ZINC000735998085 575750106 /nfs/dbraw/zinc/75/01/06/575750106.db2.gz KMCLVMQWRVIALL-IBGZPJMESA-N 0 3 331.504 3.364 20 10 EGCDHN Cc1cc(C(=O)N(C)[C@H]2CCCN(C)C2)c(C)n1-c1ccc(F)cc1 ZINC000741718784 576713305 /nfs/dbraw/zinc/71/33/05/576713305.db2.gz CSUNBHSHNNHLBX-SFHVURJKSA-N 0 3 343.446 3.399 20 10 EGCDHN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)cc1 ZINC000741723392 576713703 /nfs/dbraw/zinc/71/37/03/576713703.db2.gz DIUAZDKRIOCQSH-SJLPKXTDSA-N 0 3 325.456 3.307 20 10 EGCDHN COc1ccc(N2CCC(NCc3cn4ccccc4n3)CC2)cc1 ZINC000742369762 576774567 /nfs/dbraw/zinc/77/45/67/576774567.db2.gz RBFAWUNDIJWYSM-UHFFFAOYSA-N 0 3 336.439 3.102 20 10 EGCDHN CC[C@H](O)CCCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000742373042 576775154 /nfs/dbraw/zinc/77/51/54/576775154.db2.gz DTENZQNIMXXSJZ-INIZCTEOSA-N 0 3 335.448 3.226 20 10 EGCDHN COC[C@@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(C)C ZINC000742373376 576775190 /nfs/dbraw/zinc/77/51/90/576775190.db2.gz APLWQPIMONJDBV-MRXNPFEDSA-N 0 3 335.448 3.346 20 10 EGCDHN C[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820413846 607012458 /nfs/dbraw/zinc/01/24/58/607012458.db2.gz WFZYDVOZWGXOKC-ZIAGYGMSSA-N 0 3 336.443 3.345 20 10 EGCDHN C[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820413846 607012459 /nfs/dbraw/zinc/01/24/59/607012459.db2.gz WFZYDVOZWGXOKC-ZIAGYGMSSA-N 0 3 336.443 3.345 20 10 EGCDHN CCOCc1cc(CNCc2ccc([S@](C)=O)cc2)ccc1OC ZINC000751154579 1299517178 /nfs/dbraw/zinc/51/71/78/1299517178.db2.gz YFWIACQTZPWIPU-DEOSSOPVSA-N 0 3 347.480 3.259 20 10 EGCDHN Cc1cc(CN2CCC[C@H]2C(=O)NC2CC2)ccc1N1CCCCC1 ZINC000827813694 1292380381 /nfs/dbraw/zinc/38/03/81/1292380381.db2.gz YMCGQPYBZVYVHG-FQEVSTJZSA-N 0 3 341.499 3.228 20 10 EGCDHN CCN(C)c1ccc(CN(Cc2cccc(C(N)=O)c2)C2CC2)cc1 ZINC000830539426 1292729885 /nfs/dbraw/zinc/72/98/85/1292729885.db2.gz HUPOBNVHKSSQBW-UHFFFAOYSA-N 0 3 337.467 3.406 20 10 EGCDHN Cc1ccc(C)c(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2[O-])c1C ZINC000111235776 1293102376 /nfs/dbraw/zinc/10/23/76/1293102376.db2.gz LJMNXTWTUKCHNW-SFHVURJKSA-N 0 3 329.440 3.189 20 10 EGCDHN Cc1ccc(C)c(OC[C@@H](O)C[N@H+](C)Cc2ccccc2[O-])c1C ZINC000111235776 1293102380 /nfs/dbraw/zinc/10/23/80/1293102380.db2.gz LJMNXTWTUKCHNW-SFHVURJKSA-N 0 3 329.440 3.189 20 10 EGCDHN [O-]c1cccc2c1[C@H]([NH2+]CCOc1ncccc1C(F)(F)F)CC2 ZINC000834689831 1293132408 /nfs/dbraw/zinc/13/24/08/1293132408.db2.gz SYLPCQYPSXKFEP-CYBMUJFWSA-N 0 3 338.329 3.462 20 10 EGCDHN CCCN(Cc1cc(=O)n2c(C)csc2n1)Cc1ccccc1O ZINC000130721358 1293667332 /nfs/dbraw/zinc/66/73/32/1293667332.db2.gz ANOFNAHBTVXJHF-UHFFFAOYSA-N 0 3 343.452 3.182 20 10 EGCDHN CCC[N@H+](Cc1cc(=O)n2c(C)csc2n1)Cc1ccccc1[O-] ZINC000130721358 1293667340 /nfs/dbraw/zinc/66/73/40/1293667340.db2.gz ANOFNAHBTVXJHF-UHFFFAOYSA-N 0 3 343.452 3.182 20 10 EGCDHN CCC[N@@H+](Cc1cc(=O)n2c(C)csc2n1)Cc1ccccc1[O-] ZINC000130721358 1293667348 /nfs/dbraw/zinc/66/73/48/1293667348.db2.gz ANOFNAHBTVXJHF-UHFFFAOYSA-N 0 3 343.452 3.182 20 10 EGCDHN COc1cc(C)cc(CN2CCO[C@@]3(CCc4ccccc43)C2)c1O ZINC000164606999 1294351149 /nfs/dbraw/zinc/35/11/49/1294351149.db2.gz JNZAWXUEJLOZRZ-NRFANRHFSA-N 0 3 339.435 3.383 20 10 EGCDHN Cc1cc(N2CCN(Cc3cccc(C)c3O)CC2)nc(C(C)C)n1 ZINC000179622798 1294808137 /nfs/dbraw/zinc/80/81/37/1294808137.db2.gz LDFLZBCLJUWUPC-UHFFFAOYSA-N 0 3 340.471 3.245 20 10 EGCDHN [O-]c1ccc(Br)cc1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000179641378 1294809586 /nfs/dbraw/zinc/80/95/86/1294809586.db2.gz FIPBRWOXFUNFBV-OAHLLOKOSA-N 0 3 339.277 3.215 20 10 EGCDHN Cc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c(CN(C)C)c1 ZINC000180781255 1294916274 /nfs/dbraw/zinc/91/62/74/1294916274.db2.gz KEWIQGZROSPYBO-RMKNXTFCSA-N 0 3 326.396 3.120 20 10 EGCDHN Cc1cncc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000181844614 1294996319 /nfs/dbraw/zinc/99/63/19/1294996319.db2.gz OZLANFGLOQDGOO-HNNXBMFYSA-N 0 3 329.419 3.217 20 10 EGCDHN CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183627708 1295135269 /nfs/dbraw/zinc/13/52/69/1295135269.db2.gz YSSNJAQYTIBLFI-GJZGRUSLSA-N 0 3 333.453 3.295 20 10 EGCDHN CCCNC(=O)CNCc1ccc(N(CC)Cc2ccccc2)cc1 ZINC000236854459 1296207956 /nfs/dbraw/zinc/20/79/56/1296207956.db2.gz YOZVEJKPTDCMTI-UHFFFAOYSA-N 0 3 339.483 3.329 20 10 EGCDHN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2[O-])[C@H]1Oc1ccccc1 ZINC000249462057 1296444750 /nfs/dbraw/zinc/44/47/50/1296444750.db2.gz RDKQORNINOJWMK-QXAKKESOSA-N 0 3 331.387 3.246 20 10 EGCDHN CC(C)(C)OC(=O)N[C@@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)C1CC1 ZINC000383740036 1297574832 /nfs/dbraw/zinc/57/48/32/1297574832.db2.gz CEYZBSATAYCKLY-CABCVRRESA-N 0 3 332.444 3.272 20 10 EGCDHN CC[NH+]1CCC(N(C)Cc2c([O-])cccc2Br)CC1 ZINC000707135490 1298226816 /nfs/dbraw/zinc/22/68/16/1298226816.db2.gz OLWZWVULGLQMFF-UHFFFAOYSA-N 0 3 327.266 3.071 20 10 EGCDHN CN1CCCC[C@H](C[NH2+]Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715719835 1298283848 /nfs/dbraw/zinc/28/38/48/1298283848.db2.gz VEGKXBGNYCJMGC-LLVKDONJSA-N 0 3 345.256 3.115 20 10 EGCDHN Cc1ccc(O)c(CNC(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)c1 ZINC000875572540 1298393232 /nfs/dbraw/zinc/39/32/32/1298393232.db2.gz FJZCANPSWNTBEY-DNVCBOLYSA-N 0 3 341.455 3.191 20 10 EGCDHN C[C@H](c1ccccn1)N(C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877169894 1299192343 /nfs/dbraw/zinc/19/23/43/1299192343.db2.gz HAQLPRRKIIEEQB-MRXNPFEDSA-N 0 3 325.456 3.236 20 10 EGCDHN Cc1ccc(C[N@@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)c([O-])c1 ZINC000877537483 1299378571 /nfs/dbraw/zinc/37/85/71/1299378571.db2.gz LZFFVYVJLAJQTG-FQEVSTJZSA-N 0 3 329.415 3.267 20 10 EGCDHN Cc1ccc(C[N@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)c([O-])c1 ZINC000877537483 1299378580 /nfs/dbraw/zinc/37/85/80/1299378580.db2.gz LZFFVYVJLAJQTG-FQEVSTJZSA-N 0 3 329.415 3.267 20 10 EGCDHN C[C@H]1C[C@@H]([NH2+]CCc2nnc3n2CCCCC3)c2c1c(F)ccc2[O-] ZINC000756398676 1300484717 /nfs/dbraw/zinc/48/47/17/1300484717.db2.gz XPTHYFZEXYJWTD-GXTWGEPZSA-N 0 3 344.434 3.230 20 10 EGCDHN C[C@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccccc2)c2c1c(F)ccc2[O-] ZINC000756455597 1300496475 /nfs/dbraw/zinc/49/64/75/1300496475.db2.gz KINBHMGRJQXRRJ-WFASDCNBSA-N 0 3 349.427 3.143 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(CC(F)(F)F)C2)c2c1c(F)ccc2[O-] ZINC000756503799 1300509777 /nfs/dbraw/zinc/50/97/77/1300509777.db2.gz PWBXNOSMMCLJOX-CKYFFXLPSA-N 0 3 332.341 3.306 20 10 EGCDHN C[C@H]([NH2+]CC1(N(C)C)Cc2ccccc2C1)c1cc(F)ccc1[O-] ZINC000756596879 1300529623 /nfs/dbraw/zinc/52/96/23/1300529623.db2.gz IEMWIJQCESOELV-AWEZNQCLSA-N 0 3 328.431 3.281 20 10 EGCDHN C[C@H]1C[C@H]([NH2+]CCc2cccc(C(N)=O)c2)c2c1c(F)ccc2[O-] ZINC000756682478 1300547462 /nfs/dbraw/zinc/54/74/62/1300547462.db2.gz DMTNKCOMGHVEPL-NHYWBVRUSA-N 0 3 328.387 3.011 20 10 EGCDHN C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)C(F)F)cc1)c1ccccc1[O-] ZINC000879647738 1300648074 /nfs/dbraw/zinc/64/80/74/1300648074.db2.gz JRJWGLKOBWIZFE-LLVKDONJSA-N 0 3 341.379 3.239 20 10 EGCDHN C[C@@H]([NH2+][C@@H](C)C(=O)N(C)Cc1cccc(F)c1)c1ccccc1[O-] ZINC000879649365 1300650251 /nfs/dbraw/zinc/65/02/51/1300650251.db2.gz RHKPJCWXLYBIQZ-KGLIPLIRSA-N 0 3 330.403 3.229 20 10 EGCDHN CC(C)S(=O)(=O)CCC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000758714249 1300942938 /nfs/dbraw/zinc/94/29/38/1300942938.db2.gz DFJUUTNEOCUIOS-UHFFFAOYSA-N 0 3 339.501 3.350 20 10 EGCDHN CC(C)S(=O)(=O)CCC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000758714249 1300942942 /nfs/dbraw/zinc/94/29/42/1300942942.db2.gz DFJUUTNEOCUIOS-UHFFFAOYSA-N 0 3 339.501 3.350 20 10 EGCDHN CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000759173055 1301031261 /nfs/dbraw/zinc/03/12/61/1301031261.db2.gz MINNYYARMXUFHL-AZUAARDMSA-N 0 3 327.424 3.343 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2Cc3cccc(O)c3C2)c1[O-] ZINC000763481029 1301912206 /nfs/dbraw/zinc/91/22/06/1301912206.db2.gz PEULCIIAQWPWCK-CQSZACIVSA-N 0 3 348.240 3.426 20 10 EGCDHN CCN(C)c1ccc([C@@H](C)NCc2ccc(OCCOC)nc2)cc1 ZINC000764986752 1302181619 /nfs/dbraw/zinc/18/16/19/1302181619.db2.gz FDEWUCHLHUZKPH-MRXNPFEDSA-N 0 3 343.471 3.414 20 10 EGCDHN CC[C@H](NCc1ccc(OCCOC)nc1)c1ccc(N(C)C)cc1 ZINC000764990163 1302182292 /nfs/dbraw/zinc/18/22/92/1302182292.db2.gz VACMFVAQMVZLOU-IBGZPJMESA-N 0 3 343.471 3.414 20 10 EGCDHN CN1CCN(c2ccc(CNCc3cc(F)c(F)cc3F)cc2)CC1 ZINC000883283477 1302359104 /nfs/dbraw/zinc/35/91/04/1302359104.db2.gz HIMRHGQKNBZJJR-UHFFFAOYSA-N 0 3 349.400 3.146 20 10 EGCDHN Cc1csc([C@H](C)NCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC000883290764 1302370490 /nfs/dbraw/zinc/37/04/90/1302370490.db2.gz GDRXERJFPHLPAX-HNNXBMFYSA-N 0 3 330.501 3.054 20 10 EGCDHN C[C@H]([NH2+]Cc1ccc([O-])c(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000766098021 1302388851 /nfs/dbraw/zinc/38/88/51/1302388851.db2.gz KKFYDPBSCFPHSN-AWEZNQCLSA-N 0 3 330.403 3.219 20 10 EGCDHN C[C@@H](N[C@@H]1CCCN(C)C1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000766436632 1302452226 /nfs/dbraw/zinc/45/22/26/1302452226.db2.gz KRCDERHPABEUPP-RHSMWYFYSA-N 0 3 333.451 3.087 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCCC[C@H]1Cc1ccccc1)[C@H](O)CO2 ZINC000768445249 1302908326 /nfs/dbraw/zinc/90/83/26/1302908326.db2.gz RCMGJWCFPATAJA-FXAWDEMLSA-N 0 3 339.435 3.415 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CCCC[C@H]1Cc1ccccc1)[C@H](O)CO2 ZINC000768445249 1302908333 /nfs/dbraw/zinc/90/83/33/1302908333.db2.gz RCMGJWCFPATAJA-FXAWDEMLSA-N 0 3 339.435 3.415 20 10 EGCDHN CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)C1(CC)CC ZINC000768463460 1302911154 /nfs/dbraw/zinc/91/11/54/1302911154.db2.gz JGSJPLJOAXIQBE-YTQUADARSA-N 0 3 349.471 3.234 20 10 EGCDHN CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)C1(CC)CC ZINC000768463460 1302911161 /nfs/dbraw/zinc/91/11/61/1302911161.db2.gz JGSJPLJOAXIQBE-YTQUADARSA-N 0 3 349.471 3.234 20 10 EGCDHN CN(Cc1ccc(Cl)c(F)c1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768466330 1302912944 /nfs/dbraw/zinc/91/29/44/1302912944.db2.gz ZFXVMBROBMTJII-INIZCTEOSA-N 0 3 337.778 3.243 20 10 EGCDHN C[C@@H]1C[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC[C@H]1c1ccccc1 ZINC000768466461 1302914402 /nfs/dbraw/zinc/91/44/02/1302914402.db2.gz QKHGZTJTLHBBHQ-WIBUTAKZSA-N 0 3 339.435 3.444 20 10 EGCDHN C[C@@H]1C[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC[C@H]1c1ccccc1 ZINC000768466461 1302914409 /nfs/dbraw/zinc/91/44/09/1302914409.db2.gz QKHGZTJTLHBBHQ-WIBUTAKZSA-N 0 3 339.435 3.444 20 10 EGCDHN CCOc1ccc(CN2CCC([C@@](C)(O)C(F)(F)F)CC2)c(O)c1 ZINC000768531349 1302926535 /nfs/dbraw/zinc/92/65/35/1302926535.db2.gz CAQKYXPZGRDTPL-MRXNPFEDSA-N 0 3 347.377 3.316 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](c3c(F)cccc3F)C1)[C@@H](O)CO2 ZINC000768909109 1303010900 /nfs/dbraw/zinc/01/09/00/1303010900.db2.gz GXIRWFOZFLOKKH-GTNSWQLSSA-N 0 3 347.361 3.086 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](c3c(F)cccc3F)C1)[C@@H](O)CO2 ZINC000768909109 1303010907 /nfs/dbraw/zinc/01/09/07/1303010907.db2.gz GXIRWFOZFLOKKH-GTNSWQLSSA-N 0 3 347.361 3.086 20 10 EGCDHN CCN(CC)c1ccc(CN2CCSC[C@@H]2CC(=O)OC)cc1 ZINC000769471521 1303120165 /nfs/dbraw/zinc/12/01/65/1303120165.db2.gz VCIOYFLERGQGIJ-KRWDZBQOSA-N 0 3 336.501 3.013 20 10 EGCDHN CN1CCCC[C@@H]1CC[N@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000769483616 1303123973 /nfs/dbraw/zinc/12/39/73/1303123973.db2.gz QAOFWNQLCRKBLJ-CQSZACIVSA-N 0 3 341.839 3.260 20 10 EGCDHN CN1CCCC[C@@H]1CC[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000769483616 1303123977 /nfs/dbraw/zinc/12/39/77/1303123977.db2.gz QAOFWNQLCRKBLJ-CQSZACIVSA-N 0 3 341.839 3.260 20 10 EGCDHN CCOc1ccc(CN2CCN(C)C[C@@H]2c2ccccc2)c(O)c1 ZINC000771935578 1303463480 /nfs/dbraw/zinc/46/34/80/1303463480.db2.gz YHXOGYPJJBVIHE-LJQANCHMSA-N 0 3 326.440 3.280 20 10 EGCDHN COC(=O)c1cccc(CN(Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000773729288 1303730040 /nfs/dbraw/zinc/73/00/40/1303730040.db2.gz IDLGRFXAUZXOIL-UHFFFAOYSA-N 0 3 341.455 3.345 20 10 EGCDHN C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1ccc(Cl)cn1 ZINC000774482000 1303814880 /nfs/dbraw/zinc/81/48/80/1303814880.db2.gz DIZNYISVKKEKGV-CHWSQXEVSA-N 0 3 346.862 3.479 20 10 EGCDHN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1ccc(Cl)cn1 ZINC000774482003 1303815542 /nfs/dbraw/zinc/81/55/42/1303815542.db2.gz DIZNYISVKKEKGV-QWHCGFSZSA-N 0 3 346.862 3.479 20 10 EGCDHN COc1cccc(C2([NH2+]Cc3ccccc3[O-])CCOCC2)c1F ZINC000775047953 1303894758 /nfs/dbraw/zinc/89/47/58/1303894758.db2.gz PKRIUEHDPQRXQX-UHFFFAOYSA-N 0 3 331.387 3.335 20 10 EGCDHN CCN(C)C(=O)CNCc1ccc(N(CC)Cc2ccccc2)cc1 ZINC000775362207 1303945909 /nfs/dbraw/zinc/94/59/09/1303945909.db2.gz KEMURWIOENEPRO-UHFFFAOYSA-N 0 3 339.483 3.281 20 10 EGCDHN COc1ccc(O)c([C@H](C)N[C@@H](C)C(=O)Nc2ccccc2OC)c1 ZINC000775376026 1303948272 /nfs/dbraw/zinc/94/82/72/1303948272.db2.gz RCWGWXYXPKWNEV-STQMWFEESA-N 0 3 344.411 3.087 20 10 EGCDHN Cc1ccsc1CNC(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775830630 1304045680 /nfs/dbraw/zinc/04/56/80/1304045680.db2.gz LFZAPGAZOQEDIA-CQSZACIVSA-N 0 3 331.485 3.090 20 10 EGCDHN Cc1ccccc1CNC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775834275 1304046455 /nfs/dbraw/zinc/04/64/55/1304046455.db2.gz MTJQVEWEAASDLO-INIZCTEOSA-N 0 3 325.456 3.028 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](CO)CC2CC2)c1[O-] ZINC000779038182 1304521764 /nfs/dbraw/zinc/52/17/64/1304521764.db2.gz JXMLAPVFVSKENT-GXFFZTMASA-N 0 3 328.250 3.275 20 10 EGCDHN CCN(CC)C(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1cc(F)ccc1[O-] ZINC000779052652 1304522729 /nfs/dbraw/zinc/52/27/29/1304522729.db2.gz QWUMCHVATLLHDN-GOSISDBHSA-N 0 3 344.430 3.101 20 10 EGCDHN COc1ccc(N2CCN(CCCc3ccccc3OC)CC2)cc1 ZINC000780285960 1304671894 /nfs/dbraw/zinc/67/18/94/1304671894.db2.gz GBJQFXIEBSANLC-UHFFFAOYSA-N 0 3 340.467 3.459 20 10 EGCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccoc2Cl)N(C)C)cc1 ZINC000891249076 1305000509 /nfs/dbraw/zinc/00/05/09/1305000509.db2.gz PFLFYRQEZIRCFS-HNNXBMFYSA-N 0 3 335.835 3.032 20 10 EGCDHN Cc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])c(N2CCOCC2)c1 ZINC000783521473 1305102327 /nfs/dbraw/zinc/10/23/27/1305102327.db2.gz YSQFQCVYCBSNFU-INIZCTEOSA-N 0 3 326.440 3.388 20 10 EGCDHN C[C@H]([NH2+][C@@H]1CCN2CCCC[C@H]12)c1cc(Br)ccc1[O-] ZINC000783647337 1305122412 /nfs/dbraw/zinc/12/24/12/1305122412.db2.gz JYFSGLPESBFFPR-NILFDRSVSA-N 0 3 339.277 3.432 20 10 EGCDHN CN(C)c1ccc(CN[C@@H]2CCCN(C3CCCCC3)C2=O)cc1 ZINC000785550166 1305377051 /nfs/dbraw/zinc/37/70/51/1305377051.db2.gz XJVIHTOJLBXNON-LJQANCHMSA-N 0 3 329.488 3.166 20 10 EGCDHN CC(C)c1cccc2c1CCN(Cc1cc3c(cc1O)OC[C@H]3O)C2 ZINC000788785032 1306015876 /nfs/dbraw/zinc/01/58/76/1306015876.db2.gz OZTJONABDSQGSK-HXUWFJFHSA-N 0 3 339.435 3.500 20 10 EGCDHN CC(C)c1cccc2c1CC[N@H+](Cc1cc3c(cc1[O-])OC[C@H]3O)C2 ZINC000788785032 1306015890 /nfs/dbraw/zinc/01/58/90/1306015890.db2.gz OZTJONABDSQGSK-HXUWFJFHSA-N 0 3 339.435 3.500 20 10 EGCDHN CC(C)c1cccc2c1CC[N@@H+](Cc1cc3c(cc1[O-])OC[C@H]3O)C2 ZINC000788785032 1306015899 /nfs/dbraw/zinc/01/58/99/1306015899.db2.gz OZTJONABDSQGSK-HXUWFJFHSA-N 0 3 339.435 3.500 20 10 EGCDHN COc1ccc2c(c1)OCC[C@@H]2NCc1cc(C)cc(OC)c1O ZINC000894303785 1306332039 /nfs/dbraw/zinc/33/20/39/1306332039.db2.gz HFXHJZFIBZLZHV-INIZCTEOSA-N 0 3 329.396 3.331 20 10 EGCDHN COc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc(OC)cc2[O-])cc1 ZINC000793389602 1309362103 /nfs/dbraw/zinc/36/21/03/1309362103.db2.gz KGCUPEOHDOEKBH-UHFFFAOYSA-N 0 3 339.395 3.089 20 10 EGCDHN COc1cccc(-c2n[nH]cc2C[NH2+]Cc2ccc(OC)cc2[O-])c1 ZINC000793386342 1309362361 /nfs/dbraw/zinc/36/23/61/1309362361.db2.gz MRRYQDIQODRAAQ-UHFFFAOYSA-N 0 3 339.395 3.089 20 10 EGCDHN Cc1cc([C@@H](C)NCc2ccc(N3CCSCC3)cc2)n(C)n1 ZINC000793520710 1309391763 /nfs/dbraw/zinc/39/17/63/1309391763.db2.gz HXOGJPJBKWHHQP-OAHLLOKOSA-N 0 3 330.501 3.133 20 10 EGCDHN CC[C@H]([NH2+]Cc1cccc(OCC(=O)NC)c1)c1ccc(C)cc1[O-] ZINC000794795730 1309595404 /nfs/dbraw/zinc/59/54/04/1309595404.db2.gz INXFYOYNEPVEGP-SFHVURJKSA-N 0 3 342.439 3.066 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCN2CC=CCC2)c1[O-] ZINC000794837636 1309605535 /nfs/dbraw/zinc/60/55/35/1309605535.db2.gz YESZXRVHFXUYHO-CYBMUJFWSA-N 0 3 339.277 3.376 20 10 EGCDHN COc1cc(Br)cc(C[NH2+][C@H]2CSC[C@H]2C)c1[O-] ZINC000796482515 1310012037 /nfs/dbraw/zinc/01/20/37/1310012037.db2.gz NEOFDMQUELBVMY-KCJUWKMLSA-N 0 3 332.263 3.004 20 10 EGCDHN CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])s1 ZINC000797140988 1310146621 /nfs/dbraw/zinc/14/66/21/1310146621.db2.gz PGJIEAMZVJXPBP-WOPDTQHZSA-N 0 3 348.472 3.120 20 10 EGCDHN O=C1OCCCN1C1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000897591859 1310398452 /nfs/dbraw/zinc/39/84/52/1310398452.db2.gz OSFIGTAQMNDYOM-UHFFFAOYSA-N 0 3 340.423 3.352 20 10 EGCDHN CCSCCC[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000800283959 1310720566 /nfs/dbraw/zinc/72/05/66/1310720566.db2.gz YEXGTSLRCGMHBG-UHFFFAOYSA-N 0 3 334.279 3.396 20 10 EGCDHN Cc1ccc(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)c([O-])c1 ZINC000898448000 1310739569 /nfs/dbraw/zinc/73/95/69/1310739569.db2.gz OCVBCMXRKOTZQX-LJQANCHMSA-N 0 3 327.472 3.159 20 10 EGCDHN CCC(CC)(CCO)[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000800894814 1310829729 /nfs/dbraw/zinc/82/97/29/1310829729.db2.gz MKXHXPLEMYIILJ-UHFFFAOYSA-N 0 3 346.265 3.194 20 10 EGCDHN CN(C)c1ccc([C@H](CNC(=O)N2CCCC23CCC3)N(C)C)cc1 ZINC000899097473 1310932021 /nfs/dbraw/zinc/93/20/21/1310932021.db2.gz AYFZILZAACNDNT-SFHVURJKSA-N 0 3 344.503 3.083 20 10 EGCDHN Cc1cc(C(F)(F)F)nn1CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000903162283 1317665166 /nfs/dbraw/zinc/66/51/66/1317665166.db2.gz CCHWZMWXHCFEPS-GFCCVEGCSA-N 0 3 325.334 3.193 20 10 EGCDHN CCN(C(=O)CN[C@@H](C)c1cccc(OC)c1O)c1ccccc1 ZINC000903194557 1317671329 /nfs/dbraw/zinc/67/13/29/1317671329.db2.gz FBLYSOJZXMXRGC-AWEZNQCLSA-N 0 3 328.412 3.105 20 10 EGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc(-n3cncn3)nc2)c1[O-] ZINC000808676381 1317713802 /nfs/dbraw/zinc/71/38/02/1317713802.db2.gz CBBURYQLODDQHB-GFCCVEGCSA-N 0 3 343.818 3.181 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)c1[O-] ZINC000808707887 1317719302 /nfs/dbraw/zinc/71/93/02/1317719302.db2.gz BRDNKIZXNNUQGP-FDQGKXFDSA-N 0 3 349.858 3.489 20 10 EGCDHN CC[C@H]([NH2+][C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@H]21)c1ccc(C)cc1[O-] ZINC000808722195 1317723162 /nfs/dbraw/zinc/72/31/62/1317723162.db2.gz AIFIGAWDZYEPBK-OQIJWPOYSA-N 0 3 330.472 3.388 20 10 EGCDHN COc1cc(CNCc2ccc(N(C)C)cc2C)cc(OC)c1O ZINC000809618391 1317846705 /nfs/dbraw/zinc/84/67/05/1317846705.db2.gz HRRPLSZYAXGXIR-UHFFFAOYSA-N 0 3 330.428 3.074 20 10 EGCDHN CC(C)OC[C@H](CO)[N@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000809768340 1317895459 /nfs/dbraw/zinc/89/54/59/1317895459.db2.gz IOMWNQJRPPFYPZ-IBGZPJMESA-N 0 3 329.440 3.277 20 10 EGCDHN CC(C)OC[C@H](CO)[N@@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000809768340 1317895465 /nfs/dbraw/zinc/89/54/65/1317895465.db2.gz IOMWNQJRPPFYPZ-IBGZPJMESA-N 0 3 329.440 3.277 20 10 EGCDHN Cc1cc(CNCc2cnc(N(C)C)n2C)c(C)n1-c1ccccc1 ZINC000858294321 1328731302 /nfs/dbraw/zinc/73/13/02/1328731302.db2.gz DXMADBZZVDSORH-UHFFFAOYSA-N 0 3 337.471 3.183 20 10 EGCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@@H]1COCCO1 ZINC000815561407 1319016588 /nfs/dbraw/zinc/01/65/88/1319016588.db2.gz GGVMIMHISVBEIJ-MJGOQNOKSA-N 0 3 327.424 3.071 20 10 EGCDHN CN(C)c1ccc(CN2CCC(CO)(c3ccccc3)CC2)cc1F ZINC000816625285 1319196845 /nfs/dbraw/zinc/19/68/45/1319196845.db2.gz ZPBOUGQDALEURL-UHFFFAOYSA-N 0 3 342.458 3.418 20 10 EGCDHN CC(C)(C)OC(=O)N1CCC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC000817417302 1319355949 /nfs/dbraw/zinc/35/59/49/1319355949.db2.gz JNFSZPBBRBLINQ-UHFFFAOYSA-N 0 3 332.444 3.368 20 10 EGCDHN C[C@@H]([NH2+][C@@H]1CCN[C@H](C)C1)c1cc(Br)c(F)cc1[O-] ZINC000817972201 1319482457 /nfs/dbraw/zinc/48/24/57/1319482457.db2.gz VDHABPBGGRXHBW-OPRDCNLKSA-N 0 3 331.229 3.085 20 10 EGCDHN CC(C)n1cncc1CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000818183331 1319512080 /nfs/dbraw/zinc/51/20/80/1319512080.db2.gz YIZCUQLDBXHKHR-INIZCTEOSA-N 0 3 328.460 3.151 20 10 EGCDHN CCN(CC)c1ccc(CNCc2cccc(S(C)(=O)=O)c2)cc1 ZINC000823671878 1320197027 /nfs/dbraw/zinc/19/70/27/1320197027.db2.gz XBEUYGIMIGZPOR-UHFFFAOYSA-N 0 3 346.496 3.226 20 10 EGCDHN CCN1CC[C@@H]([N@H+](C)Cc2ccc(Br)cc2[O-])C[C@@H]1C ZINC000824855922 1320291582 /nfs/dbraw/zinc/29/15/82/1320291582.db2.gz SAIHTHCMAALNQU-SWLSCSKDSA-N 0 3 341.293 3.459 20 10 EGCDHN CCN1CC[C@@H]([N@@H+](C)Cc2ccc(Br)cc2[O-])C[C@@H]1C ZINC000824855922 1320291586 /nfs/dbraw/zinc/29/15/86/1320291586.db2.gz SAIHTHCMAALNQU-SWLSCSKDSA-N 0 3 341.293 3.459 20 10 EGCDHN COc1cc(Br)cc(C[NH2+]CCC[C@@H]2CCOC2)c1[O-] ZINC000825134087 1320313922 /nfs/dbraw/zinc/31/39/22/1320313922.db2.gz UTNJJAFYTPROAM-LLVKDONJSA-N 0 3 344.249 3.070 20 10 EGCDHN N[C@@H](CC1CCCCC1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000827007867 1320420756 /nfs/dbraw/zinc/42/07/56/1320420756.db2.gz FGBRXYRTENURTG-IBGZPJMESA-N 0 3 329.488 3.201 20 10 EGCDHN [O-]c1c(Cl)cccc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000827011485 1320420934 /nfs/dbraw/zinc/42/09/34/1320420934.db2.gz JNQQDYCMDRWATP-UHFFFAOYSA-N 0 3 345.874 3.442 20 10 EGCDHN CN(C)C(=O)c1ccccc1CN(C)Cc1ccc(N(C)C)cc1 ZINC000841828678 1321320328 /nfs/dbraw/zinc/32/03/28/1321320328.db2.gz YNCOIPJXSPQPDY-UHFFFAOYSA-N 0 3 325.456 3.086 20 10 EGCDHN CC(=O)c1cc(Cl)cc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)c1[O-] ZINC000842472947 1321393238 /nfs/dbraw/zinc/39/32/38/1321393238.db2.gz NLPFMYGVOBOWTA-KRWDZBQOSA-N 0 3 336.863 3.212 20 10 EGCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccc(N2CCNC2=O)cc1 ZINC000842899337 1321447939 /nfs/dbraw/zinc/44/79/39/1321447939.db2.gz DTMANKFVPYDTAS-KBPBESRZSA-N 0 3 325.412 3.334 20 10 EGCDHN CC[C@@H]1CN(Cc2cc(C)cc(Br)c2[O-])CC[C@@H]1[NH3+] ZINC000843051952 1321462244 /nfs/dbraw/zinc/46/22/44/1321462244.db2.gz JDXSOUNFYQQZQU-RISCZKNCSA-N 0 3 327.266 3.022 20 10 EGCDHN CCOc1ccc(C[N@H+](C)C[C@]2(O)CCc3ccccc32)c([O-])c1 ZINC000843422901 1321516773 /nfs/dbraw/zinc/51/67/73/1321516773.db2.gz YIVZYVHLOPROQV-HXUWFJFHSA-N 0 3 327.424 3.057 20 10 EGCDHN CCOc1ccc(C[N@@H+](C)C[C@]2(O)CCc3ccccc32)c([O-])c1 ZINC000843422901 1321516775 /nfs/dbraw/zinc/51/67/75/1321516775.db2.gz YIVZYVHLOPROQV-HXUWFJFHSA-N 0 3 327.424 3.057 20 10 EGCDHN COc1ccc(O)c([C@@H](C)NCc2cc(F)c(OC)cc2OC)c1 ZINC000845970682 1321760124 /nfs/dbraw/zinc/76/01/24/1321760124.db2.gz BQOASUPLTGWKKR-LLVKDONJSA-N 0 3 335.375 3.408 20 10 EGCDHN CC(=O)c1ccccc1NC(=O)CCC[N@@H+](C)Cc1ccccc1[O-] ZINC000846824316 1321813175 /nfs/dbraw/zinc/81/31/75/1321813175.db2.gz MCTRJWDBIOHKSK-UHFFFAOYSA-N 0 3 340.423 3.446 20 10 EGCDHN CC(=O)c1ccccc1NC(=O)CCC[N@H+](C)Cc1ccccc1[O-] ZINC000846824316 1321813179 /nfs/dbraw/zinc/81/31/79/1321813179.db2.gz MCTRJWDBIOHKSK-UHFFFAOYSA-N 0 3 340.423 3.446 20 10 EGCDHN CCc1cccc(CNCc2ccc(S(=O)(=O)CC)s2)c1O ZINC000848908225 1322041499 /nfs/dbraw/zinc/04/14/99/1322041499.db2.gz OZHSGZCDFXDUCV-UHFFFAOYSA-N 0 3 339.482 3.100 20 10 EGCDHN COc1cc(Cl)cc(CNc2ccc([C@@H]3CNCCO3)cc2)c1O ZINC000849351597 1322116523 /nfs/dbraw/zinc/11/65/23/1322116523.db2.gz ANICJIZAVPOEKY-KRWDZBQOSA-N 0 3 348.830 3.327 20 10 EGCDHN COc1cc(CN[C@@H]2c3ccccc3C[C@@H]2O)c(O)c(C(C)(C)C)c1 ZINC000850073978 1322190288 /nfs/dbraw/zinc/19/02/88/1322190288.db2.gz SGKCZTXIDTVKSK-RBUKOAKNSA-N 0 3 341.451 3.446 20 10 EGCDHN COc1ccc(C)cc1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000850406186 1322240025 /nfs/dbraw/zinc/24/00/25/1322240025.db2.gz WDHRXWMJNAFBFU-UHFFFAOYSA-N 0 3 340.467 3.255 20 10 EGCDHN OC1CCN(c2ccc(CNCc3cnc(C4CC4)s3)cc2)CC1 ZINC000850405731 1322241102 /nfs/dbraw/zinc/24/11/02/1322241102.db2.gz BDYSNFXIGRMCRG-UHFFFAOYSA-N 0 3 343.496 3.271 20 10 EGCDHN C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1cccc(O)c1 ZINC000850566399 1322269734 /nfs/dbraw/zinc/26/97/34/1322269734.db2.gz NEHUXRVXXJJNNX-HNNXBMFYSA-N 0 3 326.440 3.204 20 10 EGCDHN Fc1cc(CN2CCCC(F)(F)CC2)ccc1N1CCOCC1 ZINC000862467612 1329488836 /nfs/dbraw/zinc/48/88/36/1329488836.db2.gz ZBLFUHIWYNMTOG-UHFFFAOYSA-N 0 3 328.378 3.284 20 10 EGCDHN CCOc1ccc(O)c(CN(C)C[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000862540705 1329494475 /nfs/dbraw/zinc/49/44/75/1329494475.db2.gz KIMJJHVFRHFHIO-CYBMUJFWSA-N 0 3 338.448 3.136 20 10 EGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](n2cncn2)C(F)(F)F)c1[O-] ZINC000866435676 1330111958 /nfs/dbraw/zinc/11/19/58/1330111958.db2.gz CTURSHOYAGCMIT-BXKDBHETSA-N 0 3 348.756 3.400 20 10 EGCDHN CCCCCCNC(=O)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001191999428 1367661542 /nfs/dbraw/zinc/66/15/42/1367661542.db2.gz CIHNVLDDAVMKHN-UHFFFAOYSA-N 0 3 333.476 3.236 20 10 EGCDHN CCCCCCNC(=S)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001200961314 1369458011 /nfs/dbraw/zinc/45/80/11/1369458011.db2.gz SYZSMPYWZXANOO-UHFFFAOYSA-N 0 3 349.544 3.401 20 10 EGCDHN CC(C)(C)OC(=O)N1CCCC2(CN(Cc3ccccc3O)C2)C1 ZINC001203550562 1370165750 /nfs/dbraw/zinc/16/57/50/1370165750.db2.gz ZTHWTNFBSZWQOC-UHFFFAOYSA-N 0 3 332.444 3.225 20 10 EGCDHN COc1ccc(C[N@@H+]2CCC[C@H](Oc3ccccc3OC)C2)c([O-])c1 ZINC001203630979 1370193860 /nfs/dbraw/zinc/19/38/60/1370193860.db2.gz YILRJHNXVXFDSC-KRWDZBQOSA-N 0 3 343.423 3.453 20 10 EGCDHN COc1ccc(C[N@H+]2CCC[C@H](Oc3ccccc3OC)C2)c([O-])c1 ZINC001203630979 1370193863 /nfs/dbraw/zinc/19/38/63/1370193863.db2.gz YILRJHNXVXFDSC-KRWDZBQOSA-N 0 3 343.423 3.453 20 10 EGCDHN CCOC[C@@H]1COCCC12CC[NH+](Cc1ccc(OC)cc1[O-])CC2 ZINC001203631078 1370194156 /nfs/dbraw/zinc/19/41/56/1370194156.db2.gz ZCTFRDKQDJUEHR-QGZVFWFLSA-N 0 3 349.471 3.056 20 10 EGCDHN CN(C)c1ccc(CN2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)cc1 ZINC001203931711 1370319186 /nfs/dbraw/zinc/31/91/86/1370319186.db2.gz UESBREDDPPNVEL-FUHWJXTLSA-N 0 3 345.487 3.194 20 10 EGCDHN COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(O)cc2[O-])cc1OC ZINC001204274471 1370429046 /nfs/dbraw/zinc/42/90/46/1370429046.db2.gz BTECDGZZDLAUNE-INIZCTEOSA-N 0 3 329.396 3.452 20 10 EGCDHN COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(O)cc2[O-])cc1OC ZINC001204274471 1370429050 /nfs/dbraw/zinc/42/90/50/1370429050.db2.gz BTECDGZZDLAUNE-INIZCTEOSA-N 0 3 329.396 3.452 20 10 EGCDHN [O-]c1cc(O)ccc1C[N@@H+]1CCc2ncnc(-c3ccccc3)c2CC1 ZINC001204274613 1370429060 /nfs/dbraw/zinc/42/90/60/1370429060.db2.gz QPRZNAOCRPFSGT-UHFFFAOYSA-N 0 3 347.418 3.156 20 10 EGCDHN [O-]c1cc(O)ccc1C[N@H+]1CCc2ncnc(-c3ccccc3)c2CC1 ZINC001204274613 1370429063 /nfs/dbraw/zinc/42/90/63/1370429063.db2.gz QPRZNAOCRPFSGT-UHFFFAOYSA-N 0 3 347.418 3.156 20 10 EGCDHN C/C(=C\C(=O)N(CCN1CCCC1)c1ccccc1)c1cnccn1 ZINC001117751759 1371074938 /nfs/dbraw/zinc/07/49/38/1371074938.db2.gz ANAZVRGTJXRPMZ-BMRADRMJSA-N 0 3 336.439 3.009 20 10 EGCDHN [O-]c1c(C[NH+]2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)ccc(F)c1F ZINC001233076981 1376563338 /nfs/dbraw/zinc/56/33/38/1376563338.db2.gz BHIVZXHVEBHAGC-IAGOWNOFSA-N 0 3 344.405 3.234 20 10 EGCDHN CCCC[C@@H]1CN(Cc2c([O-])cccc2Br)CC[NH2+]1 ZINC001236139641 1376935890 /nfs/dbraw/zinc/93/58/90/1376935890.db2.gz YXXICFIWRDMOBU-GFCCVEGCSA-N 0 3 327.266 3.119 20 10 EGCDHN Oc1c(CN2CCNC[C@H]2C(F)(F)F)cccc1-c1ccccc1 ZINC001236980072 1376967591 /nfs/dbraw/zinc/96/75/91/1376967591.db2.gz HQPGAKKMZCQYPN-INIZCTEOSA-N 0 3 336.357 3.395 20 10 EGCDHN Oc1c(CN2CCNC[C@@H]2C(F)(F)F)cccc1-c1ccccc1 ZINC001236980074 1376968643 /nfs/dbraw/zinc/96/86/43/1376968643.db2.gz HQPGAKKMZCQYPN-MRXNPFEDSA-N 0 3 336.357 3.395 20 10 EGCDHN COC1(C)CC[NH+](Cc2cc(Br)c(C)cc2[O-])CC1 ZINC001237676454 1376982877 /nfs/dbraw/zinc/98/28/77/1376982877.db2.gz IGHGRDCFWVBZPQ-UHFFFAOYSA-N 0 3 328.250 3.464 20 10 EGCDHN Cc1cc(CN2CCC[C@@]3(CCNC3=O)C2)c(C)n1-c1ccccc1 ZINC001137855812 1377632122 /nfs/dbraw/zinc/63/21/22/1377632122.db2.gz GMFCGKKIKWCVRV-OAQYLSRUSA-N 0 3 337.467 3.196 20 10 EGCDHN CC(=O)N[C@@H]1CCCN(Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001137858051 1377632511 /nfs/dbraw/zinc/63/25/11/1377632511.db2.gz UUTBHYPEMAUPTH-LJQANCHMSA-N 0 3 325.456 3.195 20 10 EGCDHN CCOC(=O)[C@@H]1CCCN(Cc2ccc(N(CC)CC)cc2OC)C1 ZINC001138389278 1377714264 /nfs/dbraw/zinc/71/42/64/1377714264.db2.gz IBQVMZLFRFTQTG-QGZVFWFLSA-N 0 3 348.487 3.317 20 10 EGCDHN CCN(CC)c1ccc(CN2C[C@@H](C)C[C@H](C(=O)OC)C2)c(OC)c1 ZINC001138390190 1377714595 /nfs/dbraw/zinc/71/45/95/1377714595.db2.gz OXAFSVZDWCHEKN-RDJZCZTQSA-N 0 3 348.487 3.172 20 10 EGCDHN Cc1cc(CN2CC[C@H](N3Cc4ccccc4C3=O)C2)ccc1N(C)C ZINC001139673334 1377931692 /nfs/dbraw/zinc/93/16/92/1377931692.db2.gz ADDOWJHQDRCMBF-IBGZPJMESA-N 0 3 349.478 3.291 20 10 EGCDHN CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cc(F)ccc2[O-])O1 ZINC001140054410 1377996940 /nfs/dbraw/zinc/99/69/40/1377996940.db2.gz PRNXGSZSUAPGKQ-ZHALLVOQSA-N 0 3 337.435 3.326 20 10 EGCDHN CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cc(F)ccc2[O-])O1 ZINC001140054410 1377996945 /nfs/dbraw/zinc/99/69/45/1377996945.db2.gz PRNXGSZSUAPGKQ-ZHALLVOQSA-N 0 3 337.435 3.326 20 10 EGCDHN [O-]c1cc(Cl)ccc1C[N@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001140467505 1378068988 /nfs/dbraw/zinc/06/89/88/1378068988.db2.gz RTUMPGKSWFBWEK-IYBDPMFKSA-N 0 3 343.858 3.004 20 10 EGCDHN [O-]c1cc(Cl)ccc1C[N@@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001140467505 1378068990 /nfs/dbraw/zinc/06/89/90/1378068990.db2.gz RTUMPGKSWFBWEK-IYBDPMFKSA-N 0 3 343.858 3.004 20 10 EGCDHN CO[C@@H](CN1CCN(Cc2ccc(C)cc2O)CC1)c1ccccc1 ZINC001140957488 1378192927 /nfs/dbraw/zinc/19/29/27/1378192927.db2.gz BFFYUGOHFPSIFD-NRFANRHFSA-N 0 3 340.467 3.206 20 10 EGCDHN COc1cc([O-])c(C[N@H+](C)CCc2ccccc2OC)c(OC)c1 ZINC001141028578 1378211895 /nfs/dbraw/zinc/21/18/95/1378211895.db2.gz VNNGKODUFKWFCL-UHFFFAOYSA-N 0 3 331.412 3.093 20 10 EGCDHN COc1cc([O-])c(C[N@@H+](C)CCc2ccccc2OC)c(OC)c1 ZINC001141028578 1378211900 /nfs/dbraw/zinc/21/19/00/1378211900.db2.gz VNNGKODUFKWFCL-UHFFFAOYSA-N 0 3 331.412 3.093 20 10 EGCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](c3ccccc3OC)C2)c(OC)c1 ZINC001141031574 1378214416 /nfs/dbraw/zinc/21/44/16/1378214416.db2.gz IBYKMNCHVAUSRR-CQSZACIVSA-N 0 3 343.423 3.408 20 10 EGCDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](c3ccccc3OC)C2)c(OC)c1 ZINC001141031574 1378214422 /nfs/dbraw/zinc/21/44/22/1378214422.db2.gz IBYKMNCHVAUSRR-CQSZACIVSA-N 0 3 343.423 3.408 20 10 EGCDHN CCOCCN(CCOCC)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141075894 1378232707 /nfs/dbraw/zinc/23/27/07/1378232707.db2.gz FOZRKMBKOYNINS-UHFFFAOYSA-N 0 3 346.515 3.260 20 10 EGCDHN CCN(Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCCN2C ZINC001141146620 1378250036 /nfs/dbraw/zinc/25/00/36/1378250036.db2.gz ZVWTXXTUCSTBND-UHFFFAOYSA-N 0 3 340.423 3.266 20 10 EGCDHN CCCc1cc(NCc2ccc(N3CCN(C)CC3)cc2)nc(C)n1 ZINC001156657252 1380606004 /nfs/dbraw/zinc/60/60/04/1380606004.db2.gz JRSMSFFFVPXGGC-UHFFFAOYSA-N 0 3 339.487 3.101 20 10 EGCDHN COc1cccc(N2CCN(Cc3c(C)cc(OC)cc3O)CC2)c1 ZINC001180523319 1386824849 /nfs/dbraw/zinc/82/48/49/1386824849.db2.gz SKKIFTBZNNZGKG-UHFFFAOYSA-N 0 3 342.439 3.040 20 10 EGCDHN C[N@@H+](Cc1ccc(OCc2ccccc2)cc1[O-])C[C@@H]1CCOC1 ZINC000183114777 455232372 /nfs/dbraw/zinc/23/23/72/455232372.db2.gz JIVZXRUVDPJMGR-KRWDZBQOSA-N 0 3 327.424 3.440 20 10 EGCDHN C[N@H+](Cc1ccc(OCc2ccccc2)cc1[O-])C[C@@H]1CCOC1 ZINC000183114777 455232377 /nfs/dbraw/zinc/23/23/77/455232377.db2.gz JIVZXRUVDPJMGR-KRWDZBQOSA-N 0 3 327.424 3.440 20 10 EGCDHN O=C(C[N@@H+](Cc1ccccc1[O-])C1CCCC1)NCc1ccco1 ZINC000069659637 454129848 /nfs/dbraw/zinc/12/98/48/454129848.db2.gz XEQIMFCHXAAAFD-UHFFFAOYSA-N 0 3 328.412 3.046 20 10 EGCDHN O=C(C[N@H+](Cc1ccccc1[O-])C1CCCC1)NCc1ccco1 ZINC000069659637 454129852 /nfs/dbraw/zinc/12/98/52/454129852.db2.gz XEQIMFCHXAAAFD-UHFFFAOYSA-N 0 3 328.412 3.046 20 10 EGCDHN COc1cc(O)c(CN(C)CCOCc2ccccc2)cc1OC ZINC000160391355 455453590 /nfs/dbraw/zinc/45/35/90/455453590.db2.gz UBNZTYHYRZNNSS-UHFFFAOYSA-N 0 3 331.412 3.058 20 10 EGCDHN CCCOc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)CCC)C2)c([O-])c1 ZINC000092707876 454615876 /nfs/dbraw/zinc/61/58/76/454615876.db2.gz NZMQGKZHPLVRAU-INIZCTEOSA-N 0 3 348.487 3.309 20 10 EGCDHN CCCOc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)CCC)C2)c([O-])c1 ZINC000092707876 454615881 /nfs/dbraw/zinc/61/58/81/454615881.db2.gz NZMQGKZHPLVRAU-INIZCTEOSA-N 0 3 348.487 3.309 20 10 EGCDHN COc1cccc([C@@H](C[NH2+][C@@H](C)c2cc(F)ccc2[O-])N(C)C)c1 ZINC000176980354 454807142 /nfs/dbraw/zinc/80/71/42/454807142.db2.gz ZCGULYVWPAOIKV-SCLBCKFNSA-N 0 3 332.419 3.493 20 10 EGCDHN CC[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)c1ccccc1[O-] ZINC000155593380 455020312 /nfs/dbraw/zinc/02/03/12/455020312.db2.gz ZJGGGCQDLPAYNF-MRXNPFEDSA-N 0 3 328.460 3.384 20 10 EGCDHN Cc1ccc(NC(=O)C2CC[NH+](Cc3cccc(C)c3[O-])CC2)nc1 ZINC000179729548 455070697 /nfs/dbraw/zinc/07/06/97/455070697.db2.gz HWMJPRVHAAKLDJ-UHFFFAOYSA-N 0 3 339.439 3.255 20 10 EGCDHN COc1cccc(CNCc2cccc(OC)c2OC(F)F)c1O ZINC000264834462 455289841 /nfs/dbraw/zinc/28/98/41/455289841.db2.gz HAGIQQNIHDRZLT-UHFFFAOYSA-N 0 3 339.338 3.301 20 10 EGCDHN CC[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)c1ccccc1[O-] ZINC000183331685 455278504 /nfs/dbraw/zinc/27/85/04/455278504.db2.gz ZOGJTFOXGRGVSR-JKSUJKDBSA-N 0 3 328.387 3.378 20 10 EGCDHN COc1cc(O)c(CN2CC[C@@]3(C2)OCc2ccccc23)cc1OC ZINC000184813731 455452632 /nfs/dbraw/zinc/45/26/32/455452632.db2.gz RAVXBPJBOYAIEE-FQEVSTJZSA-N 0 3 341.407 3.041 20 10 EGCDHN COc1ccc(COCC[NH2+][C@@H](C)c2cc(OC)ccc2[O-])cc1 ZINC000182346721 455493991 /nfs/dbraw/zinc/49/39/91/455493991.db2.gz PTDONWWUGVQMNN-AWEZNQCLSA-N 0 3 331.412 3.277 20 10 EGCDHN COc1ccc(OC)c(CC[NH2+][C@@H](C)c2cc(OC)ccc2[O-])c1 ZINC000185186573 455517578 /nfs/dbraw/zinc/51/75/78/455517578.db2.gz NQPNCCRXZHZKFS-ZDUSSCGKSA-N 0 3 331.412 3.311 20 10 EGCDHN Cc1cccc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)c1[O-] ZINC000192027374 455544138 /nfs/dbraw/zinc/54/41/38/455544138.db2.gz PCKXPAJXASWHJF-HXUWFJFHSA-N 0 3 340.467 3.081 20 10 EGCDHN COC(=O)COc1cccc(C[NH2+][C@@H](C)c2cc(C)ccc2[O-])c1 ZINC000186049512 455684562 /nfs/dbraw/zinc/68/45/62/455684562.db2.gz QUEIYVLQPXNIPJ-AWEZNQCLSA-N 0 3 329.396 3.103 20 10 EGCDHN CC[C@H]([NH2+]CCCN1C(=O)c2ccccc2C1=O)c1ccccc1[O-] ZINC000271753210 455746486 /nfs/dbraw/zinc/74/64/86/455746486.db2.gz XZKSWZOWNLHSON-KRWDZBQOSA-N 0 3 338.407 3.119 20 10 EGCDHN Cc1cc(C)c([C@@H](C)[NH2+]CCNC(=O)c2ccccc2F)c([O-])c1 ZINC000285011388 455777260 /nfs/dbraw/zinc/77/72/60/455777260.db2.gz HCULTHWMIVNROZ-CQSZACIVSA-N 0 3 330.403 3.229 20 10 EGCDHN c1cc(N2CCCCC2)ccc1CN1CCC2(CC1)OCCCO2 ZINC000293753850 455795923 /nfs/dbraw/zinc/79/59/23/455795923.db2.gz XAMGCUDZZADTEY-UHFFFAOYSA-N 0 3 330.472 3.406 20 10 EGCDHN COc1ccc([O-])c(C[NH2+]C2(Cc3cccc(F)c3)CCOCC2)c1 ZINC000293710735 455796376 /nfs/dbraw/zinc/79/63/76/455796376.db2.gz SKVIJNWHQROYCK-UHFFFAOYSA-N 0 3 345.414 3.421 20 10 EGCDHN CN(Cc1cccs1)c1ccc(CNCCNC(=O)C2CC2)cc1 ZINC000294685501 455824042 /nfs/dbraw/zinc/82/40/42/455824042.db2.gz FOVYOPYJQBLEBB-UHFFFAOYSA-N 0 3 343.496 3.000 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1 ZINC000294772714 455827359 /nfs/dbraw/zinc/82/73/59/455827359.db2.gz KGYBOFVXKSYBKC-KGLIPLIRSA-N 0 3 334.460 3.075 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[N@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1 ZINC000294772714 455827362 /nfs/dbraw/zinc/82/73/62/455827362.db2.gz KGYBOFVXKSYBKC-KGLIPLIRSA-N 0 3 334.460 3.075 20 10 EGCDHN COC[C@H](O)CC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000294789931 455827578 /nfs/dbraw/zinc/82/75/78/455827578.db2.gz OFLDTFORBRXWNC-IEBWSBKVSA-N 0 3 329.440 3.053 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ccnn3C)C2)c([O-])c1C ZINC000278441222 455836767 /nfs/dbraw/zinc/83/67/67/455836767.db2.gz KIZBWZTTYQBYAG-JKSUJKDBSA-N 0 3 328.460 3.062 20 10 EGCDHN CCn1cc([C@H](C)NCc2ccc(N3CCC(OC)CC3)cc2)cn1 ZINC000295933745 455863756 /nfs/dbraw/zinc/86/37/56/455863756.db2.gz GCPFYSFTFNNZLN-INIZCTEOSA-N 0 3 342.487 3.369 20 10 EGCDHN [O-]c1cccc2c1[C@H]([NH2+]Cc1cccc(CN3CCOCC3)c1)CC2 ZINC000296189337 455875571 /nfs/dbraw/zinc/87/55/71/455875571.db2.gz YLQJRVPOAAOJJZ-LJQANCHMSA-N 0 3 338.451 3.002 20 10 EGCDHN CCOC(=O)c1cnn(C2CC[NH+]([C@@H](C)c3ccccc3[O-])CC2)c1 ZINC000296628848 455994080 /nfs/dbraw/zinc/99/40/80/455994080.db2.gz XHRPCCGMULHECC-AWEZNQCLSA-N 0 3 343.427 3.164 20 10 EGCDHN COc1cccc(C[NH2+][C@H](C)CCc2ccc3c(c2)OCO3)c1[O-] ZINC000289393716 456123740 /nfs/dbraw/zinc/12/37/40/456123740.db2.gz FIAHQRNRYBFSBK-CYBMUJFWSA-N 0 3 329.396 3.240 20 10 EGCDHN CCOCc1cc(CNCc2cccc(OC)c2O)ccc1OC ZINC000289437775 456126304 /nfs/dbraw/zinc/12/63/04/456126304.db2.gz LQEIRUUJHSZUDE-UHFFFAOYSA-N 0 3 331.412 3.236 20 10 EGCDHN Cn1cc(N2CC[NH+](Cc3cc(-c4ccccc4)ccc3[O-])CC2)cn1 ZINC000271192957 456164835 /nfs/dbraw/zinc/16/48/35/456164835.db2.gz QCNVLRLBZKKNQE-UHFFFAOYSA-N 0 3 348.450 3.115 20 10 EGCDHN COC[C@]1(C[NH2+][C@@H]2CCc3cccc([O-])c32)OCCc2ccccc21 ZINC000297419335 456216736 /nfs/dbraw/zinc/21/67/36/456216736.db2.gz UNWUFARYYKICTI-NQIIRXRSSA-N 0 3 339.435 3.084 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]CC2(N3CCCC3)CCOCC2)c([O-])c1C ZINC000273461034 456232061 /nfs/dbraw/zinc/23/20/61/456232061.db2.gz CSWDAIYNMQHHJM-KRWDZBQOSA-N 0 3 332.488 3.305 20 10 EGCDHN CCCCN1CCC([NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])CC1 ZINC000273594159 456240785 /nfs/dbraw/zinc/24/07/85/456240785.db2.gz QBIPYVDTYPDZGS-AWEZNQCLSA-N 0 3 334.460 3.094 20 10 EGCDHN Cn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000275367192 456273354 /nfs/dbraw/zinc/27/33/54/456273354.db2.gz BSRAPIHWSJGQRK-ICSRJNTNSA-N 0 3 349.434 3.413 20 10 EGCDHN CC(C)(C)OC(=O)N1CCC([NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000297967671 456333856 /nfs/dbraw/zinc/33/38/56/456333856.db2.gz ZPMXKZANSIFOPC-HNNXBMFYSA-N 0 3 332.444 3.369 20 10 EGCDHN COc1ccc(CC[NH2+][C@@H]2CCc3cccc([O-])c32)c(OC)c1OC ZINC000297970206 456335432 /nfs/dbraw/zinc/33/54/32/456335432.db2.gz ZTUFKRXKSDJUQB-OAHLLOKOSA-N 0 3 343.423 3.238 20 10 EGCDHN COCCO[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000276082756 456385017 /nfs/dbraw/zinc/38/50/17/456385017.db2.gz XGUYEWZJBNLXAU-LJQANCHMSA-N 0 3 327.424 3.297 20 10 EGCDHN COCCO[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000276082756 456385026 /nfs/dbraw/zinc/38/50/26/456385026.db2.gz XGUYEWZJBNLXAU-LJQANCHMSA-N 0 3 327.424 3.297 20 10 EGCDHN Cc1cnn([C@@H]2CC[N@H+](Cc3cc(Br)ccc3[O-])C2)c1 ZINC000290868976 456452534 /nfs/dbraw/zinc/45/25/34/456452534.db2.gz KCOCSXXKABSHKE-CQSZACIVSA-N 0 3 336.233 3.107 20 10 EGCDHN Cc1cnn([C@@H]2CC[N@@H+](Cc3cc(Br)ccc3[O-])C2)c1 ZINC000290868976 456452538 /nfs/dbraw/zinc/45/25/38/456452538.db2.gz KCOCSXXKABSHKE-CQSZACIVSA-N 0 3 336.233 3.107 20 10 EGCDHN C[C@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccc(N2CCCNC2=O)cc1 ZINC000291029318 456502223 /nfs/dbraw/zinc/50/22/23/456502223.db2.gz DUILYRWDWVITPB-ZDUSSCGKSA-N 0 3 343.402 3.302 20 10 EGCDHN CN(C)c1ccc(CN(C[C@H]2CC3(CCC3)C(=O)O2)C2CC2)cc1 ZINC000276840504 456596788 /nfs/dbraw/zinc/59/67/88/456596788.db2.gz SPTSHHZSGMCLCA-GOSISDBHSA-N 0 3 328.456 3.203 20 10 EGCDHN COc1ccc(O)c([C@@H](C)N[C@@H]2CCCN(C3CCCCC3)C2=O)c1 ZINC000276925964 456621261 /nfs/dbraw/zinc/62/12/61/456621261.db2.gz NIKUEQFRFDCGSC-RDTXWAMCSA-N 0 3 346.471 3.375 20 10 EGCDHN COc1ccc(O)c([C@@H](C)N[C@H]2CCCN(C3CCCCC3)C2=O)c1 ZINC000276925958 456621630 /nfs/dbraw/zinc/62/16/30/456621630.db2.gz NIKUEQFRFDCGSC-KDOFPFPSSA-N 0 3 346.471 3.375 20 10 EGCDHN O=C(NCc1ccccc1O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000299481762 456706062 /nfs/dbraw/zinc/70/60/62/456706062.db2.gz HEVWCEQZOZTVFC-HNNXBMFYSA-N 0 3 345.468 3.090 20 10 EGCDHN O=C(NCc1ccccc1O)NC[C@H](c1cccs1)N1CCCC1 ZINC000299481763 456706267 /nfs/dbraw/zinc/70/62/67/456706267.db2.gz HEVWCEQZOZTVFC-OAHLLOKOSA-N 0 3 345.468 3.090 20 10 EGCDHN CC(C)c1nc(C2CCN(Cc3cc4c(cc3O)OCO4)CC2)no1 ZINC000299589734 456736741 /nfs/dbraw/zinc/73/67/41/456736741.db2.gz DEGDGHDKFWGPCP-UHFFFAOYSA-N 0 3 345.399 3.007 20 10 EGCDHN COc1ccc([O-])c(C[N@@H+]2CCCC[C@@H]2[C@H](O)c2ccccc2)c1 ZINC000378436702 457395339 /nfs/dbraw/zinc/39/53/39/457395339.db2.gz CWUWPDFZORJPJJ-UYAOXDASSA-N 0 3 327.424 3.489 20 10 EGCDHN COc1ccc([O-])c(C[N@H+]2CCCC[C@@H]2[C@H](O)c2ccccc2)c1 ZINC000378436702 457395343 /nfs/dbraw/zinc/39/53/43/457395343.db2.gz CWUWPDFZORJPJJ-UYAOXDASSA-N 0 3 327.424 3.489 20 10 EGCDHN CN1CCC[C@@H](CNC(=O)Cc2ccc(N)cc2)[C@H]1c1cccs1 ZINC000372105434 458196672 /nfs/dbraw/zinc/19/66/72/458196672.db2.gz LTOGDPFAHOUYBF-KXBFYZLASA-N 0 3 343.496 3.072 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ncccc3F)C2)c([O-])c1C ZINC000373255323 458443611 /nfs/dbraw/zinc/44/36/11/458443611.db2.gz KCCUSRZXBJKGGU-LSDHHAIUSA-N 0 3 329.419 3.473 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000373322341 458461006 /nfs/dbraw/zinc/46/10/06/458461006.db2.gz VCYXFFWQUHMMDU-NRFANRHFSA-N 0 3 339.435 3.318 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000373322341 458461012 /nfs/dbraw/zinc/46/10/12/458461012.db2.gz VCYXFFWQUHMMDU-NRFANRHFSA-N 0 3 339.435 3.318 20 10 EGCDHN Cc1c2ccccc2n(C)c1CNCCC(=O)Nc1ccc(C)cn1 ZINC000515833791 458813117 /nfs/dbraw/zinc/81/31/17/458813117.db2.gz TXAHIBILJXYPQN-UHFFFAOYSA-N 0 3 336.439 3.309 20 10 EGCDHN COc1ccc([C@@H](NCc2cc(OC)c(OC)cc2O)C2CC2)cn1 ZINC000529688831 459835294 /nfs/dbraw/zinc/83/52/94/459835294.db2.gz LKUNYUASGYHFGT-IBGZPJMESA-N 0 3 344.411 3.054 20 10 EGCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@@H]2C(C)(C)C)cc1 ZINC000729543008 574870441 /nfs/dbraw/zinc/87/04/41/574870441.db2.gz ALGXZNDOUAVKFL-GOSISDBHSA-N 0 3 331.504 3.222 20 10 EGCDHN O=C(CNCc1ccc(N2CCCCC2)cc1)N1CCc2ccccc21 ZINC000729684689 574879007 /nfs/dbraw/zinc/87/90/07/574879007.db2.gz CNPRNNRDPOORMZ-UHFFFAOYSA-N 0 3 349.478 3.356 20 10 EGCDHN C[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])[C@H](C)N1CCOCC1 ZINC000729686828 574880105 /nfs/dbraw/zinc/88/01/05/574880105.db2.gz IUTWNTJNSQAWOG-IRXDYDNUSA-N 0 3 340.467 3.258 20 10 EGCDHN Cc1cc(C(=O)NC[C@@H]2CCCN(C)C2)c(C)n1-c1cccc(C)c1 ZINC000731025982 575045521 /nfs/dbraw/zinc/04/55/21/575045521.db2.gz SVQXXUIARZFXPD-SFHVURJKSA-N 0 3 339.483 3.474 20 10 EGCDHN Cc1cc(C(=O)NC[C@H]2CCCN(C)C2)c(C)n1-c1ccccc1C ZINC000731026109 575045623 /nfs/dbraw/zinc/04/56/23/575045623.db2.gz YVVCABWKGUBFQA-GOSISDBHSA-N 0 3 339.483 3.474 20 10 EGCDHN CCCCNC(=O)C1CCN(Cc2ccc(N(C)CC)cc2)CC1 ZINC000741754621 575347189 /nfs/dbraw/zinc/34/71/89/575347189.db2.gz TVBHELLUMMXSED-UHFFFAOYSA-N 0 3 331.504 3.271 20 10 EGCDHN CCN(C)c1ccc(CN2CCC(C(=O)N(C)C(C)C)CC2)cc1 ZINC000741754289 576717548 /nfs/dbraw/zinc/71/75/48/576717548.db2.gz NCLQZNFITOIEPM-UHFFFAOYSA-N 0 3 331.504 3.222 20 10 EGCDHN CC[C@H](C[C@H](C)CO)[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000743498748 576810529 /nfs/dbraw/zinc/81/05/29/576810529.db2.gz FGULZCNYDVRVOV-GXFFZTMASA-N 0 3 346.265 3.050 20 10 EGCDHN COc1ccc(N2CCCN(Cc3ccccc3N(C)C)CC2)cc1 ZINC000743843578 576816643 /nfs/dbraw/zinc/81/66/43/576816643.db2.gz YSOJKYNFRGOLOU-UHFFFAOYSA-N 0 3 339.483 3.474 20 10 EGCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000743869822 576817968 /nfs/dbraw/zinc/81/79/68/576817968.db2.gz BOMIFILKAYPNNU-YESZJQIVSA-N 0 3 332.488 3.497 20 10 EGCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000743869822 576817969 /nfs/dbraw/zinc/81/79/69/576817969.db2.gz BOMIFILKAYPNNU-YESZJQIVSA-N 0 3 332.488 3.497 20 10 EGCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000743869819 576817974 /nfs/dbraw/zinc/81/79/74/576817974.db2.gz BOMIFILKAYPNNU-BBWFWOEESA-N 0 3 332.488 3.497 20 10 EGCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000743869819 576817975 /nfs/dbraw/zinc/81/79/75/576817975.db2.gz BOMIFILKAYPNNU-BBWFWOEESA-N 0 3 332.488 3.497 20 10 EGCDHN CO[C@@H](CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(C)C ZINC000744448724 576828736 /nfs/dbraw/zinc/82/87/36/576828736.db2.gz NLJPWGBJVPAWDI-SFHVURJKSA-N 0 3 335.448 3.346 20 10 EGCDHN CCC[N@H+](Cc1cc(C)cc(Br)c1[O-])C1CCNCC1 ZINC000843044541 1321460329 /nfs/dbraw/zinc/46/03/29/1321460329.db2.gz HJYOTJLVMONJSW-UHFFFAOYSA-N 0 3 341.293 3.427 20 10 EGCDHN CCC[N@@H+](Cc1cc(C)cc(Br)c1[O-])C1CCNCC1 ZINC000843044541 1321460332 /nfs/dbraw/zinc/46/03/32/1321460332.db2.gz HJYOTJLVMONJSW-UHFFFAOYSA-N 0 3 341.293 3.427 20 10 EGCDHN C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@@]1(C)CO ZINC000827699613 1292356904 /nfs/dbraw/zinc/35/69/04/1292356904.db2.gz JQVMVKXNMXLOLI-IERDGZPVSA-N 0 3 341.451 3.422 20 10 EGCDHN C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@@]1(C)CO ZINC000827699613 1292356916 /nfs/dbraw/zinc/35/69/16/1292356916.db2.gz JQVMVKXNMXLOLI-IERDGZPVSA-N 0 3 341.451 3.422 20 10 EGCDHN Cc1cc(CN(Cc2cccc(C(N)=O)c2)C2CC2)ccc1N(C)C ZINC000830539137 1292730408 /nfs/dbraw/zinc/73/04/08/1292730408.db2.gz AGWMMWSNXMZTGO-UHFFFAOYSA-N 0 3 337.467 3.325 20 10 EGCDHN COC[C@@H]1CCCN(Cc2cc(Br)cc(OC)c2O)C1 ZINC000093337456 1292915458 /nfs/dbraw/zinc/91/54/58/1292915458.db2.gz LTIMZKFCRCFLPW-LLVKDONJSA-N 0 3 344.249 3.022 20 10 EGCDHN COC(=O)[C@@H](C)C[N@H+](Cc1c([O-])ccc2ccc(OC)cc21)C1CC1 ZINC000102653038 1292980430 /nfs/dbraw/zinc/98/04/30/1292980430.db2.gz AZOVCIGWNVUSEL-ZDUSSCGKSA-N 0 3 343.423 3.328 20 10 EGCDHN COC(=O)[C@@H](C)C[N@@H+](Cc1c([O-])ccc2ccc(OC)cc21)C1CC1 ZINC000102653038 1292980433 /nfs/dbraw/zinc/98/04/33/1292980433.db2.gz AZOVCIGWNVUSEL-ZDUSSCGKSA-N 0 3 343.423 3.328 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCC2(CO)CC2)c1[O-] ZINC000834897554 1293168418 /nfs/dbraw/zinc/16/84/18/1293168418.db2.gz TYIOSZMNOZNFGB-NSHDSACASA-N 0 3 328.250 3.276 20 10 EGCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H](O)c1ccccc1Br)CC2 ZINC000834911962 1293175116 /nfs/dbraw/zinc/17/51/16/1293175116.db2.gz VEDOZIUJTLYBEC-HOCLYGCPSA-N 0 3 348.240 3.465 20 10 EGCDHN Cc1cc(N(C)C)ccc1CN[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000122801532 1293425744 /nfs/dbraw/zinc/42/57/44/1293425744.db2.gz JGGMAWZVKDOURF-OAHLLOKOSA-N 0 3 346.496 3.315 20 10 EGCDHN C[N@@H+]1CCC[C@H]2CN(Cc3cccc(Br)c3[O-])CC[C@@H]21 ZINC000156093275 1294126824 /nfs/dbraw/zinc/12/68/24/1294126824.db2.gz MLYBDRGLZBETHT-WFASDCNBSA-N 0 3 339.277 3.071 20 10 EGCDHN C[N@H+]1CCC[C@H]2CN(Cc3cccc(Br)c3[O-])CC[C@@H]21 ZINC000156093275 1294126828 /nfs/dbraw/zinc/12/68/28/1294126828.db2.gz MLYBDRGLZBETHT-WFASDCNBSA-N 0 3 339.277 3.071 20 10 EGCDHN Cc1ncc([C@@H](C)NCc2ccc(N3CCSCC3)cc2)c(C)n1 ZINC000163598835 1294336476 /nfs/dbraw/zinc/33/64/76/1294336476.db2.gz HRLNXPJFLHDJBE-CQSZACIVSA-N 0 3 342.512 3.497 20 10 EGCDHN CN(C)CCN(C)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000176279816 1294599635 /nfs/dbraw/zinc/59/96/35/1294599635.db2.gz YYARAEBMQJENMV-UHFFFAOYSA-N 0 3 346.519 3.159 20 10 EGCDHN COc1ccc(N2CCCN(Cc3cnc4ccccn34)CC2)cc1 ZINC000177268329 1294662246 /nfs/dbraw/zinc/66/22/46/1294662246.db2.gz JKPBQDLGQUEZKT-UHFFFAOYSA-N 0 3 336.439 3.055 20 10 EGCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2cc(C)ccc2C)c1 ZINC000182344781 1295037486 /nfs/dbraw/zinc/03/74/86/1295037486.db2.gz FQDMCYBDZPRHPX-CQSZACIVSA-N 0 3 328.412 3.307 20 10 EGCDHN CCc1ccccc1NC(=O)CN[C@@H](C)c1cc(OC)ccc1O ZINC000182359666 1295038700 /nfs/dbraw/zinc/03/87/00/1295038700.db2.gz BUBWLVLFRORSBQ-ZDUSSCGKSA-N 0 3 328.412 3.253 20 10 EGCDHN CCc1oc(C(=O)OC)cc1CN[C@@H](C)c1cc(OC)ccc1O ZINC000182414108 1295045463 /nfs/dbraw/zinc/04/54/63/1295045463.db2.gz OQLKBVRNWOFFCT-NSHDSACASA-N 0 3 333.384 3.194 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]Cc2cccc(CS(C)(=O)=O)c2)c([O-])c1 ZINC000185263537 1295251497 /nfs/dbraw/zinc/25/14/97/1295251497.db2.gz IRHSJQICTWBUAV-CQSZACIVSA-N 0 3 333.453 3.096 20 10 EGCDHN CC1(C)[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])C[C@@H]1O ZINC000189964960 1295554555 /nfs/dbraw/zinc/55/45/55/1295554555.db2.gz BJIIRWZTWPLQBN-MOPGFXCFSA-N 0 3 327.424 3.220 20 10 EGCDHN CC(C)(C)OC(=O)N[C@H](C[NH2+][C@H]1CCc2cccc([O-])c21)C1CC1 ZINC000383740964 1297574169 /nfs/dbraw/zinc/57/41/69/1297574169.db2.gz CEYZBSATAYCKLY-LSDHHAIUSA-N 0 3 332.444 3.272 20 10 EGCDHN [O-]c1cccc(Br)c1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000707144977 1298226698 /nfs/dbraw/zinc/22/66/98/1298226698.db2.gz CIVCXTNHJMPFIX-ZDUSSCGKSA-N 0 3 339.277 3.215 20 10 EGCDHN Cc1ccc(C[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)c([O-])c1 ZINC000876636759 1298885666 /nfs/dbraw/zinc/88/56/66/1298885666.db2.gz MBNOLIAABNRHNZ-UHFFFAOYSA-N 0 3 345.487 3.297 20 10 EGCDHN Cc1ccc(C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)c([O-])c1 ZINC000876649128 1298895713 /nfs/dbraw/zinc/89/57/13/1298895713.db2.gz MZRHBQQMPKIYST-UHFFFAOYSA-N 0 3 330.472 3.362 20 10 EGCDHN Cc1cccc([O-])c1C[NH2+]C[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000876990804 1299104200 /nfs/dbraw/zinc/10/42/00/1299104200.db2.gz MMYDYEXUKPBQJY-LJQANCHMSA-N 0 3 344.430 3.003 20 10 EGCDHN CSc1cc(CNCc2ccc(N3CCC(O)CC3)cc2)ccn1 ZINC000877166296 1299189552 /nfs/dbraw/zinc/18/95/52/1299189552.db2.gz REAXZGMXFZPZFC-UHFFFAOYSA-N 0 3 343.496 3.054 20 10 EGCDHN C[C@@H](NCc1ccc(Cl)nc1)c1ccc(N2CCOCC2)cc1 ZINC000749322991 1299193694 /nfs/dbraw/zinc/19/36/94/1299193694.db2.gz JIZHSBVSDXCQGF-CQSZACIVSA-N 0 3 331.847 3.422 20 10 EGCDHN Cc1ccc(C[N@@H+]2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000877502471 1299351846 /nfs/dbraw/zinc/35/18/46/1299351846.db2.gz KGUMKDSBSLBZGK-LJQANCHMSA-N 0 3 334.460 3.437 20 10 EGCDHN Cc1ccc(C[N@H+]2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000877502471 1299351854 /nfs/dbraw/zinc/35/18/54/1299351854.db2.gz KGUMKDSBSLBZGK-LJQANCHMSA-N 0 3 334.460 3.437 20 10 EGCDHN CC1(C)CN(Cc2ccc(N3CCC(O)CC3)cc2)[C@H]1[C@H]1CCCO1 ZINC000877540081 1299381696 /nfs/dbraw/zinc/38/16/96/1299381696.db2.gz ROITUWQRUVHQCH-UXHICEINSA-N 0 3 344.499 3.037 20 10 EGCDHN Cc1ccc(C[NH2+][C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000877574384 1299409334 /nfs/dbraw/zinc/40/93/34/1299409334.db2.gz HVZODKFZYBFQQH-GDBMZVCRSA-N 0 3 334.460 3.484 20 10 EGCDHN COc1cccc(C)c1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000877636627 1299444761 /nfs/dbraw/zinc/44/47/61/1299444761.db2.gz FEIAJIDOSWPNLH-UHFFFAOYSA-N 0 3 340.467 3.255 20 10 EGCDHN Cc1cccc(C(=O)NC2CC[NH+](Cc3ccc(C)cc3[O-])CC2)c1 ZINC000877694218 1299486840 /nfs/dbraw/zinc/48/68/40/1299486840.db2.gz FCYZOOUVDKBBLH-UHFFFAOYSA-N 0 3 338.451 3.403 20 10 EGCDHN COc1ccccc1CN1CCN(Cc2cc(C)cc(C)c2O)CC1 ZINC000754726215 1300202810 /nfs/dbraw/zinc/20/28/10/1300202810.db2.gz HESYELATXBUSHP-UHFFFAOYSA-N 0 3 340.467 3.335 20 10 EGCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCN2CCCC[C@@H]2C)c1 ZINC000756362587 1300475759 /nfs/dbraw/zinc/47/57/59/1300475759.db2.gz JZSFNGUQZZICPL-GJZGRUSLSA-N 0 3 334.460 3.094 20 10 EGCDHN C[C@H]1C[C@@H]([NH2+]Cc2cccnc2-n2cccn2)c2c1c(F)ccc2[O-] ZINC000756393312 1300483452 /nfs/dbraw/zinc/48/34/52/1300483452.db2.gz NDKVOLBUOJZJDN-SWLSCSKDSA-N 0 3 338.386 3.450 20 10 EGCDHN Cc1ccc(C(=O)NCC[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)cc1 ZINC000756446492 1300493421 /nfs/dbraw/zinc/49/34/21/1300493421.db2.gz QRGBYMQVJMCLHO-XJKSGUPXSA-N 0 3 342.414 3.408 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2cccc(F)c2)c2c1c(F)ccc2[O-] ZINC000756462135 1300497854 /nfs/dbraw/zinc/49/78/54/1300497854.db2.gz ZWJDWJWPYWKYEW-KFNAQCHYSA-N 0 3 349.377 3.248 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(CC(F)(F)F)C2)c2c1c(F)ccc2[O-] ZINC000756503800 1300508931 /nfs/dbraw/zinc/50/89/31/1300508931.db2.gz PWBXNOSMMCLJOX-FOGDFJRCSA-N 0 3 332.341 3.306 20 10 EGCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CCN(C(C)(C)C)CC2)c1 ZINC000756683957 1300547596 /nfs/dbraw/zinc/54/75/96/1300547596.db2.gz IHGVTYPETQCTRL-ZDUSSCGKSA-N 0 3 334.460 3.092 20 10 EGCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2CCN(C(C)(C)C)CC2)c1 ZINC000756683954 1300547842 /nfs/dbraw/zinc/54/78/42/1300547842.db2.gz IHGVTYPETQCTRL-CYBMUJFWSA-N 0 3 334.460 3.092 20 10 EGCDHN CC(C)[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F)C(=O)N1CCCC1 ZINC000756707279 1300549618 /nfs/dbraw/zinc/54/96/18/1300549618.db2.gz XPMZTRGCWKYQHW-WRSAYESZSA-N 0 3 334.435 3.316 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCc2cccc3c2OCCCO3)c1 ZINC000756761013 1300561523 /nfs/dbraw/zinc/56/15/23/1300561523.db2.gz SREDEQJUDWJLQG-ZDUSSCGKSA-N 0 3 329.396 3.413 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccccn3)C2)c2c1c(F)ccc2[O-] ZINC000756769546 1300562575 /nfs/dbraw/zinc/56/25/75/1300562575.db2.gz FYPCUVOHPTZWLT-NFAWXSAZSA-N 0 3 327.403 3.343 20 10 EGCDHN COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2[O-])cc1OC ZINC000879648156 1300648248 /nfs/dbraw/zinc/64/82/48/1300648248.db2.gz AIHMEGMDDXVTJJ-OLZOCXBDSA-N 0 3 344.411 3.087 20 10 EGCDHN C[C@@H]([NH2+]CCCCN1C(=O)c2ccccc2C1=O)c1ccccc1[O-] ZINC000879649070 1300648755 /nfs/dbraw/zinc/64/87/55/1300648755.db2.gz LDIBWVOQLXUFHB-CQSZACIVSA-N 0 3 338.407 3.119 20 10 EGCDHN C[C@@H]([NH2+]CC(=O)N(C)[C@H](C)c1ccc(F)cc1)c1ccccc1[O-] ZINC000879650005 1300650117 /nfs/dbraw/zinc/65/01/17/1300650117.db2.gz XFXBCXIDHIJBGM-ZIAGYGMSSA-N 0 3 330.403 3.402 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+]CCCN2CCCO[C@H](C)C2)c2c1c(F)ccc2[O-] ZINC000762648464 1301720502 /nfs/dbraw/zinc/72/05/02/1301720502.db2.gz IZWKVLOXIFDFCC-IIAWOOMASA-N 0 3 336.451 3.170 20 10 EGCDHN CCOc1ccc(C[NH2+]C[C@@](C)(O)c2ccccc2Cl)c([O-])c1 ZINC000764983528 1302180762 /nfs/dbraw/zinc/18/07/62/1302180762.db2.gz OZICNFXLYXQUSL-GOSISDBHSA-N 0 3 335.831 3.442 20 10 EGCDHN CN1CCN(c2ccc(CNCc3c(F)cccc3F)cc2)CC1 ZINC000883284183 1302362910 /nfs/dbraw/zinc/36/29/10/1302362910.db2.gz HKAKILBFSJHVHS-UHFFFAOYSA-N 0 3 331.410 3.006 20 10 EGCDHN CC[N@H+](CCn1ccnc1C)Cc1cc(Br)ccc1[O-] ZINC000766251550 1302415936 /nfs/dbraw/zinc/41/59/36/1302415936.db2.gz VCKRDLUNMWPRTP-UHFFFAOYSA-N 0 3 338.249 3.182 20 10 EGCDHN CC[N@@H+](CCn1ccnc1C)Cc1cc(Br)ccc1[O-] ZINC000766251550 1302415937 /nfs/dbraw/zinc/41/59/37/1302415937.db2.gz VCKRDLUNMWPRTP-UHFFFAOYSA-N 0 3 338.249 3.182 20 10 EGCDHN COc1cccc(O)c1CN1CCN(c2cccc(C)c2C)CC1 ZINC000768144407 1302836024 /nfs/dbraw/zinc/83/60/24/1302836024.db2.gz QOMSYGIGJXJJOT-UHFFFAOYSA-N 0 3 326.440 3.340 20 10 EGCDHN CCOc1ccc(CN2CCN(c3cccc(C)c3)CC2)c(O)c1 ZINC000768215050 1302856888 /nfs/dbraw/zinc/85/68/88/1302856888.db2.gz VOKPLTMJFFHMGO-UHFFFAOYSA-N 0 3 326.440 3.422 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1CCc1ccccc1)[C@@H](O)CO2 ZINC000768442154 1302903819 /nfs/dbraw/zinc/90/38/19/1302903819.db2.gz JRVJFEPIUYELCM-XLIONFOSSA-N 0 3 339.435 3.415 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1CCc1ccccc1)[C@@H](O)CO2 ZINC000768442154 1302903830 /nfs/dbraw/zinc/90/38/30/1302903830.db2.gz JRVJFEPIUYELCM-XLIONFOSSA-N 0 3 339.435 3.415 20 10 EGCDHN Cc1ccccc1C[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C1CC1 ZINC000768440269 1302905239 /nfs/dbraw/zinc/90/52/39/1302905239.db2.gz PVUGZGFRTWFRHE-LJQANCHMSA-N 0 3 325.408 3.291 20 10 EGCDHN Cc1ccccc1C[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C1CC1 ZINC000768440269 1302905246 /nfs/dbraw/zinc/90/52/46/1302905246.db2.gz PVUGZGFRTWFRHE-LJQANCHMSA-N 0 3 325.408 3.291 20 10 EGCDHN C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768447899 1302906606 /nfs/dbraw/zinc/90/66/06/1302906606.db2.gz RGIOVUAWEDQXIN-ZXYWRSMDSA-N 0 3 325.408 3.196 20 10 EGCDHN C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768447899 1302906611 /nfs/dbraw/zinc/90/66/11/1302906611.db2.gz RGIOVUAWEDQXIN-ZXYWRSMDSA-N 0 3 325.408 3.196 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCCC[C@H]1Cc1ccccc1)[C@@H](O)CO2 ZINC000768445251 1302908286 /nfs/dbraw/zinc/90/82/86/1302908286.db2.gz RCMGJWCFPATAJA-PXNSSMCTSA-N 0 3 339.435 3.415 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CCCC[C@H]1Cc1ccccc1)[C@@H](O)CO2 ZINC000768445251 1302908289 /nfs/dbraw/zinc/90/82/89/1302908289.db2.gz RCMGJWCFPATAJA-PXNSSMCTSA-N 0 3 339.435 3.415 20 10 EGCDHN C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768467072 1302913368 /nfs/dbraw/zinc/91/33/68/1302913368.db2.gz XADVVQZTTBZAMB-IIMJZQEZSA-N 0 3 339.435 3.271 20 10 EGCDHN C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768467072 1302913377 /nfs/dbraw/zinc/91/33/77/1302913377.db2.gz XADVVQZTTBZAMB-IIMJZQEZSA-N 0 3 339.435 3.271 20 10 EGCDHN C[C@H](O)[C@H]1CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000768518840 1302923277 /nfs/dbraw/zinc/92/32/77/1302923277.db2.gz JBOQFRAIFMURME-RDJZCZTQSA-N 0 3 347.459 3.178 20 10 EGCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000769499911 1303128484 /nfs/dbraw/zinc/12/84/84/1303128484.db2.gz SKSBMOHKHYDOKP-KRWDZBQOSA-N 0 3 327.424 3.440 20 10 EGCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000769499911 1303128489 /nfs/dbraw/zinc/12/84/89/1303128489.db2.gz SKSBMOHKHYDOKP-KRWDZBQOSA-N 0 3 327.424 3.440 20 10 EGCDHN CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2c([O-])cccc2F)[C@H](C)C1 ZINC000886528086 1303488285 /nfs/dbraw/zinc/48/82/85/1303488285.db2.gz GSLJGJCTBKMUOF-VYDXJSESSA-N 0 3 338.467 3.319 20 10 EGCDHN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)NCCc1ccccc1 ZINC000774480356 1303814753 /nfs/dbraw/zinc/81/47/53/1303814753.db2.gz AWKZFODWMPTALT-DLBZAZTESA-N 0 3 339.483 3.151 20 10 EGCDHN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)NCc1ccccc1F ZINC000774480369 1303814932 /nfs/dbraw/zinc/81/49/32/1303814932.db2.gz AYFNURITUAVRTB-LSDHHAIUSA-N 0 3 343.446 3.247 20 10 EGCDHN Cc1ccc(CNC(=O)[C@@H](C)N[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000774482777 1303814977 /nfs/dbraw/zinc/81/49/77/1303814977.db2.gz HQKHXXHUWQCQON-IAGOWNOFSA-N 0 3 339.483 3.417 20 10 EGCDHN Cc1ccc(CNC(=O)[C@@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000774482772 1303815552 /nfs/dbraw/zinc/81/55/52/1303815552.db2.gz HQKHXXHUWQCQON-DLBZAZTESA-N 0 3 339.483 3.417 20 10 EGCDHN CCOc1ccc(C[NH2+]CCc2nn(C)c3ccccc23)c([O-])c1 ZINC000775318859 1303938637 /nfs/dbraw/zinc/93/86/37/1303938637.db2.gz LSKVCUCTLYDGDF-UHFFFAOYSA-N 0 3 325.412 3.010 20 10 EGCDHN COc1cc(CN[C@@H](C)c2ccc(N(C)C)cc2)cc2c1OCO2 ZINC000775362615 1303945921 /nfs/dbraw/zinc/94/59/21/1303945921.db2.gz IXNJXLZKWZMOLL-ZDUSSCGKSA-N 0 3 328.412 3.341 20 10 EGCDHN CC[C@@H]([NH2+][C@H](C)CCN1CCN(C)CC1)c1cc(Cl)ccc1[O-] ZINC000775553585 1303983143 /nfs/dbraw/zinc/98/31/43/1303983143.db2.gz DARJYQSVFCBCFI-RHSMWYFYSA-N 0 3 339.911 3.112 20 10 EGCDHN CC[C@@H]([NH2+][C@@H](C)CCN1CCN(C)CC1)c1cc(Cl)ccc1[O-] ZINC000775553588 1303983377 /nfs/dbraw/zinc/98/33/77/1303983377.db2.gz DARJYQSVFCBCFI-WMLDXEAASA-N 0 3 339.911 3.112 20 10 EGCDHN CCOC1CC([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)C1 ZINC000775633092 1303999623 /nfs/dbraw/zinc/99/96/23/1303999623.db2.gz JTADAJOFSCMABV-KLAILNCOSA-N 0 3 338.879 3.167 20 10 EGCDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000775830665 1304045263 /nfs/dbraw/zinc/04/52/63/1304045263.db2.gz MHTZYYVMQBIPML-YVSFHVDLSA-N 0 3 331.504 3.296 20 10 EGCDHN C[C@@H](NCC(=O)N(C)Cc1ccccc1F)c1ccc(N(C)C)cc1 ZINC000775836654 1304047994 /nfs/dbraw/zinc/04/79/94/1304047994.db2.gz OUZZZZDYNVCLLH-OAHLLOKOSA-N 0 3 343.446 3.201 20 10 EGCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+]C[C@H]2CCCOC2)C1 ZINC000776175765 1304107274 /nfs/dbraw/zinc/10/72/74/1304107274.db2.gz QLLAHAVENUBIJZ-PBHICJAKSA-N 0 3 338.879 3.026 20 10 EGCDHN CO[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000776256920 1304122464 /nfs/dbraw/zinc/12/24/64/1304122464.db2.gz SOFNNBBDGZUVRJ-SMDDNHRTSA-N 0 3 328.250 3.368 20 10 EGCDHN [O-]c1cc2c(cc1C[NH+]1CCC(c3ccsc3)CC1)[C@@H](O)CO2 ZINC000776781598 1304198738 /nfs/dbraw/zinc/19/87/38/1304198738.db2.gz LYBJHFCPXYDQBY-KRWDZBQOSA-N 0 3 331.437 3.259 20 10 EGCDHN CS[C@@H](C)CCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248304 1304999106 /nfs/dbraw/zinc/99/91/06/1304999106.db2.gz KHZMNNNUYNKOQU-WMLDXEAASA-N 0 3 337.533 3.003 20 10 EGCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CC23CCCC3)N(C)C)cc1 ZINC000891252657 1305000637 /nfs/dbraw/zinc/00/06/37/1305000637.db2.gz LWNGBFWGZCFWSE-QZTJIDSGSA-N 0 3 329.488 3.052 20 10 EGCDHN CN(C)c1ccc([C@H](CNC(=O)[C@]2(C)CC=CCC2)N(C)C)cc1 ZINC000891248922 1305000802 /nfs/dbraw/zinc/00/08/02/1305000802.db2.gz OQSPVDAYPUJVKM-AZUAARDMSA-N 0 3 329.488 3.218 20 10 EGCDHN C[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccsc1 ZINC000891254132 1305001755 /nfs/dbraw/zinc/00/17/55/1305001755.db2.gz VWHHXTKZXHTCQF-KDOFPFPSSA-N 0 3 345.512 3.337 20 10 EGCDHN CN(C)c1ccc([C@@H](CNC(=O)CCc2cccs2)N(C)C)cc1 ZINC000891255222 1305001847 /nfs/dbraw/zinc/00/18/47/1305001847.db2.gz NVCXJQCKBWTNQX-GOSISDBHSA-N 0 3 345.512 3.166 20 10 EGCDHN CN(C)c1ccc([C@H](CNC(=O)CCc2ccsc2)N(C)C)cc1 ZINC000891255124 1305002004 /nfs/dbraw/zinc/00/20/04/1305002004.db2.gz MWWWNYRFNYXOJQ-SFHVURJKSA-N 0 3 345.512 3.166 20 10 EGCDHN COc1ccc(CN2CCC(Oc3ccccc3)CC2)c(O)c1OC ZINC000891668160 1305129665 /nfs/dbraw/zinc/12/96/65/1305129665.db2.gz SQEKBCDJGSOSRH-UHFFFAOYSA-N 0 3 343.423 3.453 20 10 EGCDHN NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000787422670 1305742916 /nfs/dbraw/zinc/74/29/16/1305742916.db2.gz IJLKWSUALBWGPN-QRFRQXIXSA-N 0 3 336.435 3.145 20 10 EGCDHN NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000787422670 1305742924 /nfs/dbraw/zinc/74/29/24/1305742924.db2.gz IJLKWSUALBWGPN-QRFRQXIXSA-N 0 3 336.435 3.145 20 10 EGCDHN COc1cc([C@@H](C)NCc2ccc(N3CCSCC3)cc2)ccn1 ZINC000788542293 1305967423 /nfs/dbraw/zinc/96/74/23/1305967423.db2.gz LXXNLWWURWFUGZ-OAHLLOKOSA-N 0 3 343.496 3.494 20 10 EGCDHN COc1cc(C)cc(CN[C@H]2CCOc3c(OC)cccc32)c1O ZINC000894257792 1306305563 /nfs/dbraw/zinc/30/55/63/1306305563.db2.gz XXMHXGRDNVFOQA-HNNXBMFYSA-N 0 3 329.396 3.331 20 10 EGCDHN CC(C)n1nccc1CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000792943827 1309266867 /nfs/dbraw/zinc/26/68/67/1309266867.db2.gz XBCFQMXRDAZGEB-MRXNPFEDSA-N 0 3 328.460 3.151 20 10 EGCDHN COc1ccc(C[NH2+][C@H](C)CCc2ccc(OC)c(O)c2)c([O-])c1 ZINC000793387597 1309362346 /nfs/dbraw/zinc/36/23/46/1309362346.db2.gz IHZQYEVMSGZFLZ-CYBMUJFWSA-N 0 3 331.412 3.226 20 10 EGCDHN [O-]c1ccccc1C[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000793620366 1309417890 /nfs/dbraw/zinc/41/78/90/1309417890.db2.gz OHECEBWSFIUROE-UHFFFAOYSA-N 0 3 347.256 3.477 20 10 EGCDHN Cc1cc(CN2CCO[C@]3(CCO[C@H]3C)C2)c(O)c(C(C)(C)C)c1 ZINC000794666017 1309566768 /nfs/dbraw/zinc/56/67/68/1309566768.db2.gz MIGREUKPHJINHY-MGPUTAFESA-N 0 3 333.472 3.378 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+]CC2(S(C)(=O)=O)CCCC2)c2c1c(F)ccc2[O-] ZINC000797102508 1310141459 /nfs/dbraw/zinc/14/14/59/1310141459.db2.gz PGCZTQITTVGSFK-DGCLKSJQSA-N 0 3 341.448 3.027 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+]2C[C@@H](Cc3ccccc3)[C@H](O)C2)c1[O-] ZINC000898142120 1310601056 /nfs/dbraw/zinc/60/10/56/1310601056.db2.gz IRXFNLLZLLHJHJ-RHSMWYFYSA-N 0 3 347.842 3.090 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+]2C[C@@H](Cc3ccccc3)[C@H](O)C2)c1[O-] ZINC000898142120 1310601061 /nfs/dbraw/zinc/60/10/61/1310601061.db2.gz IRXFNLLZLLHJHJ-RHSMWYFYSA-N 0 3 347.842 3.090 20 10 EGCDHN COc1ccc([C@@H](NC(C)C)C(=O)NCc2cc(C)ccc2O)cc1 ZINC000899133413 1310946835 /nfs/dbraw/zinc/94/68/35/1310946835.db2.gz LMZSYWWRGIXPQK-LJQANCHMSA-N 0 3 342.439 3.065 20 10 EGCDHN CO[C@H]1CC[N@H+](Cc2cc(Br)cc(C)c2[O-])C[C@@H]1C ZINC000824815678 1320287778 /nfs/dbraw/zinc/28/77/78/1320287778.db2.gz WREBUQHJYKGIIP-FZMZJTMJSA-N 0 3 328.250 3.320 20 10 EGCDHN CO[C@H]1CC[N@@H+](Cc2cc(Br)cc(C)c2[O-])C[C@@H]1C ZINC000824815678 1320287781 /nfs/dbraw/zinc/28/77/81/1320287781.db2.gz WREBUQHJYKGIIP-FZMZJTMJSA-N 0 3 328.250 3.320 20 10 EGCDHN COC[C@@]1(C)CCN(Cc2cc(Br)cc(OC)c2O)C1 ZINC000824576189 1320267114 /nfs/dbraw/zinc/26/71/14/1320267114.db2.gz CNXGBQXJRHETIE-HNNXBMFYSA-N 0 3 344.249 3.022 20 10 EGCDHN CCCN1CCC([N@H+](C)Cc2ccc(Br)cc2[O-])CC1 ZINC000824602046 1320268332 /nfs/dbraw/zinc/26/83/32/1320268332.db2.gz QGNCHQZSWHFWBP-UHFFFAOYSA-N 0 3 341.293 3.461 20 10 EGCDHN CCCN1CCC([N@@H+](C)Cc2ccc(Br)cc2[O-])CC1 ZINC000824602046 1320268334 /nfs/dbraw/zinc/26/83/34/1320268334.db2.gz QGNCHQZSWHFWBP-UHFFFAOYSA-N 0 3 341.293 3.461 20 10 EGCDHN CC[C@H](C)[C@@H](C[NH2+]Cc1cc(Br)cc(OC)c1[O-])OC ZINC000824596056 1320268349 /nfs/dbraw/zinc/26/83/49/1320268349.db2.gz FRYKARYCFSXPCH-IINYFYTJSA-N 0 3 346.265 3.314 20 10 EGCDHN CCOc1ccc(C[N@@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)c([O-])c1 ZINC000827196617 1320433398 /nfs/dbraw/zinc/43/33/98/1320433398.db2.gz MGMLNAMNWIYIHW-AZUAARDMSA-N 0 3 341.451 3.389 20 10 EGCDHN CCOc1ccc(C[N@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)c([O-])c1 ZINC000827196617 1320433402 /nfs/dbraw/zinc/43/34/02/1320433402.db2.gz MGMLNAMNWIYIHW-AZUAARDMSA-N 0 3 341.451 3.389 20 10 EGCDHN CC[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1=O)c1ccccc1[O-] ZINC000839540222 1320935215 /nfs/dbraw/zinc/93/52/15/1320935215.db2.gz IZAFYHKQMDPXCU-IAGOWNOFSA-N 0 3 328.387 3.378 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](CO)C(C)C)c1[O-] ZINC000806169175 1317467877 /nfs/dbraw/zinc/46/78/77/1317467877.db2.gz IQFVAYKLNMYFIZ-RYUDHWBXSA-N 0 3 330.266 3.378 20 10 EGCDHN C[C@H]([NH2+]CCCONC(=O)OC(C)(C)C)c1cc(F)ccc1[O-] ZINC000903239838 1317679092 /nfs/dbraw/zinc/67/90/92/1317679092.db2.gz PTYXQLJFOSKMRM-NSHDSACASA-N 0 3 328.384 3.028 20 10 EGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCCc3c2cnn3CCO)c1[O-] ZINC000808680818 1317715777 /nfs/dbraw/zinc/71/57/77/1317715777.db2.gz PSOXYCXBYCBGEA-MLGOLLRUSA-N 0 3 349.862 3.271 20 10 EGCDHN c1csc(SCCCN[C@H](c2nnc[nH]2)c2ccccc2)n1 ZINC000808694162 1317717744 /nfs/dbraw/zinc/71/77/44/1317717744.db2.gz DMPVSRQZKYFYSH-ZDUSSCGKSA-N 0 3 331.470 3.123 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)c1[O-] ZINC000808706920 1317719591 /nfs/dbraw/zinc/71/95/91/1317719591.db2.gz BEUIQQHKTPEVPW-YUTCNCBUSA-N 0 3 345.892 3.360 20 10 EGCDHN FC(F)CN1CCCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000809756772 1317892206 /nfs/dbraw/zinc/89/22/06/1317892206.db2.gz JIHGCPUKTAXMOG-UHFFFAOYSA-N 0 3 337.458 3.450 20 10 EGCDHN CCN(CC)c1ccc(CN2CCCC[C@H]2COC(=O)NC)cc1 ZINC000809779721 1317899576 /nfs/dbraw/zinc/89/95/76/1317899576.db2.gz XKHVDBVCDUDIHO-SFHVURJKSA-N 0 3 333.476 3.243 20 10 EGCDHN Fc1cc(CN2CC3(CCC3)[C@H]2C2CC2)ccc1N1CCOCC1 ZINC000811514018 1318191961 /nfs/dbraw/zinc/19/19/61/1318191961.db2.gz ZYHOGWKLUSWVFA-LJQANCHMSA-N 0 3 330.447 3.427 20 10 EGCDHN C[C@H]([NH2+]C[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000813878577 1318648915 /nfs/dbraw/zinc/64/89/15/1318648915.db2.gz CFRVGODLQWEMKP-IHRRRGAJSA-N 0 3 338.423 3.390 20 10 EGCDHN COc1cccc(CN2CCN(c3cccc(F)c3)C[C@H]2C)c1O ZINC000814178687 1318692165 /nfs/dbraw/zinc/69/21/65/1318692165.db2.gz ZUDBGSPCAWMOAW-CQSZACIVSA-N 0 3 330.403 3.251 20 10 EGCDHN COc1ccc([C@@H](CO)N(C)Cc2ccc(N(C)C)c(C)c2)cc1 ZINC000815049301 1318873254 /nfs/dbraw/zinc/87/32/54/1318873254.db2.gz YMWFENSJUHVDAT-HXUWFJFHSA-N 0 3 328.456 3.235 20 10 EGCDHN COc1cccc(O)c1CNCc1ccc(OC(F)F)c(F)c1 ZINC000815153366 1318916010 /nfs/dbraw/zinc/91/60/10/1318916010.db2.gz OQGMZOPPFKHRPA-UHFFFAOYSA-N 0 3 327.302 3.431 20 10 EGCDHN CO[C@@]1(C[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])CCOC1 ZINC000815616286 1319028345 /nfs/dbraw/zinc/02/83/45/1319028345.db2.gz KOCXXWGTXHQPNZ-TZIWHRDSSA-N 0 3 341.451 3.461 20 10 EGCDHN CO[C@@]1(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])CCOC1 ZINC000815616285 1319029368 /nfs/dbraw/zinc/02/93/68/1319029368.db2.gz KOCXXWGTXHQPNZ-PZJWPPBQSA-N 0 3 341.451 3.461 20 10 EGCDHN CCNC(=O)[C@@H](NCc1ccc(N(C)C)cc1C(F)(F)F)C(C)C ZINC000816637972 1319198917 /nfs/dbraw/zinc/19/89/17/1319198917.db2.gz VNVKNFSJRNGWHI-HNNXBMFYSA-N 0 3 345.409 3.022 20 10 EGCDHN CC[C@@H](CO)NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000916570796 1319675600 /nfs/dbraw/zinc/67/56/00/1319675600.db2.gz VTBQSRXHNLUHAB-AWEZNQCLSA-N 0 3 326.400 3.401 20 10 EGCDHN COCC(C)(C)N1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000819892687 1319794759 /nfs/dbraw/zinc/79/47/59/1319794759.db2.gz ADWICTYLYHLUOX-UHFFFAOYSA-N 0 3 328.456 3.088 20 10 EGCDHN CCCC(=O)NC1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000917448862 1319813009 /nfs/dbraw/zinc/81/30/09/1319813009.db2.gz IFLYUDAEKCCNRR-UHFFFAOYSA-N 0 3 326.440 3.426 20 10 EGCDHN CCOc1cccc(C[N@H+](CCO)Cc2ccc(OCC)cc2[O-])c1 ZINC000825300215 1320325785 /nfs/dbraw/zinc/32/57/85/1320325785.db2.gz XXLXMFPYZZYXKT-UHFFFAOYSA-N 0 3 345.439 3.184 20 10 EGCDHN CCOc1cccc(C[N@@H+](CCO)Cc2ccc(OCC)cc2[O-])c1 ZINC000825300215 1320325791 /nfs/dbraw/zinc/32/57/91/1320325791.db2.gz XXLXMFPYZZYXKT-UHFFFAOYSA-N 0 3 345.439 3.184 20 10 EGCDHN CCOc1cccc(CN(CCO)Cc2ccc(OCC)cc2O)c1 ZINC000825300215 1320325796 /nfs/dbraw/zinc/32/57/96/1320325796.db2.gz XXLXMFPYZZYXKT-UHFFFAOYSA-N 0 3 345.439 3.184 20 10 EGCDHN COCC1(C)CN(Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000839143463 1320879577 /nfs/dbraw/zinc/87/95/77/1320879577.db2.gz LNEUQDOQORIQRX-UHFFFAOYSA-N 0 3 327.424 3.440 20 10 EGCDHN COc1ccc(O)c([C@H](C)N[C@@H](C)C(=O)N(C)c2ccccc2)c1 ZINC000839540182 1320934778 /nfs/dbraw/zinc/93/47/78/1320934778.db2.gz SKGRGBIRJZDQEE-KBPBESRZSA-N 0 3 328.412 3.103 20 10 EGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@]4(C3)CCCN(C)C4)c2c1 ZINC000840085198 1321025066 /nfs/dbraw/zinc/02/50/66/1321025066.db2.gz BPBWGNUCTYQUBY-OAQYLSRUSA-N 0 3 340.467 3.472 20 10 EGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@]4(C3)CCCN(C)C4)c2c1 ZINC000840085198 1321025071 /nfs/dbraw/zinc/02/50/71/1321025071.db2.gz BPBWGNUCTYQUBY-OAQYLSRUSA-N 0 3 340.467 3.472 20 10 EGCDHN CCCN(Cc1ccccc1O)C(=O)Nc1ccc2c(c1)CNC2 ZINC000841332111 1321258405 /nfs/dbraw/zinc/25/84/05/1321258405.db2.gz MBKWWHQQEDTFCB-UHFFFAOYSA-N 0 3 325.412 3.440 20 10 EGCDHN C[C@H]([NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1)c1ccc(Cl)cc1[O-] ZINC000841750781 1321306832 /nfs/dbraw/zinc/30/68/32/1321306832.db2.gz JCEMODURPFZWBF-ZLIFDBKOSA-N 0 3 338.879 3.074 20 10 EGCDHN Cc1ncncc1[C@H](C)NCc1ccc(N2CCSCC2)cc1 ZINC000848521537 1321968155 /nfs/dbraw/zinc/96/81/55/1321968155.db2.gz POTZSLKPEVCYIK-AWEZNQCLSA-N 0 3 328.485 3.189 20 10 EGCDHN COc1cc(CNCc2n[nH]c(C(C)C)n2)c(O)c(C(C)(C)C)c1 ZINC000850313982 1322226382 /nfs/dbraw/zinc/22/63/82/1322226382.db2.gz NBOGRJBWLBRWSJ-UHFFFAOYSA-N 0 3 332.448 3.230 20 10 EGCDHN Oc1ccc2c(c1)[C@H](NCc1ccc(N3CCOCC3)c(F)c1)CC2 ZINC000850386686 1322237247 /nfs/dbraw/zinc/23/72/47/1322237247.db2.gz LKBWYVLDEAPVJD-LJQANCHMSA-N 0 3 342.414 3.145 20 10 EGCDHN C[C@@H](NCc1cccc2c1OCC2)c1ccc(N2CCOCC2)cc1 ZINC000921591049 1322360392 /nfs/dbraw/zinc/36/03/92/1322360392.db2.gz GBRYKHYPCYYXCB-MRXNPFEDSA-N 0 3 338.451 3.309 20 10 EGCDHN COCCOCc1ccc(CNCc2ccc3c(c2)CCCO3)cc1 ZINC000922140563 1322464101 /nfs/dbraw/zinc/46/41/01/1322464101.db2.gz JWXBJRZMCWCMED-UHFFFAOYSA-N 0 3 341.451 3.464 20 10 EGCDHN CCOCc1cc(CN[C@@H](c2cnn(C)c2)C(C)C)ccc1OC ZINC000922893031 1322643204 /nfs/dbraw/zinc/64/32/04/1322643204.db2.gz FSHYJPBBHSSJLS-LJQANCHMSA-N 0 3 331.460 3.452 20 10 EGCDHN C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@H]1CO ZINC000857060994 1325565655 /nfs/dbraw/zinc/56/56/55/1325565655.db2.gz HSYSPIJYFYCPMI-APWZRJJASA-N 0 3 341.451 3.422 20 10 EGCDHN C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@H]1CO ZINC000857060994 1325565663 /nfs/dbraw/zinc/56/56/63/1325565663.db2.gz HSYSPIJYFYCPMI-APWZRJJASA-N 0 3 341.451 3.422 20 10 EGCDHN CC[N@@H+]1CC[C@H](N(C)Cc2c([O-])cccc2Br)C[C@@H]1C ZINC000862248760 1329470737 /nfs/dbraw/zinc/47/07/37/1329470737.db2.gz RAVIZZRRFNCWFI-STQMWFEESA-N 0 3 341.293 3.459 20 10 EGCDHN CC[N@H+]1CC[C@H](N(C)Cc2c([O-])cccc2Br)C[C@@H]1C ZINC000862248760 1329470739 /nfs/dbraw/zinc/47/07/39/1329470739.db2.gz RAVIZZRRFNCWFI-STQMWFEESA-N 0 3 341.293 3.459 20 10 EGCDHN CC[NH+](CC)C[C@H]1CCN(Cc2c([O-])cccc2Br)C1 ZINC000862249461 1329470804 /nfs/dbraw/zinc/47/08/04/1329470804.db2.gz PWSHCAOSBVQQBY-CYBMUJFWSA-N 0 3 341.293 3.318 20 10 EGCDHN Fc1cc(CN[C@@H]2CCCc3ncccc32)ccc1N1CCOCC1 ZINC000866240203 1330083830 /nfs/dbraw/zinc/08/38/30/1330083830.db2.gz ZIGJRZWCAWAWDV-LJQANCHMSA-N 0 3 341.430 3.225 20 10 EGCDHN CC[C@H](NC[C@@H](n1cncn1)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000866434287 1330111615 /nfs/dbraw/zinc/11/16/15/1330111615.db2.gz KJAXBCSCNQVVMA-LSDHHAIUSA-N 0 3 341.381 3.188 20 10 EGCDHN CC[C@@H](NC[C@H](n1cncn1)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000866434281 1330111623 /nfs/dbraw/zinc/11/16/23/1330111623.db2.gz KJAXBCSCNQVVMA-CABCVRRESA-N 0 3 341.381 3.188 20 10 EGCDHN C[C@H](N[C@@H]1C[C@H]1C(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000866499743 1330118881 /nfs/dbraw/zinc/11/88/81/1330118881.db2.gz NALLTQOKUOJSKH-ZKYQVNSYSA-N 0 3 332.341 3.264 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)c1[O-] ZINC001233110407 1376571012 /nfs/dbraw/zinc/57/10/12/1376571012.db2.gz DMLDGHRXAOHVBM-RISCZKNCSA-N 0 3 338.245 3.264 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)c1[O-] ZINC001233110407 1376571015 /nfs/dbraw/zinc/57/10/15/1376571015.db2.gz DMLDGHRXAOHVBM-RISCZKNCSA-N 0 3 338.245 3.264 20 10 EGCDHN Cc1cc(Br)cc(CN2C[C@@H]3C(=O)CCC[C@@H]3C2)c1O ZINC001233110407 1376571018 /nfs/dbraw/zinc/57/10/18/1376571018.db2.gz DMLDGHRXAOHVBM-RISCZKNCSA-N 0 3 338.245 3.264 20 10 EGCDHN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@@H](C(C)C)N(C)C ZINC001183366213 1387303774 /nfs/dbraw/zinc/30/37/74/1387303774.db2.gz PBBLTIIBEKKBQP-SJLPKXTDSA-N 0 3 332.488 3.335 20 10 EGCDHN O=C(c1ccccc1)N1CCC[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC001325316447 1387932516 /nfs/dbraw/zinc/93/25/16/1387932516.db2.gz TXBSNCYPZZZVTI-ZWKOTPCHSA-N 0 3 336.435 3.274 20 10 EGCDHN Oc1ccccc1CN1CCN(c2nc3ccccc3s2)CC1 ZINC001203555476 1370167449 /nfs/dbraw/zinc/16/74/49/1370167449.db2.gz ARAVUJOQGSRHFW-UHFFFAOYSA-N 0 3 325.437 3.324 20 10 EGCDHN O=C1C[C@H](c2ccccc2)C2(CC[NH+](Cc3ccccc3[O-])CC2)N1 ZINC001203552706 1370167617 /nfs/dbraw/zinc/16/76/17/1370167617.db2.gz RCMQZKTYHHCJJU-GOSISDBHSA-N 0 3 336.435 3.031 20 10 EGCDHN COc1ccc(CN2CCN([C@H](C)c3ccccc3)CC2)c(O)c1 ZINC001203628050 1370192925 /nfs/dbraw/zinc/19/29/25/1370192925.db2.gz WQIOCUNCSYFKBG-MRXNPFEDSA-N 0 3 326.440 3.280 20 10 EGCDHN COc1ccc(O)c(CN2CC[C@H](Oc3cc(F)ccc3F)C2)c1 ZINC001203675104 1370212156 /nfs/dbraw/zinc/21/21/56/1370212156.db2.gz MXEJKAKCKSXQNA-HNNXBMFYSA-N 0 3 335.350 3.332 20 10 EGCDHN CCCN1CCCC[C@H]1C(=O)NCc1ccc(N(CC)CC)cc1 ZINC001115917718 1370805337 /nfs/dbraw/zinc/80/53/37/1370805337.db2.gz CJKIPGXUPVEZQV-IBGZPJMESA-N 0 3 331.504 3.414 20 10 EGCDHN C[C@@H]([NH2+]Cc1ccccc1N1CCN(C)CC1)c1c([O-])cccc1F ZINC001119437614 1371341253 /nfs/dbraw/zinc/34/12/53/1371341253.db2.gz BPWCYUGQUATMPN-OAHLLOKOSA-N 0 3 343.446 3.134 20 10 EGCDHN CC(C)NC(=O)N[C@H]1CCCN(Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233287000 1376604680 /nfs/dbraw/zinc/60/46/80/1376604680.db2.gz RLDWJMXGHPXNTO-KRWDZBQOSA-N 0 3 347.503 3.362 20 10 EGCDHN CCOC(=O)[C@]1(C)CCCN(Cc2cc(Cl)cc(OC)c2O)C1 ZINC001233290479 1376606086 /nfs/dbraw/zinc/60/60/86/1376606086.db2.gz DSGFFDDSNQKYOX-QGZVFWFLSA-N 0 3 341.835 3.219 20 10 EGCDHN CCOC(=O)[C@]1(C)CCC[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC001233290479 1376606094 /nfs/dbraw/zinc/60/60/94/1376606094.db2.gz DSGFFDDSNQKYOX-QGZVFWFLSA-N 0 3 341.835 3.219 20 10 EGCDHN CCOC(=O)[C@]1(C)CCC[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC001233290479 1376606099 /nfs/dbraw/zinc/60/60/99/1376606099.db2.gz DSGFFDDSNQKYOX-QGZVFWFLSA-N 0 3 341.835 3.219 20 10 EGCDHN C[C@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])CCC[C@]1(C)O ZINC001233726228 1376703365 /nfs/dbraw/zinc/70/33/65/1376703365.db2.gz ATHJKXVANGCJFJ-NHYWBVRUSA-N 0 3 333.350 3.274 20 10 EGCDHN C[C@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])CCC[C@]1(C)O ZINC001233726228 1376703369 /nfs/dbraw/zinc/70/33/69/1376703369.db2.gz ATHJKXVANGCJFJ-NHYWBVRUSA-N 0 3 333.350 3.274 20 10 EGCDHN COCCN(Cc1cc(Cl)c(C(C)(C)C)cc1[O-])[C@@H]1CC[NH2+]C1 ZINC001236332849 1376950131 /nfs/dbraw/zinc/95/01/31/1376950131.db2.gz CAPMWGHMQFUJIQ-CQSZACIVSA-N 0 3 340.895 3.153 20 10 EGCDHN CCC(=O)N(CC)C1CCN(Cc2ccc3c(c2)CCCN3C)CC1 ZINC001138359042 1377709232 /nfs/dbraw/zinc/70/92/32/1377709232.db2.gz IQOKXUBIIINBGJ-UHFFFAOYSA-N 0 3 343.515 3.292 20 10 EGCDHN c1cc(N2CCOCC2)ccc1CN1CCOC[C@@H]1C1CCCCC1 ZINC001138500053 1377733695 /nfs/dbraw/zinc/73/36/95/1377733695.db2.gz SETNXTACCZMTAY-OAQYLSRUSA-N 0 3 344.499 3.304 20 10 EGCDHN CCOc1cc(CN2CCc3cccc(O)c3C2)ccc1OC(C)=O ZINC001139008894 1377817350 /nfs/dbraw/zinc/81/73/50/1377817350.db2.gz IOHBZYHPFLQNME-UHFFFAOYSA-N 0 3 341.407 3.275 20 10 EGCDHN COC(=O)c1cccc(CN(C)Cc2ccc(N(C)C)c(C)c2)c1 ZINC001139673188 1377931262 /nfs/dbraw/zinc/93/12/62/1377931262.db2.gz BUYALFJSDBQDQU-UHFFFAOYSA-N 0 3 326.440 3.480 20 10 EGCDHN Cc1cnc(O[C@@H]2CCCN(Cc3ccc(N(C)C)c(C)c3)C2)nc1 ZINC001139673502 1377931664 /nfs/dbraw/zinc/93/16/64/1377931664.db2.gz DEDNQINMVTYTRU-GOSISDBHSA-N 0 3 340.471 3.203 20 10 EGCDHN [O-]c1ccc(F)cc1C[N@@H+]1C[C@@H]2COC[C@]2(COCC2CCCC2)C1 ZINC001140055654 1377996872 /nfs/dbraw/zinc/99/68/72/1377996872.db2.gz ODHXBCBTBBHXRL-YLJYHZDGSA-N 0 3 349.446 3.187 20 10 EGCDHN [O-]c1ccc(F)cc1C[N@H+]1C[C@@H]2COC[C@]2(COCC2CCCC2)C1 ZINC001140055654 1377996873 /nfs/dbraw/zinc/99/68/73/1377996873.db2.gz ODHXBCBTBBHXRL-YLJYHZDGSA-N 0 3 349.446 3.187 20 10 EGCDHN COC(=O)[C@H]1C[N@H+](Cc2cc(F)ccc2[O-])C[C@@H]1c1ccc(F)cc1 ZINC001140060309 1377998604 /nfs/dbraw/zinc/99/86/04/1377998604.db2.gz VBEIEOFZHWJHOV-SJORKVTESA-N 0 3 347.361 3.059 20 10 EGCDHN COC(=O)[C@H]1C[N@@H+](Cc2cc(F)ccc2[O-])C[C@@H]1c1ccc(F)cc1 ZINC001140060309 1377998605 /nfs/dbraw/zinc/99/86/05/1377998605.db2.gz VBEIEOFZHWJHOV-SJORKVTESA-N 0 3 347.361 3.059 20 10 EGCDHN CN(CCc1ccc(F)cc1)Cc1ccc(N2CCOCC2)cc1F ZINC001140664092 1378110152 /nfs/dbraw/zinc/11/01/52/1378110152.db2.gz YJIKOFPCPXBILF-UHFFFAOYSA-N 0 3 346.421 3.476 20 10 EGCDHN Cc1c(O)ccc(CN2CCN(C3(c4ccccc4)CC3)CC2)c1O ZINC001140747631 1378129097 /nfs/dbraw/zinc/12/90/97/1378129097.db2.gz GWZCZUIWQFAEBG-UHFFFAOYSA-N 0 3 338.451 3.213 20 10 EGCDHN COc1ccc(Cl)c2c1C[C@@H]([NH2+]Cc1cccc(O)c1[O-])CC2 ZINC001171296431 1384488124 /nfs/dbraw/zinc/48/81/24/1384488124.db2.gz AZBMHEGTEHCIEF-LBPRGKRZSA-N 0 3 333.815 3.407 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCCC[C@H]2N(C)C)c1[O-] ZINC001319952345 1386413792 /nfs/dbraw/zinc/41/37/92/1386413792.db2.gz ZVVYPGZMCMBUIK-LSDHHAIUSA-N 0 3 341.293 3.426 20 10 EGCDHN CC(C)P(CCNC(=O)CCc1ccc(O)c(O)c1)C(C)C ZINC001182157663 1387114006 /nfs/dbraw/zinc/11/40/06/1387114006.db2.gz ZGPLFXNVZNANTI-UHFFFAOYSA-N 0 3 325.389 3.445 20 10 EGCDHN CN1CCN(c2ccc(CNc3nccn3-c3ccccc3)cc2)CC1 ZINC001340960741 1390413705 /nfs/dbraw/zinc/41/37/05/1390413705.db2.gz NFLIYDMOJJGQCG-UHFFFAOYSA-N 0 3 347.466 3.236 20 10 EGCDHN COc1ccc(CNC/C=C/CNC(=O)C2CC(C)(C)C2)cc1C ZINC001754117628 1440542604 /nfs/dbraw/zinc/54/26/04/1440542604.db2.gz LYHAUBAZJNIHJH-AATRIKPKSA-N 0 3 330.472 3.202 20 10 EGCDHN COc1ccc(CNC2(CNC(=O)[C@@H]3CCC[C@H]4C[C@H]43)CC2)cc1C ZINC001754518850 1440619224 /nfs/dbraw/zinc/61/92/24/1440619224.db2.gz JMAYEEVDUIYCRI-RCCFBDPRSA-N 0 3 342.483 3.178 20 10 EGCDHN Cc1ccccc1C[C@H](CO)NCc1cc(F)c(N(C)C)cc1F ZINC001331277204 1126175319 /nfs/dbraw/zinc/17/53/19/1126175319.db2.gz HOKAUDITVRPURD-MRXNPFEDSA-N 0 3 334.410 3.032 20 10 EGCDHN CC[S@](=O)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2cc(OC)ccc2[O-])C1 ZINC000185657514 455590650 /nfs/dbraw/zinc/59/06/50/455590650.db2.gz HMXMNKSIYNVACK-WNBORZDKSA-N 0 3 325.474 3.131 20 10 EGCDHN [O-]c1ccccc1C[NH2+]C[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000238101734 455253595 /nfs/dbraw/zinc/25/35/95/455253595.db2.gz NAEKDPJOWDUNRR-GOSISDBHSA-N 0 3 346.858 3.209 20 10 EGCDHN COc1ccc([O-])c(C[N@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000183381364 455285203 /nfs/dbraw/zinc/28/52/03/455285203.db2.gz WUXJKQBUQUDAEF-AWEZNQCLSA-N 0 3 338.411 3.175 20 10 EGCDHN COc1ccc([O-])c(C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000183381364 455285205 /nfs/dbraw/zinc/28/52/05/455285205.db2.gz WUXJKQBUQUDAEF-AWEZNQCLSA-N 0 3 338.411 3.175 20 10 EGCDHN CCN1CCN(c2cccc(NC(=O)c3cccc(F)c3F)c2)CC1 ZINC000184268959 455368231 /nfs/dbraw/zinc/36/82/31/455368231.db2.gz YEICBSXZOXHPTO-UHFFFAOYSA-N 0 3 345.393 3.359 20 10 EGCDHN CCOC(=O)CCCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000265837471 455390858 /nfs/dbraw/zinc/39/08/58/455390858.db2.gz VOZOINGCTMFODP-QGZVFWFLSA-N 0 3 335.444 3.107 20 10 EGCDHN CCOC(=O)CCCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000265837471 455390859 /nfs/dbraw/zinc/39/08/59/455390859.db2.gz VOZOINGCTMFODP-QGZVFWFLSA-N 0 3 335.444 3.107 20 10 EGCDHN CCOCc1cc(CNC[C@](C)(O)c2cc(C)oc2C)ccc1OC ZINC000174440299 455391701 /nfs/dbraw/zinc/39/17/01/455391701.db2.gz PMMPFCDXZATZAL-FQEVSTJZSA-N 0 3 347.455 3.439 20 10 EGCDHN COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC000077164719 454069491 /nfs/dbraw/zinc/06/94/91/454069491.db2.gz PCEDFDCWPUXKQC-CQSZACIVSA-N 0 3 331.437 3.026 20 10 EGCDHN COC(=O)C[C@@H]1CSCC[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC000077164719 454069495 /nfs/dbraw/zinc/06/94/95/454069495.db2.gz PCEDFDCWPUXKQC-CQSZACIVSA-N 0 3 331.437 3.026 20 10 EGCDHN C[C@@H](NCC(=O)N1CCc2sccc2C1)c1ccc(N(C)C)cc1 ZINC000089544384 454160647 /nfs/dbraw/zinc/16/06/47/454160647.db2.gz FEBVLPUULGEJEY-CQSZACIVSA-N 0 3 343.496 3.050 20 10 EGCDHN CCS(=O)(=O)C[C@H](C)N[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000089636314 454170684 /nfs/dbraw/zinc/17/06/84/454170684.db2.gz PBINBYSMVIWKIE-HOTGVXAUSA-N 0 3 338.517 3.151 20 10 EGCDHN CC[C@H](NCc1ccc(NC(N)=O)cc1)c1ccc(N(C)C)cc1 ZINC000130931175 454227050 /nfs/dbraw/zinc/22/70/50/454227050.db2.gz XQCCQYHNTXJVLL-SFHVURJKSA-N 0 3 326.444 3.484 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]C[C@](C)(O)c2cc(C)oc2C)c1[O-] ZINC000184709318 455433346 /nfs/dbraw/zinc/43/33/46/455433346.db2.gz RNINIYSHLFLWAM-KRWDZBQOSA-N 0 3 339.819 3.261 20 10 EGCDHN CN(C)CCSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 ZINC000073324481 454421071 /nfs/dbraw/zinc/42/10/71/454421071.db2.gz RXVPRJQOYOMWQY-MRXNPFEDSA-N 0 3 331.485 3.383 20 10 EGCDHN CC(C)NC(=O)CCN[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000133792906 454468634 /nfs/dbraw/zinc/46/86/34/454468634.db2.gz PMMOUVYIRIDENX-OAHLLOKOSA-N 0 3 335.467 3.381 20 10 EGCDHN CCCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c([O-])c1 ZINC000091960800 454495473 /nfs/dbraw/zinc/49/54/73/454495473.db2.gz HJLXZKVRWGRMDC-CRAIPNDOSA-N 0 3 329.444 3.461 20 10 EGCDHN CCCOc1ccc(C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c([O-])c1 ZINC000091960800 454495478 /nfs/dbraw/zinc/49/54/78/454495478.db2.gz HJLXZKVRWGRMDC-CRAIPNDOSA-N 0 3 329.444 3.461 20 10 EGCDHN CCOCCO[C@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000092067316 454512049 /nfs/dbraw/zinc/51/20/49/454512049.db2.gz SGSFVDKNFHYTDS-FQEVSTJZSA-N 0 3 332.488 3.304 20 10 EGCDHN O=C(/C=C/c1cncc(F)c1)N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000105369487 454637226 /nfs/dbraw/zinc/63/72/26/454637226.db2.gz KJAFVITXDUQAGJ-DVBCCOPCSA-N 0 3 337.398 3.245 20 10 EGCDHN CCCOc1ccc(C[NH+]2CCC(OCCCOC)CC2)c([O-])c1 ZINC000093561520 454721227 /nfs/dbraw/zinc/72/12/27/454721227.db2.gz YKZDDEJZSZXARE-UHFFFAOYSA-N 0 3 337.460 3.199 20 10 EGCDHN CN1CCO[C@@H]([C@H](NCc2ccccc2O)c2ccc(Cl)cc2)C1 ZINC000154338225 454886520 /nfs/dbraw/zinc/88/65/20/454886520.db2.gz QKWSCKNTBGEHQV-RTBURBONSA-N 0 3 346.858 3.207 20 10 EGCDHN CSCC[C@H](N)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000166472638 454913074 /nfs/dbraw/zinc/91/30/74/454913074.db2.gz VMEVBLSWNRSZNO-SFHVURJKSA-N 0 3 349.544 3.152 20 10 EGCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1C ZINC000179777657 455077792 /nfs/dbraw/zinc/07/77/92/455077792.db2.gz KGODWXYRJRWVET-INIZCTEOSA-N 0 3 336.439 3.431 20 10 EGCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1C ZINC000179777657 455077794 /nfs/dbraw/zinc/07/77/94/455077794.db2.gz KGODWXYRJRWVET-INIZCTEOSA-N 0 3 336.439 3.431 20 10 EGCDHN COc1cccc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)c1[O-] ZINC000237499763 455190025 /nfs/dbraw/zinc/19/00/25/455190025.db2.gz JMEKAAWGHYBTQI-IBGZPJMESA-N 0 3 341.407 3.413 20 10 EGCDHN CCOC[C@@H]1CC[N@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000180621812 455211466 /nfs/dbraw/zinc/21/14/66/455211466.db2.gz SIMHWFAAJHKIBR-GFCCVEGCSA-N 0 3 328.250 3.322 20 10 EGCDHN CCOC[C@@H]1CC[N@@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000180621812 455211469 /nfs/dbraw/zinc/21/14/69/455211469.db2.gz SIMHWFAAJHKIBR-GFCCVEGCSA-N 0 3 328.250 3.322 20 10 EGCDHN Cc1cc(N2CCC([NH2+][C@@H](C)c3ccccc3[O-])CC2)nc(C)n1 ZINC000183545431 455304416 /nfs/dbraw/zinc/30/44/16/455304416.db2.gz IGSUBRGBRYIOFW-AWEZNQCLSA-N 0 3 326.444 3.119 20 10 EGCDHN Cc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(C)cc2[O-])N2CCOCC2)o1 ZINC000184909627 455470278 /nfs/dbraw/zinc/47/02/78/455470278.db2.gz MSCDSUYEOBFDCU-WMZOPIPTSA-N 0 3 344.455 3.326 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](c2ccccc2)N2CCOCC2)c([O-])c1 ZINC000184919388 455472965 /nfs/dbraw/zinc/47/29/65/455472965.db2.gz YUQNECJTRZELFE-FXAWDEMLSA-N 0 3 340.467 3.425 20 10 EGCDHN Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])cn1 ZINC000185084619 455499217 /nfs/dbraw/zinc/49/92/17/455499217.db2.gz TZMIXFNLCDFZMH-GFCCVEGCSA-N 0 3 326.375 3.271 20 10 EGCDHN Cc1cc(C)c([C@H](C)NCc2cccnc2N2CCOCC2)c(O)c1 ZINC000284076795 455632813 /nfs/dbraw/zinc/63/28/13/455632813.db2.gz LQMDHUXLSWSXRT-INIZCTEOSA-N 0 3 341.455 3.091 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCC2(O)CCC2)c1[O-] ZINC000284441881 455686849 /nfs/dbraw/zinc/68/68/49/455686849.db2.gz SUMVBLGHZGOMBX-LLVKDONJSA-N 0 3 328.250 3.419 20 10 EGCDHN C[C@@H]([NH2+]CCCNC(=O)C1CCC1)c1cc2c(cc1[O-])CCCC2 ZINC000186091945 455692541 /nfs/dbraw/zinc/69/25/41/455692541.db2.gz GFARKQTZJMNBCR-CQSZACIVSA-N 0 3 330.472 3.228 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)c([O-])c1 ZINC000186127422 455699023 /nfs/dbraw/zinc/69/90/23/455699023.db2.gz BSMDCAHPHTUXNA-IPELMVKDSA-N 0 3 332.488 3.119 20 10 EGCDHN COc1cccc([C@H](C[NH2+][C@H](C)c2cc(OC)ccc2[O-])N(C)C)c1 ZINC000192865511 455708333 /nfs/dbraw/zinc/70/83/33/455708333.db2.gz NIXNCWYHKCKCSL-KUHUBIRLSA-N 0 3 344.455 3.363 20 10 EGCDHN C[C@@H](NC[C@H](O)c1ccccc1F)c1ccc(N2CCOCC2)cc1 ZINC000268826188 455715212 /nfs/dbraw/zinc/71/52/12/455715212.db2.gz YYZGZORUBWCQEU-QRWLVFNGSA-N 0 3 344.430 3.047 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](c2ccco2)N2CCCC2)c1 ZINC000192916334 455716578 /nfs/dbraw/zinc/71/65/78/455716578.db2.gz UHZSKMUYDDXARC-YOEHRIQHSA-N 0 3 330.428 3.482 20 10 EGCDHN Cc1cc(CN2CCC[C@@](O)(C(F)(F)F)CC2)ccc1N(C)C ZINC000293443090 455786482 /nfs/dbraw/zinc/78/64/82/455786482.db2.gz CBPHIRGYDOPJLO-INIZCTEOSA-N 0 3 330.394 3.340 20 10 EGCDHN Cc1cccc(C[NH2+][C@H]2CC(=O)N(C)[C@H]2c2ccc(F)c(F)c2)c1[O-] ZINC000271877095 455795456 /nfs/dbraw/zinc/79/54/56/455795456.db2.gz ZRJJEKDHZVZRFB-WMZOPIPTSA-N 0 3 346.377 3.040 20 10 EGCDHN O=C(NCC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-])C1CC1 ZINC000293753512 455795787 /nfs/dbraw/zinc/79/57/87/455795787.db2.gz OIRHAGYCLCMYLD-LJQANCHMSA-N 0 3 338.451 3.182 20 10 EGCDHN CC[N@H+](Cc1cccnc1N)Cc1cc(Br)ccc1[O-] ZINC000294841654 455830198 /nfs/dbraw/zinc/83/01/98/455830198.db2.gz BMQUDOFXMWMMCQ-UHFFFAOYSA-N 0 3 336.233 3.154 20 10 EGCDHN CC[N@@H+](Cc1cccnc1N)Cc1cc(Br)ccc1[O-] ZINC000294841654 455830204 /nfs/dbraw/zinc/83/02/04/455830204.db2.gz BMQUDOFXMWMMCQ-UHFFFAOYSA-N 0 3 336.233 3.154 20 10 EGCDHN CCN(C)c1ccc([C@@H](C)NCc2ccc(NC(C)=O)nc2)cc1 ZINC000279081543 455857997 /nfs/dbraw/zinc/85/79/97/455857997.db2.gz MSKODEWROOQKBR-CQSZACIVSA-N 0 3 326.444 3.347 20 10 EGCDHN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CCCN1C1CC1 ZINC000279726732 455871596 /nfs/dbraw/zinc/87/15/96/455871596.db2.gz MYRBULZSOCBGIN-HXUWFJFHSA-N 0 3 341.499 3.262 20 10 EGCDHN CCCOc1ccc(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2)c([O-])c1 ZINC000270298377 455923171 /nfs/dbraw/zinc/92/31/71/455923171.db2.gz RBZABGLZYTVHLW-LJQANCHMSA-N 0 3 333.403 3.317 20 10 EGCDHN CC[C@@H]([NH2+]CCn1cc(Br)cn1)c1ccc(C)cc1[O-] ZINC000285838288 455926042 /nfs/dbraw/zinc/92/60/42/455926042.db2.gz YFPJBOUHIBVWDT-CQSZACIVSA-N 0 3 338.249 3.401 20 10 EGCDHN C[C@H]1O[C@@H](C)C[C@H]1NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000296451097 455942603 /nfs/dbraw/zinc/94/26/03/455942603.db2.gz OENPLBJHWBPQPL-PQHDGLIZSA-N 0 3 336.451 3.095 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000187986483 455976585 /nfs/dbraw/zinc/97/65/85/455976585.db2.gz JGRZIENFMRXTER-AEFFLSMTSA-N 0 3 327.424 3.222 20 10 EGCDHN Cc1ccc([C@H](C)NCc2ccncc2OC[C@H]2CCOC2)c(O)c1 ZINC000287381932 456068238 /nfs/dbraw/zinc/06/82/38/456068238.db2.gz PNBVALBZIWMOIF-HOTGVXAUSA-N 0 3 342.439 3.362 20 10 EGCDHN Cc1ccc([C@@H](C)NCc2ccncc2OC[C@H]2CCOC2)c(O)c1 ZINC000287381930 456068284 /nfs/dbraw/zinc/06/82/84/456068284.db2.gz PNBVALBZIWMOIF-CVEARBPZSA-N 0 3 342.439 3.362 20 10 EGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)c1 ZINC000287730817 456076743 /nfs/dbraw/zinc/07/67/43/456076743.db2.gz YKKDONJPZSUFDN-CVEARBPZSA-N 0 3 331.460 3.031 20 10 EGCDHN CN(C)c1ccc(CN2CCC[C@@H](c3noc(C4CC4)n3)C2)cc1 ZINC000271210208 456174872 /nfs/dbraw/zinc/17/48/72/456174872.db2.gz LMMAONHFPOZDJG-MRXNPFEDSA-N 0 3 326.444 3.393 20 10 EGCDHN Cc1ccc(O)c(CN[C@@H](CO)c2ccc(Br)cc2)c1 ZINC000271212962 456176789 /nfs/dbraw/zinc/17/67/89/456176789.db2.gz IDJLUWBOPUYQNE-HNNXBMFYSA-N 0 3 336.229 3.286 20 10 EGCDHN CCOc1ccc([O-])c(C[NH2+]Cc2ccccc2Cn2ccnc2)c1 ZINC000263709774 456198979 /nfs/dbraw/zinc/19/89/79/456198979.db2.gz TVEKLZAGEHPBKA-UHFFFAOYSA-N 0 3 337.423 3.326 20 10 EGCDHN C[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])C(=O)NC(C)(C)C ZINC000263722535 456202865 /nfs/dbraw/zinc/20/28/65/456202865.db2.gz WOVOHLUMOPKKSY-CQSZACIVSA-N 0 3 326.440 3.452 20 10 EGCDHN C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cc(F)ccc1[O-] ZINC000273374659 456227182 /nfs/dbraw/zinc/22/71/82/456227182.db2.gz GWVCIOMODIOJBZ-CQSZACIVSA-N 0 3 330.403 3.219 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)c([O-])c1C ZINC000273476574 456233626 /nfs/dbraw/zinc/23/36/26/456233626.db2.gz KWARFAPDXSJBKH-ZYSHUDEJSA-N 0 3 332.488 3.037 20 10 EGCDHN Cc1c([C@@H](C)NCc2ccc(N3CCOCC3)cc2)cnn1C(C)C ZINC000276395861 456467831 /nfs/dbraw/zinc/46/78/31/456467831.db2.gz RZWQTERCHWPMRO-MRXNPFEDSA-N 0 3 342.487 3.460 20 10 EGCDHN CCOc1ccc([O-])c(C[NH2+]Cc2ccc(COCCOC)cc2)c1 ZINC000291067830 456518188 /nfs/dbraw/zinc/51/81/88/456518188.db2.gz QSSGSGFHALKSCC-UHFFFAOYSA-N 0 3 345.439 3.244 20 10 EGCDHN CCOc1ccc(O)c(CNCc2ccc(COCCOC)cc2)c1 ZINC000291067830 456518192 /nfs/dbraw/zinc/51/81/92/456518192.db2.gz QSSGSGFHALKSCC-UHFFFAOYSA-N 0 3 345.439 3.244 20 10 EGCDHN CCCOc1ccc(C[NH2+]CCOCC(F)(F)C(F)F)c([O-])c1 ZINC000277455258 456830902 /nfs/dbraw/zinc/83/09/02/456830902.db2.gz HCQCDUYKLGJJSM-UHFFFAOYSA-N 0 3 339.329 3.188 20 10 EGCDHN COc1cc(O)c(CN2CC[C@H](Oc3ccc(F)cc3)C2)cc1OC ZINC000367830392 457984306 /nfs/dbraw/zinc/98/43/06/457984306.db2.gz HEMXAUAMCNWZGA-INIZCTEOSA-N 0 3 347.386 3.202 20 10 EGCDHN COc1ccc2c(c1)C1(CC1)CN(Cc1cccc(OC)c1O)C2 ZINC000367957425 458000750 /nfs/dbraw/zinc/00/07/50/458000750.db2.gz PURSDFJPJBJQRK-UHFFFAOYSA-N 0 3 325.408 3.457 20 10 EGCDHN Cc1cccc(CNc2cccc3c2CCN(CC(C)(C)O)C3)c1O ZINC000371811433 458083634 /nfs/dbraw/zinc/08/36/34/458083634.db2.gz VTEMEEZUNRQHNA-UHFFFAOYSA-N 0 3 340.467 3.442 20 10 EGCDHN CC(=O)c1cc(F)cc(CN2CCCC3(CC[NH+](C)CC3)C2)c1[O-] ZINC000376382853 458284081 /nfs/dbraw/zinc/28/40/81/458284081.db2.gz FFWHFEGEFRUALI-UHFFFAOYSA-N 0 3 334.435 3.042 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+][C@H]2Cc3ccccc3NC2=O)c2c1c(F)ccc2[O-] ZINC000528002975 459793085 /nfs/dbraw/zinc/79/30/85/459793085.db2.gz UIIPBHWWCOGJOU-ONERCXAPSA-N 0 3 326.371 3.233 20 10 EGCDHN O=C(C[N@@H+](Cc1ccccc1[O-])C1CCCC1)NC(C1CC1)C1CC1 ZINC000731845715 575211839 /nfs/dbraw/zinc/21/18/39/575211839.db2.gz IJCQMKFHECHNBG-UHFFFAOYSA-N 0 3 342.483 3.442 20 10 EGCDHN O=C(C[N@H+](Cc1ccccc1[O-])C1CCCC1)NC(C1CC1)C1CC1 ZINC000731845715 575211842 /nfs/dbraw/zinc/21/18/42/575211842.db2.gz IJCQMKFHECHNBG-UHFFFAOYSA-N 0 3 342.483 3.442 20 10 EGCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCN1CCC(C)CC1 ZINC000046370270 1291535751 /nfs/dbraw/zinc/53/57/51/1291535751.db2.gz CCJQFWGCIABFNI-UHFFFAOYSA-N 0 3 346.519 3.016 20 10 EGCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NCCc1cccs1 ZINC000076074421 1292418268 /nfs/dbraw/zinc/41/82/68/1292418268.db2.gz JTYSKMKATRIDIC-OAHLLOKOSA-N 0 3 346.496 3.413 20 10 EGCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NCCc1cccs1 ZINC000076074421 1292418275 /nfs/dbraw/zinc/41/82/75/1292418275.db2.gz JTYSKMKATRIDIC-OAHLLOKOSA-N 0 3 346.496 3.413 20 10 EGCDHN CN(CC[NH2+]Cc1cc(Br)ccc1[O-])C1CCCC1 ZINC000105497474 1293041018 /nfs/dbraw/zinc/04/10/18/1293041018.db2.gz VHWDVSOIJYYMAJ-UHFFFAOYSA-N 0 3 327.266 3.119 20 10 EGCDHN CCCN(CC(=O)NCc1cccc(C)c1)Cc1ccccc1O ZINC000111214360 1293102422 /nfs/dbraw/zinc/10/24/22/1293102422.db2.gz LNQZIZPPWVQSGD-UHFFFAOYSA-N 0 3 326.440 3.229 20 10 EGCDHN [O-]c1cccc2c1[C@@H]([NH2+]CC1(N3CCSCC3)CCCC1)CC2 ZINC000834508585 1293108332 /nfs/dbraw/zinc/10/83/32/1293108332.db2.gz NYFJBECCVYETJS-INIZCTEOSA-N 0 3 332.513 3.331 20 10 EGCDHN COc1cc([C@H](C)[NH2+][C@H]2CCc3cccc([O-])c32)ccc1OCCO ZINC000834530694 1293112046 /nfs/dbraw/zinc/11/20/46/1293112046.db2.gz JKNUZWBWIUGJHV-BBRMVZONSA-N 0 3 343.423 3.110 20 10 EGCDHN Cc1ccncc1CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000834886339 1293163856 /nfs/dbraw/zinc/16/38/56/1293163856.db2.gz CGJAUPQQBSIHGA-HNNXBMFYSA-N 0 3 329.419 3.217 20 10 EGCDHN C[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)C(=O)N1c2ccccc2C[C@@H]1C ZINC000834903040 1293170243 /nfs/dbraw/zinc/17/02/43/1293170243.db2.gz HKHMGMHPYMJKFE-ZQIUZPCESA-N 0 3 336.435 3.335 20 10 EGCDHN CCC(C)(C)OCC[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000835085818 1293205028 /nfs/dbraw/zinc/20/50/28/1293205028.db2.gz ZDOIWSRLNPKBBM-UHFFFAOYSA-N 0 3 346.265 3.458 20 10 EGCDHN CC[C@H]([NH2+]C[C@H](O)c1cc(OC)ccc1OC)c1ccccc1[O-] ZINC000121082025 1293353928 /nfs/dbraw/zinc/35/39/28/1293353928.db2.gz VDCSZVCQTNVEDM-WMZOPIPTSA-N 0 3 331.412 3.184 20 10 EGCDHN CC[NH+](CC)C1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000121646857 1293382473 /nfs/dbraw/zinc/38/24/73/1293382473.db2.gz VJLFOVHKGFXUSE-UHFFFAOYSA-N 0 3 341.293 3.461 20 10 EGCDHN CCC(=O)N1CCCN(Cc2cc(C)cc(C(C)(C)C)c2O)CC1 ZINC000128729675 1293603753 /nfs/dbraw/zinc/60/37/53/1293603753.db2.gz WXUWYOHNBMIRNR-UHFFFAOYSA-N 0 3 332.488 3.442 20 10 EGCDHN CC[NH+](CC)[C@@H]1CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000134062174 1293761351 /nfs/dbraw/zinc/76/13/51/1293761351.db2.gz NOSNBYRMICRRIB-CQSZACIVSA-N 0 3 327.266 3.071 20 10 EGCDHN CC[C@H]([NH2+]Cc1ccccc1N1CCOCC1)c1ccccc1[O-] ZINC000155377316 1294094140 /nfs/dbraw/zinc/09/41/40/1294094140.db2.gz FNVIHTICLIGTEW-SFHVURJKSA-N 0 3 326.440 3.470 20 10 EGCDHN COc1ccc(CN(C)Cc2cc(OC)c(OC)cc2O)cc1F ZINC000158837924 1294216215 /nfs/dbraw/zinc/21/62/15/1294216215.db2.gz UPVRFHVCVFTLRP-UHFFFAOYSA-N 0 3 335.375 3.189 20 10 EGCDHN CN(C)c1ccc(CNC[C@](O)(c2ccccc2)C(F)(F)F)cc1 ZINC000170790913 1294382577 /nfs/dbraw/zinc/38/25/77/1294382577.db2.gz DEEDQRSLYROQAG-KRWDZBQOSA-N 0 3 338.373 3.292 20 10 EGCDHN CC(C)(C)OC(=O)CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000182159616 1295022742 /nfs/dbraw/zinc/02/27/42/1295022742.db2.gz UDDHTBJJIPQDAZ-KRWDZBQOSA-N 0 3 349.471 3.495 20 10 EGCDHN CC(C)(C)OC(=O)CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000182159616 1295022755 /nfs/dbraw/zinc/02/27/55/1295022755.db2.gz UDDHTBJJIPQDAZ-KRWDZBQOSA-N 0 3 349.471 3.495 20 10 EGCDHN CCN(C(=O)CN[C@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000182318068 1295035264 /nfs/dbraw/zinc/03/52/64/1295035264.db2.gz HCMCZPCTABPPGL-CQSZACIVSA-N 0 3 328.412 3.105 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N(c3c(F)cccc3F)C2)c([O-])c1 ZINC000185855811 1295290098 /nfs/dbraw/zinc/29/00/98/1295290098.db2.gz WHNVXNRXKQKNBQ-QWHCGFSZSA-N 0 3 346.377 3.435 20 10 EGCDHN CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000189964977 1295553976 /nfs/dbraw/zinc/55/39/76/1295553976.db2.gz BJIIRWZTWPLQBN-OALUTQOASA-N 0 3 327.424 3.220 20 10 EGCDHN COc1ccc(OC)c([C@H](O)[C@H](C)[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000872134279 1296759391 /nfs/dbraw/zinc/75/93/91/1296759391.db2.gz BMEJQTSMPGPUGD-BXJCWQANSA-N 0 3 343.423 3.108 20 10 EGCDHN COc1ccc(CN[C@@H](C)c2cnccc2C)cc1Cn1cccn1 ZINC000873098955 1297273471 /nfs/dbraw/zinc/27/34/71/1297273471.db2.gz PROGJJVBIGKWRB-INIZCTEOSA-N 0 3 336.439 3.494 20 10 EGCDHN CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000382433105 1297559073 /nfs/dbraw/zinc/55/90/73/1297559073.db2.gz SLAKERBTMZYISY-SWLSCSKDSA-N 0 3 338.423 3.314 20 10 EGCDHN C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000701927303 1298191532 /nfs/dbraw/zinc/19/15/32/1298191532.db2.gz CTYBCIBTMZMYFP-NEPJUHHUSA-N 0 3 326.412 3.437 20 10 EGCDHN CCOc1cccc(CN[C@@H](CC(=O)N(C)C)c2ccccc2)c1O ZINC000725846957 1298374122 /nfs/dbraw/zinc/37/41/22/1298374122.db2.gz ZUCRJNAFDMJEEN-KRWDZBQOSA-N 0 3 342.439 3.100 20 10 EGCDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000876811015 1299004118 /nfs/dbraw/zinc/00/41/18/1299004118.db2.gz FXAAYJOKZQUNOD-HUUCEWRRSA-N 0 3 334.460 3.436 20 10 EGCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000876811015 1299004126 /nfs/dbraw/zinc/00/41/26/1299004126.db2.gz FXAAYJOKZQUNOD-HUUCEWRRSA-N 0 3 334.460 3.436 20 10 EGCDHN Cc1ccc(C[NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)c([O-])c1 ZINC000876992081 1299103790 /nfs/dbraw/zinc/10/37/90/1299103790.db2.gz YWHLYNGWRHQXGZ-MRXNPFEDSA-N 0 3 341.329 3.422 20 10 EGCDHN COc1ccc(N2CCC([NH2+]Cc3c(C)cccc3[O-])CC2)cc1 ZINC000876999764 1299108401 /nfs/dbraw/zinc/10/84/01/1299108401.db2.gz YBFRBQXALWDSKD-UHFFFAOYSA-N 0 3 326.440 3.468 20 10 EGCDHN COc1ccccc1N1CC[C@@H](C[NH2+]Cc2ccc(C)cc2[O-])C1 ZINC000876998195 1299108680 /nfs/dbraw/zinc/10/86/80/1299108680.db2.gz CZRQVLKIZWNICE-INIZCTEOSA-N 0 3 326.440 3.325 20 10 EGCDHN C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc([O-])cs1 ZINC000749543203 1299234298 /nfs/dbraw/zinc/23/42/98/1299234298.db2.gz LGKNBWZXJTXWBJ-BBRMVZONSA-N 0 3 330.453 3.094 20 10 EGCDHN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc([O-])cs1 ZINC000749543203 1299234304 /nfs/dbraw/zinc/23/43/04/1299234304.db2.gz LGKNBWZXJTXWBJ-BBRMVZONSA-N 0 3 330.453 3.094 20 10 EGCDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C1=CC(=O)CS1 ZINC000749543203 1299234309 /nfs/dbraw/zinc/23/43/09/1299234309.db2.gz LGKNBWZXJTXWBJ-BBRMVZONSA-N 0 3 330.453 3.094 20 10 EGCDHN C[C@H](c1ccncc1)N(C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877317558 1299246647 /nfs/dbraw/zinc/24/66/47/1299246647.db2.gz RQDPBRQJSAPMCA-MRXNPFEDSA-N 0 3 325.456 3.236 20 10 EGCDHN Cc1ccc(CN2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]32)c(O)c1 ZINC000877598236 1299423023 /nfs/dbraw/zinc/42/30/23/1299423023.db2.gz AHFJWSBADURQEN-HOCLYGCPSA-N 0 3 332.444 3.142 20 10 EGCDHN C[C@@H]1C[C@H](NC(=O)c2cc([O-])cs2)CC[N@@H+]1Cc1ccccc1 ZINC000751071052 1299507937 /nfs/dbraw/zinc/50/79/37/1299507937.db2.gz RKLPZHNLXDDJQO-UKRRQHHQSA-N 0 3 330.453 3.237 20 10 EGCDHN C[C@@H]1C[C@H](NC(=O)c2cc([O-])cs2)CC[N@H+]1Cc1ccccc1 ZINC000751071052 1299507945 /nfs/dbraw/zinc/50/79/45/1299507945.db2.gz RKLPZHNLXDDJQO-UKRRQHHQSA-N 0 3 330.453 3.237 20 10 EGCDHN C[C@@H]1C[C@H](NC(=O)C2=CC(=O)CS2)CCN1Cc1ccccc1 ZINC000751071052 1299507953 /nfs/dbraw/zinc/50/79/53/1299507953.db2.gz RKLPZHNLXDDJQO-UKRRQHHQSA-N 0 3 330.453 3.237 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3ccnc3)nc2)c2c1c(F)ccc2[O-] ZINC000756393971 1300483472 /nfs/dbraw/zinc/48/34/72/1300483472.db2.gz UVZKMLBNWCXJCH-IUODEOHRSA-N 0 3 338.386 3.450 20 10 EGCDHN COCCOc1ncccc1CN[C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756432193 1300490410 /nfs/dbraw/zinc/49/04/10/1300490410.db2.gz PYLPPBQBILTVHP-DOMZBBRYSA-N 0 3 346.402 3.290 20 10 EGCDHN Cc1cccc(C(=O)NCC[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)c1 ZINC000756461389 1300497407 /nfs/dbraw/zinc/49/74/07/1300497407.db2.gz SGSNOYQXKCIMBP-BBRMVZONSA-N 0 3 342.414 3.408 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+]C2CCN(C[C@@H]3CCCO3)CC2)c2c1c(F)ccc2[O-] ZINC000756570835 1300524274 /nfs/dbraw/zinc/52/42/74/1300524274.db2.gz BNGKLXWKNIMSKG-KMFMINBZSA-N 0 3 348.462 3.313 20 10 EGCDHN C[C@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)c1cc(Br)ccc1[O-] ZINC000756609972 1300531670 /nfs/dbraw/zinc/53/16/70/1300531670.db2.gz GRGBTDPVZHKHOR-MDZLAQPJSA-N 0 3 327.266 3.288 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccccn3)C2)c2c1c(F)ccc2[O-] ZINC000756769541 1300562624 /nfs/dbraw/zinc/56/26/24/1300562624.db2.gz FYPCUVOHPTZWLT-IPYPFGDCSA-N 0 3 327.403 3.343 20 10 EGCDHN CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000879648590 1300647909 /nfs/dbraw/zinc/64/79/09/1300647909.db2.gz VGXCHELHOWPELN-CHWSQXEVSA-N 0 3 341.411 3.028 20 10 EGCDHN C[C@@H](NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-])c1ccc(F)cc1 ZINC000879649356 1300650195 /nfs/dbraw/zinc/65/01/95/1300650195.db2.gz QYZWGYGFAVVJMH-MCIONIFRSA-N 0 3 330.403 3.448 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)C(=O)NCC3)c2c1c(F)ccc2[O-] ZINC000757660661 1300705841 /nfs/dbraw/zinc/70/58/41/1300705841.db2.gz IPLMTPGHUKSSCW-BZNIZROVSA-N 0 3 340.398 3.155 20 10 EGCDHN COc1cccc(CN[C@@H](CO)c2ccc(C(F)(F)F)cc2)c1O ZINC000758633352 1300927691 /nfs/dbraw/zinc/92/76/91/1300927691.db2.gz VIGYPEKFKGKGOM-AWEZNQCLSA-N 0 3 341.329 3.243 20 10 EGCDHN C[C@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccsc1 ZINC000765252839 1302228851 /nfs/dbraw/zinc/22/88/51/1302228851.db2.gz JFHMXFHAPPZQSU-HOCLYGCPSA-N 0 3 343.496 3.301 20 10 EGCDHN Cc1cc(F)c(CNCc2ccc(N3CCN(C)CC3)cc2)c(F)c1 ZINC000883283675 1302360737 /nfs/dbraw/zinc/36/07/37/1302360737.db2.gz OCUSFDFETFGILQ-UHFFFAOYSA-N 0 3 345.437 3.315 20 10 EGCDHN C[C@H](NCc1cnn(CC(F)(F)F)c1)c1ccc(N(C)C)cc1 ZINC000766609391 1302485999 /nfs/dbraw/zinc/48/59/99/1302485999.db2.gz YXGLAEJDXUTFDA-LBPRGKRZSA-N 0 3 326.366 3.362 20 10 EGCDHN CCOc1ccc(C[N@H+](CCC(=O)OC)Cc2ccccc2)c([O-])c1 ZINC000768421261 1302899368 /nfs/dbraw/zinc/89/93/68/1302899368.db2.gz LPOPEXDGVWLTRW-UHFFFAOYSA-N 0 3 343.423 3.356 20 10 EGCDHN CCOc1ccc(C[N@@H+](CCC(=O)OC)Cc2ccccc2)c([O-])c1 ZINC000768421261 1302899375 /nfs/dbraw/zinc/89/93/75/1302899375.db2.gz LPOPEXDGVWLTRW-UHFFFAOYSA-N 0 3 343.423 3.356 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1cccc(F)c1)[C@@H](O)CO2 ZINC000768442590 1302903112 /nfs/dbraw/zinc/90/31/12/1302903112.db2.gz MGNMDXSPRNZKSL-AEFFLSMTSA-N 0 3 329.371 3.294 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1c1cccc(F)c1)[C@@H](O)CO2 ZINC000768442590 1302903120 /nfs/dbraw/zinc/90/31/20/1302903120.db2.gz MGNMDXSPRNZKSL-AEFFLSMTSA-N 0 3 329.371 3.294 20 10 EGCDHN CC(C)N(Cc1ccccc1F)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768441161 1302904795 /nfs/dbraw/zinc/90/47/95/1302904795.db2.gz WKITXDACAJLSOW-SFHVURJKSA-N 0 3 331.387 3.368 20 10 EGCDHN CC(C)[N@H+](Cc1ccccc1F)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768441161 1302904805 /nfs/dbraw/zinc/90/48/05/1302904805.db2.gz WKITXDACAJLSOW-SFHVURJKSA-N 0 3 331.387 3.368 20 10 EGCDHN CC(C)[N@@H+](Cc1ccccc1F)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768441161 1302904813 /nfs/dbraw/zinc/90/48/13/1302904813.db2.gz WKITXDACAJLSOW-SFHVURJKSA-N 0 3 331.387 3.368 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCCC[C@@H]1Cc1ccccc1)[C@H](O)CO2 ZINC000768445256 1302907905 /nfs/dbraw/zinc/90/79/05/1302907905.db2.gz RCMGJWCFPATAJA-YLJYHZDGSA-N 0 3 339.435 3.415 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CCCC[C@@H]1Cc1ccccc1)[C@H](O)CO2 ZINC000768445256 1302907914 /nfs/dbraw/zinc/90/79/14/1302907914.db2.gz RCMGJWCFPATAJA-YLJYHZDGSA-N 0 3 339.435 3.415 20 10 EGCDHN CCOc1ccc(CN(C)Cc2cc(OC)cc(OC)c2)c(O)c1 ZINC000768545335 1302929900 /nfs/dbraw/zinc/92/99/00/1302929900.db2.gz YDDJSRCVEBWLDH-UHFFFAOYSA-N 0 3 331.412 3.440 20 10 EGCDHN CCOc1ccc(C[N@H+](C)Cc2cc(OC)cc(OC)c2)c([O-])c1 ZINC000768545335 1302929907 /nfs/dbraw/zinc/92/99/07/1302929907.db2.gz YDDJSRCVEBWLDH-UHFFFAOYSA-N 0 3 331.412 3.440 20 10 EGCDHN CCOc1ccc(C[N@@H+](C)Cc2cc(OC)cc(OC)c2)c([O-])c1 ZINC000768545335 1302929914 /nfs/dbraw/zinc/92/99/14/1302929914.db2.gz YDDJSRCVEBWLDH-UHFFFAOYSA-N 0 3 331.412 3.440 20 10 EGCDHN C[C@H](CNC(=O)OC(C)(C)C)N(C)Cc1ccc(N(C)C)c(F)c1 ZINC000769402159 1303107245 /nfs/dbraw/zinc/10/72/45/1303107245.db2.gz WBFQYNGRKNVMCF-CYBMUJFWSA-N 0 3 339.455 3.237 20 10 EGCDHN COc1ccc(O)c(CN2CCN(Cc3ccccc3)C[C@H]2C)c1 ZINC000775695293 1304017245 /nfs/dbraw/zinc/01/72/45/1304017245.db2.gz KONULXFPHMOMSY-MRXNPFEDSA-N 0 3 326.440 3.107 20 10 EGCDHN C[C@@H](NC(=O)N(CCN(C)C)C1CCCC1)c1ccc(N(C)C)cc1 ZINC000776236929 1304118644 /nfs/dbraw/zinc/11/86/44/1304118644.db2.gz CXWSKHBMOPKTOP-MRXNPFEDSA-N 0 3 346.519 3.329 20 10 EGCDHN C[C@H](NCCOC1CCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000777121644 1304254834 /nfs/dbraw/zinc/25/48/34/1304254834.db2.gz OPZCNKDTZHHVNE-AWEZNQCLSA-N 0 3 338.879 3.396 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2O)c1[O-] ZINC000779024225 1304519358 /nfs/dbraw/zinc/51/93/58/1304519358.db2.gz KWDASDRUWLZCLH-ZLKJLUDKSA-N 0 3 328.250 3.417 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2O)c1[O-] ZINC000779024219 1304519915 /nfs/dbraw/zinc/51/99/15/1304519915.db2.gz KWDASDRUWLZCLH-BPNCWPANSA-N 0 3 328.250 3.417 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](CCO)C2CC2)c1[O-] ZINC000779031512 1304520459 /nfs/dbraw/zinc/52/04/59/1304520459.db2.gz IOEWHGJXURVGGX-YGRLFVJLSA-N 0 3 328.250 3.275 20 10 EGCDHN COCCOC[C@@H](C)[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000779036448 1304521504 /nfs/dbraw/zinc/52/15/04/1304521504.db2.gz OIQWPCYPGJGHJA-VXGBXAGGSA-N 0 3 346.265 3.165 20 10 EGCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](C(C)(C)C(=O)OC)C2)c([O-])c1 ZINC000779604134 1304586686 /nfs/dbraw/zinc/58/66/86/1304586686.db2.gz HNCUOQNVUWFMQQ-OAHLLOKOSA-N 0 3 335.444 3.202 20 10 EGCDHN CCOc1ccc(C[N@H+]2CCC[C@@H](C(C)(C)C(=O)OC)C2)c([O-])c1 ZINC000779604134 1304586690 /nfs/dbraw/zinc/58/66/90/1304586690.db2.gz HNCUOQNVUWFMQQ-OAHLLOKOSA-N 0 3 335.444 3.202 20 10 EGCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCCC3(CCCC3)C2)cc1 ZINC000782637286 1304996672 /nfs/dbraw/zinc/99/66/72/1304996672.db2.gz QAFRUOUFXFTBOQ-UHFFFAOYSA-N 0 3 343.515 3.367 20 10 EGCDHN C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1)c1ccccc1[O-] ZINC000783489382 1305097873 /nfs/dbraw/zinc/09/78/73/1305097873.db2.gz COPXQJUQFWZYJK-RDJZCZTQSA-N 0 3 345.512 3.093 20 10 EGCDHN Cc1cc(Br)cc(C[NH+]2CCC(CCCO)CC2)c1[O-] ZINC000783600224 1305114645 /nfs/dbraw/zinc/11/46/45/1305114645.db2.gz WTUCXOVJQSVCPG-UHFFFAOYSA-N 0 3 342.277 3.448 20 10 EGCDHN [O-]c1ccc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)cc1F ZINC000892612401 1305470334 /nfs/dbraw/zinc/47/03/34/1305470334.db2.gz ILNDFVYGPJWXAG-UHFFFAOYSA-N 0 3 332.444 3.374 20 10 EGCDHN CCOc1ccc(CN2CCC[C@@H](Oc3ncccc3F)C2)c(O)c1 ZINC000787288717 1305726773 /nfs/dbraw/zinc/72/67/73/1305726773.db2.gz BGBLOAJGZVRXAH-MRXNPFEDSA-N 0 3 346.402 3.368 20 10 EGCDHN NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000787422666 1305743331 /nfs/dbraw/zinc/74/33/31/1305743331.db2.gz IJLKWSUALBWGPN-KPFFTGBYSA-N 0 3 336.435 3.145 20 10 EGCDHN NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000787422666 1305743337 /nfs/dbraw/zinc/74/33/37/1305743337.db2.gz IJLKWSUALBWGPN-KPFFTGBYSA-N 0 3 336.435 3.145 20 10 EGCDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000788533390 1305964604 /nfs/dbraw/zinc/96/46/04/1305964604.db2.gz YBCOFSYANGFLGZ-MRXNPFEDSA-N 0 3 326.440 3.407 20 10 EGCDHN [O-]c1c(Br)cccc1C[NH2+]CCc1ccc2cn[nH]c2c1 ZINC000790619859 1306364175 /nfs/dbraw/zinc/36/41/75/1306364175.db2.gz UJBBPCCYOORWKB-UHFFFAOYSA-N 0 3 346.228 3.363 20 10 EGCDHN COc1cc(C)cc(CNCC(=O)Nc2c(C)cc(C)cc2C)c1O ZINC000894382346 1306370138 /nfs/dbraw/zinc/37/01/38/1306370138.db2.gz SFOKRMUJRNHALL-UHFFFAOYSA-N 0 3 342.439 3.363 20 10 EGCDHN CN(C)c1ccc(CN2CC[C@]3(CCOC3)C2)c(C(F)(F)F)c1 ZINC000792834402 1309241775 /nfs/dbraw/zinc/24/17/75/1309241775.db2.gz IELLVXNSRYWBPZ-INIZCTEOSA-N 0 3 328.378 3.384 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]C[C@H](O)c2c(F)cccc2F)c1[O-] ZINC000895747228 1309501474 /nfs/dbraw/zinc/50/14/74/1309501474.db2.gz GINWKKSXVKCDBB-ZDUSSCGKSA-N 0 3 343.757 3.156 20 10 EGCDHN O=C1NCCCC[C@@H]1NCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796264277 1309947056 /nfs/dbraw/zinc/94/70/56/1309947056.db2.gz MLSXCSJUELPWOI-FQEVSTJZSA-N 0 3 349.478 3.008 20 10 EGCDHN CC(C)(C)OC(=O)NCC[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000896984829 1310119374 /nfs/dbraw/zinc/11/93/74/1310119374.db2.gz NKBSEUAYPANYCJ-ZDUSSCGKSA-N 0 3 338.423 3.268 20 10 EGCDHN CC(C)(C)OC(=O)NCC[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000896984829 1310119383 /nfs/dbraw/zinc/11/93/83/1310119383.db2.gz NKBSEUAYPANYCJ-ZDUSSCGKSA-N 0 3 338.423 3.268 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+][C@H](CCO)Cc2ccccc2)c1[O-] ZINC000799738996 1310610994 /nfs/dbraw/zinc/61/09/94/1310610994.db2.gz FZUMUWCXHSFIJE-MRXNPFEDSA-N 0 3 335.831 3.138 20 10 EGCDHN CCCCN(CC(=O)NCc1cccs1)Cc1ccccc1O ZINC000801595143 1310971590 /nfs/dbraw/zinc/97/15/90/1310971590.db2.gz WGSNRHCNOVAZRY-UHFFFAOYSA-N 0 3 332.469 3.372 20 10 EGCDHN COc1cc(Cl)cc(CN2CC[C@@H](Oc3ccc(C)cn3)C2)c1O ZINC000858013249 1328659882 /nfs/dbraw/zinc/65/98/82/1328659882.db2.gz PYPNCKUAEGSXTG-OAHLLOKOSA-N 0 3 348.830 3.411 20 10 EGCDHN CCCNC(=O)OC[C@@H]1CCCCN1Cc1ccc(N(C)C)cc1 ZINC000805776585 1317424124 /nfs/dbraw/zinc/42/41/24/1317424124.db2.gz RNGYEVWGNTXBPI-SFHVURJKSA-N 0 3 333.476 3.243 20 10 EGCDHN O=C(c1cc([O-])cs1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000807693978 1317578895 /nfs/dbraw/zinc/57/88/95/1317578895.db2.gz XVAQFYPPXOCLGU-LJQANCHMSA-N 0 3 342.464 3.192 20 10 EGCDHN O=C(c1cc([O-])cs1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000807693978 1317578900 /nfs/dbraw/zinc/57/89/00/1317578900.db2.gz XVAQFYPPXOCLGU-LJQANCHMSA-N 0 3 342.464 3.192 20 10 EGCDHN O=C(C1=CC(=O)CS1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000807693978 1317578903 /nfs/dbraw/zinc/57/89/03/1317578903.db2.gz XVAQFYPPXOCLGU-LJQANCHMSA-N 0 3 342.464 3.192 20 10 EGCDHN CN(C)c1ccc([C@H](CN[C@H]2CCCc3scnc32)N(C)C)cc1 ZINC000903448406 1317702352 /nfs/dbraw/zinc/70/23/52/1317702352.db2.gz OOMZQJQDBQPSQT-IRXDYDNUSA-N 0 3 344.528 3.479 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2CN(CC(C)C)CCO2)c1[O-] ZINC000808672390 1317711800 /nfs/dbraw/zinc/71/18/00/1317711800.db2.gz MACUOZHEHOFIDO-HOCLYGCPSA-N 0 3 340.895 3.361 20 10 EGCDHN COC(=O)N1CCC([NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])CC1 ZINC000808680280 1317714691 /nfs/dbraw/zinc/71/46/91/1317714691.db2.gz JWUBTJAVJTWXDS-LLVKDONJSA-N 0 3 326.824 3.235 20 10 EGCDHN CCOC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])C1 ZINC000808715549 1317721157 /nfs/dbraw/zinc/72/11/57/1317721157.db2.gz VRTUTSCFFBDBGA-YPMHNXCESA-N 0 3 326.824 3.235 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2COc3ccccc3[C@@H]2O)c1[O-] ZINC000808729479 1317724752 /nfs/dbraw/zinc/72/47/52/1317724752.db2.gz KQJIXFHFAPHNKY-GYOIFBIXSA-N 0 3 333.815 3.499 20 10 EGCDHN COc1cc2c(c(CNCc3cccc(OC)c3O)c1)O[C@@H](C)C2 ZINC000809740154 1317886131 /nfs/dbraw/zinc/88/61/31/1317886131.db2.gz NDGBKRDWBUBFMU-LBPRGKRZSA-N 0 3 329.396 3.023 20 10 EGCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000809769525 1317895089 /nfs/dbraw/zinc/89/50/89/1317895089.db2.gz HKUVOABOQZHMSP-OAHLLOKOSA-N 0 3 329.293 3.373 20 10 EGCDHN CN(C)c1ccc(CNC(=O)CN[C@@H](c2cccs2)C2CC2)cc1 ZINC000809931265 1317919550 /nfs/dbraw/zinc/91/95/50/1317919550.db2.gz CCVJJMRWDABHEA-LJQANCHMSA-N 0 3 343.496 3.171 20 10 EGCDHN CCCCN(C)C[C@@H](C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000810163455 1317966599 /nfs/dbraw/zinc/96/65/99/1317966599.db2.gz URATXFVOLXERNR-GFCCVEGCSA-N 0 3 329.282 3.365 20 10 EGCDHN COc1cc(Br)cc(CNCc2occc2C)c1O ZINC000813791026 1318633667 /nfs/dbraw/zinc/63/36/67/1318633667.db2.gz ONKLOEJZVUHNPV-UHFFFAOYSA-N 0 3 326.190 3.355 20 10 EGCDHN Cc1cc(CN2CC[C@H](NC(=O)OC(C)(C)C)C2)ccc1N(C)C ZINC000815044130 1318873052 /nfs/dbraw/zinc/87/30/52/1318873052.db2.gz ZPOHOSNSTWIEDL-INIZCTEOSA-N 0 3 333.476 3.160 20 10 EGCDHN Cc1sccc1CNCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000815116917 1318897114 /nfs/dbraw/zinc/89/71/14/1318897114.db2.gz GKQRSJKGIMORJF-QGZVFWFLSA-N 0 3 343.496 3.048 20 10 EGCDHN Cc1cc(CN2CCCC[C@H]2COC(=O)NC2CC2)ccc1N(C)C ZINC000815121283 1318899821 /nfs/dbraw/zinc/89/98/21/1318899821.db2.gz YZHOLXDNABKGTH-SFHVURJKSA-N 0 3 345.487 3.304 20 10 EGCDHN COC[C@](C)(O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815579838 1319020821 /nfs/dbraw/zinc/02/08/21/1319020821.db2.gz WFDJXPMGEVOFGQ-UYAOXDASSA-N 0 3 329.440 3.053 20 10 EGCDHN CC[C@H]([NH2+]CC[C@@H](O)COCc1ccccc1)c1ccccc1[O-] ZINC000858595585 1328804790 /nfs/dbraw/zinc/80/47/90/1328804790.db2.gz RLJWNLFDYQIVSR-MJGOQNOKSA-N 0 3 329.440 3.401 20 10 EGCDHN C[C@H]([NH2+]C[C@@H]1CCCCN1)c1cc(Br)cc(F)c1[O-] ZINC000817950707 1319475052 /nfs/dbraw/zinc/47/50/52/1319475052.db2.gz XKALTYINBLRDDB-ONGXEEELSA-N 0 3 331.229 3.087 20 10 EGCDHN C[C@H](NC[C@@H]1CCCC[NH2+]1)c1cc(Br)cc(F)c1[O-] ZINC000817950707 1319475046 /nfs/dbraw/zinc/47/50/46/1319475046.db2.gz XKALTYINBLRDDB-ONGXEEELSA-N 0 3 331.229 3.087 20 10 EGCDHN Cc1cc(O)c(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1C ZINC000915808236 1319539582 /nfs/dbraw/zinc/53/95/82/1319539582.db2.gz WHCQAZQKYBTIJX-UHFFFAOYSA-N 0 3 341.411 3.239 20 10 EGCDHN CC(C)[NH2+]C1CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000824656723 1320275319 /nfs/dbraw/zinc/27/53/19/1320275319.db2.gz LSLWWHYUJFCJCM-UHFFFAOYSA-N 0 3 327.266 3.117 20 10 EGCDHN [O-]c1ccc2ccccc2c1C[NH+]1CCN(c2cccc(F)n2)CC1 ZINC000824810870 1320286131 /nfs/dbraw/zinc/28/61/31/1320286131.db2.gz RPWXIHWLHGYNDP-UHFFFAOYSA-N 0 3 337.398 3.402 20 10 EGCDHN CC(C)(C)O[C@@H]1C[C@@H](NCc2ccc3c(c2)CCO3)[C@H]1n1cccn1 ZINC000825117825 1320311931 /nfs/dbraw/zinc/31/19/31/1320311931.db2.gz LKWJHYDZCBRFBP-BHIYHBOVSA-N 0 3 341.455 3.105 20 10 EGCDHN CCNC(=O)c1cccc(CNCc2ccc(N(C)C)cc2C)c1 ZINC000840930178 1321179893 /nfs/dbraw/zinc/17/98/93/1321179893.db2.gz SEGGUXLERLJOHF-UHFFFAOYSA-N 0 3 325.456 3.101 20 10 EGCDHN CCS(=O)(=O)c1ccc(CNCc2ccc(N(C)C)cc2C)cc1 ZINC000840936987 1321180799 /nfs/dbraw/zinc/18/07/99/1321180799.db2.gz PSTZGVNJKMLFOA-UHFFFAOYSA-N 0 3 346.496 3.144 20 10 EGCDHN Cc1cc(N(C)C)ccc1CN1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000840948054 1321183834 /nfs/dbraw/zinc/18/38/34/1321183834.db2.gz KPTHULNVSUMSDY-GOEBONIOSA-N 0 3 330.394 3.054 20 10 EGCDHN CC[C@H]([NH2+]Cc1cc(Br)cc(OC)c1[O-])[C@H](O)C(C)C ZINC000840968313 1321189972 /nfs/dbraw/zinc/18/99/72/1321189972.db2.gz WWUQTTOEWVTWLK-GXTWGEPZSA-N 0 3 346.265 3.048 20 10 EGCDHN CC[C@@H]([NH2+]Cc1cc(Br)cc(OC)c1[O-])[C@@H](O)C(C)C ZINC000840968315 1321190152 /nfs/dbraw/zinc/19/01/52/1321190152.db2.gz WWUQTTOEWVTWLK-OCCSQVGLSA-N 0 3 346.265 3.048 20 10 EGCDHN C[C@H](NCc1ccc(CO)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000842893045 1321446168 /nfs/dbraw/zinc/44/61/68/1321446168.db2.gz JAAIGRNWYMOEKP-HNNXBMFYSA-N 0 3 344.430 3.005 20 10 EGCDHN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccc(N2CCNC2=O)cc1 ZINC000842899180 1321447720 /nfs/dbraw/zinc/44/77/20/1321447720.db2.gz BPJHNFRGUVNGKA-OLZOCXBDSA-N 0 3 343.402 3.473 20 10 EGCDHN C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCNC2=O)cc1)c1cc(F)ccc1[O-] ZINC000842899181 1321447885 /nfs/dbraw/zinc/44/78/85/1321447885.db2.gz BPJHNFRGUVNGKA-QWHCGFSZSA-N 0 3 343.402 3.473 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+]2CC3(C[C@@H]2C)CCOCC3)c1[O-] ZINC000843432226 1321518456 /nfs/dbraw/zinc/51/84/56/1321518456.db2.gz SFWUILSHOSGTCS-LBPRGKRZSA-N 0 3 325.836 3.445 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+]2CC3(C[C@@H]2C)CCOCC3)c1[O-] ZINC000843432226 1321518459 /nfs/dbraw/zinc/51/84/59/1321518459.db2.gz SFWUILSHOSGTCS-LBPRGKRZSA-N 0 3 325.836 3.445 20 10 EGCDHN CC(C)O[C@@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000846013583 1321762274 /nfs/dbraw/zinc/76/22/74/1321762274.db2.gz CRUGWJXMYIVKJB-QGZVFWFLSA-N 0 3 336.451 3.052 20 10 EGCDHN COc1ccc(N(C)CCN(C)Cc2ccccc2NC(C)=O)cc1 ZINC000846051283 1321764245 /nfs/dbraw/zinc/76/42/45/1321764245.db2.gz FANBSOSZPFVHOL-UHFFFAOYSA-N 0 3 341.455 3.222 20 10 EGCDHN CC(C)(C)OC(=O)N1CC2(C1)CC[NH+](Cc1ccccc1[O-])CC2 ZINC000848918719 1322045802 /nfs/dbraw/zinc/04/58/02/1322045802.db2.gz JKYNUHHWGJLGPQ-UHFFFAOYSA-N 0 3 332.444 3.225 20 10 EGCDHN OC/C=C\CNCc1ccc(N2CCCCC2)c(Br)c1 ZINC000850357762 1322233071 /nfs/dbraw/zinc/23/30/71/1322233071.db2.gz UQHZXAPSXLVZPM-DJWKRKHSSA-N 0 3 339.277 3.078 20 10 EGCDHN CC[C@H]([NH2+]CC1(S(C)(=O)=O)CCCCC1)c1ccc(C)cc1[O-] ZINC000850531045 1322261523 /nfs/dbraw/zinc/26/15/23/1322261523.db2.gz GNWCXICDMPTFBR-INIZCTEOSA-N 0 3 339.501 3.489 20 10 EGCDHN C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccccc1[O-] ZINC000850566806 1322269721 /nfs/dbraw/zinc/26/97/21/1322269721.db2.gz SUYXBTGISPGVNS-OAHLLOKOSA-N 0 3 326.440 3.204 20 10 EGCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O ZINC000852019229 1323134319 /nfs/dbraw/zinc/13/43/19/1323134319.db2.gz VVAFFMJNOLPOSM-RYQLBKOJSA-N 0 3 330.472 3.442 20 10 EGCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O ZINC000852019229 1323134321 /nfs/dbraw/zinc/13/43/21/1323134321.db2.gz VVAFFMJNOLPOSM-RYQLBKOJSA-N 0 3 330.472 3.442 20 10 EGCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000862484738 1329490511 /nfs/dbraw/zinc/49/05/11/1329490511.db2.gz AIANTXKYTXQHFL-ZIAGYGMSSA-N 0 3 335.444 3.201 20 10 EGCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000862484738 1329490513 /nfs/dbraw/zinc/49/05/13/1329490513.db2.gz AIANTXKYTXQHFL-ZIAGYGMSSA-N 0 3 335.444 3.201 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H](n2cncn2)C(F)(F)F)c2c1c(F)ccc2[O-] ZINC000866436692 1330112253 /nfs/dbraw/zinc/11/22/53/1330112253.db2.gz QRAQOBCXZPJYPV-HLUHBDAQSA-N 0 3 344.312 3.064 20 10 EGCDHN Cc1ccc([C@H](CNC(=O)N[C@H](C)c2ccccc2O)N(C)C)cc1 ZINC000868212681 1330262674 /nfs/dbraw/zinc/26/26/74/1330262674.db2.gz ADQXAFXEIKXNGJ-QAPCUYQASA-N 0 3 341.455 3.364 20 10 EGCDHN [O-]c1ccccc1C[NH+]1CCC2(CCOC[C@H]2COCC2CC2)CC1 ZINC001203552492 1370166897 /nfs/dbraw/zinc/16/68/97/1370166897.db2.gz MUBAOHWAVWVXDA-IBGZPJMESA-N 0 3 345.483 3.438 20 10 EGCDHN [O-]c1ccccc1C[NH+]1CCC(c2noc(C(F)(F)F)n2)CC1 ZINC001203555710 1370168694 /nfs/dbraw/zinc/16/86/94/1370168694.db2.gz CZNHIQKIRFCBMN-UHFFFAOYSA-N 0 3 327.306 3.174 20 10 EGCDHN O=C(OCc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC001203563085 1370171136 /nfs/dbraw/zinc/17/11/36/1370171136.db2.gz VEAVYGLYJQLBLV-GOSISDBHSA-N 0 3 325.408 3.348 20 10 EGCDHN O=C(OCc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC001203563085 1370171140 /nfs/dbraw/zinc/17/11/40/1370171140.db2.gz VEAVYGLYJQLBLV-GOSISDBHSA-N 0 3 325.408 3.348 20 10 EGCDHN CCOc1cccc(CN2CC[C@@H](N3CCCCC3)[C@@H](F)C2)c1O ZINC001203617112 1370189461 /nfs/dbraw/zinc/18/94/61/1370189461.db2.gz HOPSSKLJXGUWMH-DLBZAZTESA-N 0 3 336.451 3.189 20 10 EGCDHN COc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OCC2CC2)c([O-])c1 ZINC001203623137 1370190998 /nfs/dbraw/zinc/19/09/98/1370190998.db2.gz JOQSWYZAPCWIMK-BPAFIMBUSA-N 0 3 331.456 3.428 20 10 EGCDHN COc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OCC2CC2)c([O-])c1 ZINC001203623137 1370190999 /nfs/dbraw/zinc/19/09/99/1370190999.db2.gz JOQSWYZAPCWIMK-BPAFIMBUSA-N 0 3 331.456 3.428 20 10 EGCDHN COc1ccc(CN2CCN(c3c(C)cccc3C)CC2)c(O)c1 ZINC001203634565 1370195413 /nfs/dbraw/zinc/19/54/13/1370195413.db2.gz LZPXTCUPMZRSAH-UHFFFAOYSA-N 0 3 326.440 3.340 20 10 EGCDHN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN(Cc2ccc(N(C)C)cc2)C1 ZINC001203937684 1370321943 /nfs/dbraw/zinc/32/19/43/1370321943.db2.gz LOPCJRBKUBSTMD-RDJZCZTQSA-N 0 3 347.503 3.488 20 10 EGCDHN CCN(CC)c1ccc(CN2CCN(CCCCOC)CC2)cc1 ZINC001203943515 1370324483 /nfs/dbraw/zinc/32/44/83/1370324483.db2.gz FCCCSRVSMRTIGQ-UHFFFAOYSA-N 0 3 333.520 3.077 20 10 EGCDHN COc1ccccc1S[C@@H]1CC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204277769 1370430691 /nfs/dbraw/zinc/43/06/91/1370430691.db2.gz LNZZZGXVVQGIFY-OAHLLOKOSA-N 0 3 331.437 3.473 20 10 EGCDHN COc1ccccc1S[C@@H]1CC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204277769 1370430694 /nfs/dbraw/zinc/43/06/94/1370430694.db2.gz LNZZZGXVVQGIFY-OAHLLOKOSA-N 0 3 331.437 3.473 20 10 EGCDHN COc1cc(C)ccc1OC1CC[NH+](Cc2ccc(O)cc2[O-])CC1 ZINC001204281603 1370430952 /nfs/dbraw/zinc/43/09/52/1370430952.db2.gz XCWNCCBDGPFZMQ-UHFFFAOYSA-N 0 3 343.423 3.458 20 10 EGCDHN Cc1cncnc1O[C@@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001204329049 1370445657 /nfs/dbraw/zinc/44/56/57/1370445657.db2.gz DDIKSIXVOQXUEP-LJQANCHMSA-N 0 3 338.455 3.039 20 10 EGCDHN COc1cccc([C@H]2CCCN(Cc3cc(O)c(O)c(OC)c3)C2)c1 ZINC001204348347 1370449530 /nfs/dbraw/zinc/44/95/30/1370449530.db2.gz CGDKYVVPRJHXEB-INIZCTEOSA-N 0 3 343.423 3.495 20 10 EGCDHN CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001207374217 1371378253 /nfs/dbraw/zinc/37/82/53/1371378253.db2.gz FXNZJNHTMXRJSO-OAHLLOKOSA-N 0 3 332.444 3.150 20 10 EGCDHN CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@H+]1CCc2cccc([O-])c2C1 ZINC001207374217 1371378259 /nfs/dbraw/zinc/37/82/59/1371378259.db2.gz FXNZJNHTMXRJSO-OAHLLOKOSA-N 0 3 332.444 3.150 20 10 EGCDHN Oc1cc(O)c(CN2CCC(OCc3ccccc3F)CC2)cc1O ZINC001233485213 1376653462 /nfs/dbraw/zinc/65/34/62/1376653462.db2.gz NBMWPIWINPBWCR-UHFFFAOYSA-N 0 3 347.386 3.124 20 10 EGCDHN CC[N@H+](CCn1cccn1)Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237059406 1376974336 /nfs/dbraw/zinc/97/43/36/1376974336.db2.gz MHKVLBWHRBPRHG-UHFFFAOYSA-N 0 3 343.349 3.052 20 10 EGCDHN CC[N@@H+](CCn1cccn1)Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237059406 1376974338 /nfs/dbraw/zinc/97/43/38/1376974338.db2.gz MHKVLBWHRBPRHG-UHFFFAOYSA-N 0 3 343.349 3.052 20 10 EGCDHN COC(=O)[C@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])[C@@H]1C ZINC001237141058 1376976916 /nfs/dbraw/zinc/97/69/16/1376976916.db2.gz UIBYBURSUGHNSD-MFKMUULPSA-N 0 3 331.334 3.185 20 10 EGCDHN COC(=O)[C@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])[C@@H]1C ZINC001237141058 1376976927 /nfs/dbraw/zinc/97/69/27/1376976927.db2.gz UIBYBURSUGHNSD-MFKMUULPSA-N 0 3 331.334 3.185 20 10 EGCDHN COC(=O)[C@H]1CCCN(Cc2cc(C(F)(F)F)ccc2O)[C@@H]1C ZINC001237141058 1376976931 /nfs/dbraw/zinc/97/69/31/1376976931.db2.gz UIBYBURSUGHNSD-MFKMUULPSA-N 0 3 331.334 3.185 20 10 EGCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](CO)CC2)cc1Br ZINC001237675685 1376982618 /nfs/dbraw/zinc/98/26/18/1376982618.db2.gz ACCVHRQLYRMIQB-LBPRGKRZSA-N 0 3 328.250 3.058 20 10 EGCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H](CO)CC2)cc1Br ZINC001237675685 1376982620 /nfs/dbraw/zinc/98/26/20/1376982620.db2.gz ACCVHRQLYRMIQB-LBPRGKRZSA-N 0 3 328.250 3.058 20 10 EGCDHN Cc1ccc(CN2C[C@H]3C[NH+](Cc4cccc(F)c4[O-])C[C@@H]3C2)cc1 ZINC001138124958 1377680727 /nfs/dbraw/zinc/68/07/27/1377680727.db2.gz FOJNUICENBJVBD-OALUTQOASA-N 0 3 340.442 3.404 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC[C@H](C(=O)OC)CC2)c(OC)c1 ZINC001138391945 1377714635 /nfs/dbraw/zinc/71/46/35/1377714635.db2.gz KDUJHZBKWVLMAJ-INIZCTEOSA-N 0 3 348.487 3.317 20 10 EGCDHN COc1ccc(N2CCN(Cc3c(C)cc(O)cc3C)CC2)cc1 ZINC001139712985 1377939645 /nfs/dbraw/zinc/93/96/45/1377939645.db2.gz QHGYSAFXSFQJSK-UHFFFAOYSA-N 0 3 326.440 3.340 20 10 EGCDHN CCCN(CCC[NH+](C)C)Cc1c([O-])cccc1Br ZINC001140101917 1378007411 /nfs/dbraw/zinc/00/74/11/1378007411.db2.gz DJRJHSUYSNXJQJ-UHFFFAOYSA-N 0 3 329.282 3.318 20 10 EGCDHN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN(Cc2cc(F)ccc2O)C1 ZINC001140058748 1377998050 /nfs/dbraw/zinc/99/80/50/1377998050.db2.gz KQCNJHOBCDBLSW-WFASDCNBSA-N 0 3 338.423 3.266 20 10 EGCDHN [O-]c1cc(F)cc(F)c1C[NH+]1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001140583658 1378090318 /nfs/dbraw/zinc/09/03/18/1378090318.db2.gz QBFHJTUIXNFQCV-HOTGVXAUSA-N 0 3 344.405 3.234 20 10 EGCDHN O=C(NC1CCCC1)[C@@H]1CC12CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001273285091 1378094564 /nfs/dbraw/zinc/09/45/64/1378094564.db2.gz NNELEKUQOIVGII-KRWDZBQOSA-N 0 3 346.446 3.192 20 10 EGCDHN Cc1ccc(O)c(CN2CC3(C2)CCN(C(=O)OC(C)(C)C)C3)c1 ZINC001140619504 1378098322 /nfs/dbraw/zinc/09/83/22/1378098322.db2.gz FVMCYZQDIGGKII-UHFFFAOYSA-N 0 3 332.444 3.143 20 10 EGCDHN CN(CCc1cccs1)Cc1ccc(N2CCOCC2)cc1F ZINC001140661645 1378108601 /nfs/dbraw/zinc/10/86/01/1378108601.db2.gz MWKBJIFWRQGYMN-UHFFFAOYSA-N 0 3 334.460 3.398 20 10 EGCDHN Cc1c(O)ccc(CN2CCN(c3ccc(Cl)cc3)CC2)c1O ZINC001140741816 1378127790 /nfs/dbraw/zinc/12/77/90/1378127790.db2.gz CTCRGHSWXPRINV-UHFFFAOYSA-N 0 3 332.831 3.382 20 10 EGCDHN Cc1cccc(N2CCN(Cc3ccc(O)c(C)c3O)CC2)c1C ZINC001140749030 1378129182 /nfs/dbraw/zinc/12/91/82/1378129182.db2.gz PGAOEXHRUBQCJV-UHFFFAOYSA-N 0 3 326.440 3.345 20 10 EGCDHN Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001140948101 1378188195 /nfs/dbraw/zinc/18/81/95/1378188195.db2.gz SUWTYSWRPTXGQH-HZPDHXFCSA-N 0 3 332.444 3.142 20 10 EGCDHN Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001140948101 1378188196 /nfs/dbraw/zinc/18/81/96/1378188196.db2.gz SUWTYSWRPTXGQH-HZPDHXFCSA-N 0 3 332.444 3.142 20 10 EGCDHN Cc1cc2ccnc(NCc3ccc(N4CCN(C)CC4)cc3)c2[nH]1 ZINC001167426481 1383630762 /nfs/dbraw/zinc/63/07/62/1383630762.db2.gz GNUSYDAPJKIQQV-UHFFFAOYSA-N 0 3 335.455 3.235 20 10 EGCDHN COC(=O)c1ccc(C[C@@H](C)[N@@H+]2CCc3cccc([O-])c3C2)cc1 ZINC001173727872 1385011145 /nfs/dbraw/zinc/01/11/45/1385011145.db2.gz HFOOMMLXBCNMIV-CQSZACIVSA-N 0 3 325.408 3.168 20 10 EGCDHN COC(=O)c1ccc(C[C@@H](C)[N@H+]2CCc3cccc([O-])c3C2)cc1 ZINC001173727872 1385011150 /nfs/dbraw/zinc/01/11/50/1385011150.db2.gz HFOOMMLXBCNMIV-CQSZACIVSA-N 0 3 325.408 3.168 20 10 EGCDHN COc1cc(Br)cc(C[NH2+]CCC2CCOCC2)c1[O-] ZINC001319835640 1386326308 /nfs/dbraw/zinc/32/63/08/1386326308.db2.gz DHPMAZBQGWANKM-UHFFFAOYSA-N 0 3 344.249 3.070 20 10 EGCDHN O[C@@H]([C@@H]1CCCN1Cc1ccc(N2CCCC2)cc1)C(F)(F)F ZINC001319951102 1386412974 /nfs/dbraw/zinc/41/29/74/1386412974.db2.gz YFXKOISZZQTFEM-HOTGVXAUSA-N 0 3 328.378 3.174 20 10 EGCDHN C[N@H+](CC(=O)NCc1cc(Cl)c2cccnc2c1[O-])C1CCCC1 ZINC001180630563 1386853478 /nfs/dbraw/zinc/85/34/78/1386853478.db2.gz UIHHPJDCSICJGT-UHFFFAOYSA-N 0 3 347.846 3.084 20 10 EGCDHN C[N@@H+](CC(=O)NCc1cc(Cl)c2cccnc2c1[O-])C1CCCC1 ZINC001180630563 1386853482 /nfs/dbraw/zinc/85/34/82/1386853482.db2.gz UIHHPJDCSICJGT-UHFFFAOYSA-N 0 3 347.846 3.084 20 10 EGCDHN O=C(CNCc1ccc(N2CCCC2)cc1)Nc1ccc(F)c(F)c1 ZINC001333669580 1390370350 /nfs/dbraw/zinc/37/03/50/1390370350.db2.gz YPKOQNNDPMLPBR-UHFFFAOYSA-N 0 3 345.393 3.293 20 10 EGCDHN OC1CCN(c2ccc(CNCc3cccn3C3CC3)cc2)CC1 ZINC001349761497 1391363396 /nfs/dbraw/zinc/36/33/96/1391363396.db2.gz HZDNYUMLRUUOFM-UHFFFAOYSA-N 0 3 325.456 3.074 20 10 EGCDHN CCOC(=O)N[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000054517773 214242880 /nfs/dbraw/zinc/24/28/80/214242880.db2.gz IJDHIDVJTOPENY-OAHLLOKOSA-N 0 3 328.412 3.256 20 10 EGCDHN CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000054517773 214242883 /nfs/dbraw/zinc/24/28/83/214242883.db2.gz IJDHIDVJTOPENY-OAHLLOKOSA-N 0 3 328.412 3.256 20 10 EGCDHN C[N@@H+]1CCC[C@H]2CN(Cc3cc(Br)ccc3[O-])CC[C@@H]21 ZINC000156094280 455081518 /nfs/dbraw/zinc/08/15/18/455081518.db2.gz TUYPNQAMPWNAKI-WFASDCNBSA-N 0 3 339.277 3.071 20 10 EGCDHN C[N@H+]1CCC[C@H]2CN(Cc3cc(Br)ccc3[O-])CC[C@@H]21 ZINC000156094280 455081520 /nfs/dbraw/zinc/08/15/20/455081520.db2.gz TUYPNQAMPWNAKI-WFASDCNBSA-N 0 3 339.277 3.071 20 10 EGCDHN C[C@@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1ccccc1[O-] ZINC000183429320 455291248 /nfs/dbraw/zinc/29/12/48/455291248.db2.gz BGZOAQBSESEBEK-MRXNPFEDSA-N 0 3 326.440 3.075 20 10 EGCDHN CCN1CCC[C@@H]1CNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000013068512 453443210 /nfs/dbraw/zinc/44/32/10/453443210.db2.gz LRCZTZOZFUCTRD-LJQANCHMSA-N 0 3 325.456 3.308 20 10 EGCDHN CCOC(=O)C1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000014016117 453497781 /nfs/dbraw/zinc/49/77/81/453497781.db2.gz XXWKYARIBPEWDF-UHFFFAOYSA-N 0 3 335.444 3.170 20 10 EGCDHN COc1cc(O)c(CN(C)CCOc2ccc(F)cc2)cc1OC ZINC000159547679 455384436 /nfs/dbraw/zinc/38/44/36/455384436.db2.gz PHCYDDYCILQAJJ-UHFFFAOYSA-N 0 3 335.375 3.059 20 10 EGCDHN CO[C@@H](C[NH2+]Cc1cc2c(cc1[O-])OCO2)c1ccc(Cl)cc1 ZINC000266156597 455424294 /nfs/dbraw/zinc/42/42/94/455424294.db2.gz MAKSETDHZSWINS-KRWDZBQOSA-N 0 3 335.787 3.252 20 10 EGCDHN CCOc1ccc2c(c1)[C@H](NCc1cc(OC)ccc1O)CCO2 ZINC000089726513 454184171 /nfs/dbraw/zinc/18/41/71/454184171.db2.gz UOPQFRFRVNOZGI-QGZVFWFLSA-N 0 3 329.396 3.413 20 10 EGCDHN CCOc1ccc(NC(=O)CC[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000137278025 454774811 /nfs/dbraw/zinc/77/48/11/454774811.db2.gz SDXYNFPOQPMZNI-UHFFFAOYSA-N 0 3 328.412 3.252 20 10 EGCDHN CCOc1ccc(NC(=O)CC[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000137278025 454774816 /nfs/dbraw/zinc/77/48/16/454774816.db2.gz SDXYNFPOQPMZNI-UHFFFAOYSA-N 0 3 328.412 3.252 20 10 EGCDHN C[C@@H](C(=O)NCc1ccc2c(c1)CCCN2C)[C@H](N)c1ccccc1 ZINC000166475239 454912513 /nfs/dbraw/zinc/91/25/13/454912513.db2.gz JZSURTAPMDFROE-QRWLVFNGSA-N 0 3 337.467 3.021 20 10 EGCDHN C[C@H](N[C@H]1CCCCNC1=O)c1ccc(N2CCCCCC2)cc1 ZINC000177875272 454915657 /nfs/dbraw/zinc/91/56/57/454915657.db2.gz KAFNXQGTSJGUDV-LPHOPBHVSA-N 0 3 329.488 3.386 20 10 EGCDHN C[C@@H]1CN(CCCC[NH2+]Cc2c([O-])cccc2Cl)C[C@@H](C)O1 ZINC000113329678 454922568 /nfs/dbraw/zinc/92/25/68/454922568.db2.gz ZEBUTYUEZVLSIC-ZIAGYGMSSA-N 0 3 326.868 3.025 20 10 EGCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@@H]([NH2+][C@@H]2CCSC2)C1 ZINC000167907120 454924938 /nfs/dbraw/zinc/92/49/38/454924938.db2.gz NHZWVUCVLSZFOC-HUUCEWRRSA-N 0 3 326.893 3.105 20 10 EGCDHN COCc1cccc(CN(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000179188569 455017414 /nfs/dbraw/zinc/01/74/14/455017414.db2.gz KUDGCBYCDQCXQD-UHFFFAOYSA-N 0 3 340.467 3.302 20 10 EGCDHN CC[C@@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1)c1ccccc1[O-] ZINC000155595057 455020709 /nfs/dbraw/zinc/02/07/09/455020709.db2.gz ROHKWWIXGRJBJJ-SUMWQHHRSA-N 0 3 348.468 3.102 20 10 EGCDHN COc1ccc(O)c(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000179694662 455067838 /nfs/dbraw/zinc/06/78/38/455067838.db2.gz VIEMSCAOOBJJMB-UHFFFAOYSA-N 0 3 328.368 3.474 20 10 EGCDHN O=C(NC1CCN(Cc2ccc(N3CCCCC3)cc2)CC1)C1CC1 ZINC000179910429 455097730 /nfs/dbraw/zinc/09/77/30/455097730.db2.gz JOOKQGHOTWKMOM-UHFFFAOYSA-N 0 3 341.499 3.168 20 10 EGCDHN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@@H]2CC[C@H](C1)N2C ZINC000174640179 455408783 /nfs/dbraw/zinc/40/87/83/455408783.db2.gz QASSOTKHRPDCFY-JKSUJKDBSA-N 0 3 343.496 3.464 20 10 EGCDHN CC[C@H]([NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1)c1ccccc1[O-] ZINC000185208666 455521759 /nfs/dbraw/zinc/52/17/59/455521759.db2.gz LCRMRRKCRYZHDM-QAPCUYQASA-N 0 3 341.455 3.253 20 10 EGCDHN COc1ccc(O)c([C@@H](C)NCc2ccc3c(c2)OCCCO3)c1 ZINC000185323206 455540190 /nfs/dbraw/zinc/54/01/90/455540190.db2.gz LOEKVLBMEWINJC-CYBMUJFWSA-N 0 3 329.396 3.413 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc3c(c2)OCCCO3)c1 ZINC000185323206 455540194 /nfs/dbraw/zinc/54/01/94/455540194.db2.gz LOEKVLBMEWINJC-CYBMUJFWSA-N 0 3 329.396 3.413 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCCN(C)C(=O)OC(C)(C)C)c1 ZINC000185342125 455543153 /nfs/dbraw/zinc/54/31/53/455543153.db2.gz HKYKEKQYEWOSMG-ZDUSSCGKSA-N 0 3 338.448 3.308 20 10 EGCDHN CC(=O)N1CCC(C[NH2+][C@H](C)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000185377312 455550483 /nfs/dbraw/zinc/55/04/83/455550483.db2.gz CDEYZMRZBCILHZ-CQSZACIVSA-N 0 3 330.472 3.180 20 10 EGCDHN CC(=O)N1CCC(C[NH2+][C@@H](C)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000185377293 455550535 /nfs/dbraw/zinc/55/05/35/455550535.db2.gz CDEYZMRZBCILHZ-AWEZNQCLSA-N 0 3 330.472 3.180 20 10 EGCDHN C[C@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+]Cc2ccccc2[O-])C1=O ZINC000292969365 455768973 /nfs/dbraw/zinc/76/89/73/455768973.db2.gz KEXCFAIKXVDILE-KDOFPFPSSA-N 0 3 342.414 3.373 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CCC[C@@H](O)CC1 ZINC000293980026 455801763 /nfs/dbraw/zinc/80/17/63/455801763.db2.gz KUYNUQCMROYQSF-GOSISDBHSA-N 0 3 327.424 3.318 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC[C@@H](O)CC1 ZINC000293980026 455801770 /nfs/dbraw/zinc/80/17/70/455801770.db2.gz KUYNUQCMROYQSF-GOSISDBHSA-N 0 3 327.424 3.318 20 10 EGCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269673740 455851139 /nfs/dbraw/zinc/85/11/39/455851139.db2.gz VUVWVDFXTDTGNQ-GOSISDBHSA-N 0 3 330.384 3.246 20 10 EGCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269673740 455851142 /nfs/dbraw/zinc/85/11/42/455851142.db2.gz VUVWVDFXTDTGNQ-GOSISDBHSA-N 0 3 330.384 3.246 20 10 EGCDHN CC(C)Oc1cccc([C@@H](O)C[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000295787575 455859731 /nfs/dbraw/zinc/85/97/31/455859731.db2.gz ACCRWQBJMFBFHI-HKUYNNGSSA-N 0 3 327.424 3.490 20 10 EGCDHN COc1cccc([C@H](C[NH2+][C@H]2CCc3cccc([O-])c32)N(C)C)c1 ZINC000295901206 455862385 /nfs/dbraw/zinc/86/23/85/455862385.db2.gz IQNNFBDXYKGCDC-ROUUACIJSA-N 0 3 326.440 3.281 20 10 EGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)CC2 ZINC000295957485 455864081 /nfs/dbraw/zinc/86/40/81/455864081.db2.gz LXLLFOUXHVRPDQ-HZPDHXFCSA-N 0 3 344.480 3.104 20 10 EGCDHN C[C@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)CC2(CCOCC2)O1 ZINC000279769304 455872708 /nfs/dbraw/zinc/87/27/08/455872708.db2.gz NACHOGXJWHAKKC-HNNXBMFYSA-N 0 3 327.424 3.315 20 10 EGCDHN C[C@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)CC2(CCOCC2)O1 ZINC000279769304 455872713 /nfs/dbraw/zinc/87/27/13/455872713.db2.gz NACHOGXJWHAKKC-HNNXBMFYSA-N 0 3 327.424 3.315 20 10 EGCDHN CN(C)C(=O)Nc1ccc(CNCc2ccc(N(C)C)c(F)c2)cc1 ZINC000279826406 455874963 /nfs/dbraw/zinc/87/49/63/455874963.db2.gz DMUBZQHJHPMMCH-UHFFFAOYSA-N 0 3 344.434 3.275 20 10 EGCDHN CCN1CCN(c2cccc(NC(=O)c3ccc(C)c(O)c3)c2)CC1 ZINC000187406003 455906273 /nfs/dbraw/zinc/90/62/73/455906273.db2.gz XJDNNYWYITZEMF-UHFFFAOYSA-N 0 3 339.439 3.095 20 10 EGCDHN COCCCOc1ccc(CNCc2ccc(N(C)C)cc2)cc1 ZINC000285755254 455910404 /nfs/dbraw/zinc/91/04/04/455910404.db2.gz ZATZMAOFFRUGSO-UHFFFAOYSA-N 0 3 328.456 3.458 20 10 EGCDHN C[C@H]1C[N@H+](Cc2cc(F)ccc2[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000272328291 455915447 /nfs/dbraw/zinc/91/54/47/455915447.db2.gz VONLOZAXGOFUSP-WFASDCNBSA-N 0 3 338.423 3.266 20 10 EGCDHN C[C@H]1C[N@@H+](Cc2cc(F)ccc2[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000272328291 455915452 /nfs/dbraw/zinc/91/54/52/455915452.db2.gz VONLOZAXGOFUSP-WFASDCNBSA-N 0 3 338.423 3.266 20 10 EGCDHN CCC[N@H+](Cc1cc(OC)c(OC)cc1[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000271055351 456114248 /nfs/dbraw/zinc/11/42/48/456114248.db2.gz ACJURLBSIAYDKW-ZMYBRWDISA-N 0 3 349.471 3.435 20 10 EGCDHN CCC[N@@H+](Cc1cc(OC)c(OC)cc1[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000271055351 456114250 /nfs/dbraw/zinc/11/42/50/456114250.db2.gz ACJURLBSIAYDKW-ZMYBRWDISA-N 0 3 349.471 3.435 20 10 EGCDHN C[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])[C@@H]1CCOC1 ZINC000281096632 456132902 /nfs/dbraw/zinc/13/29/02/456132902.db2.gz ADGRZWRAVNDILI-MAUKXSAKSA-N 0 3 327.424 3.486 20 10 EGCDHN CCOc1cccc(CN2CCC(C(=O)OC(C)(C)C)CC2)c1O ZINC000271174161 456155515 /nfs/dbraw/zinc/15/55/15/456155515.db2.gz WCJMSKRMTBQKRJ-UHFFFAOYSA-N 0 3 335.444 3.345 20 10 EGCDHN C[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)c1ccc(Br)cc1[O-] ZINC000273363622 456225848 /nfs/dbraw/zinc/22/58/48/456225848.db2.gz DJSPMWOJGXABDG-GLQYFDAESA-N 0 3 339.277 3.432 20 10 EGCDHN C[C@@H]([NH2+]Cc1cc(F)ccc1N1CCOCC1)c1cc(F)ccc1[O-] ZINC000273465992 456233015 /nfs/dbraw/zinc/23/30/15/456233015.db2.gz DRHRHGPUKRSPTC-CYBMUJFWSA-N 0 3 348.393 3.358 20 10 EGCDHN C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)c1cc(Cl)ccc1[O-] ZINC000273480053 456233824 /nfs/dbraw/zinc/23/38/24/456233824.db2.gz LVLFOCFTUUSPHC-BJOOFOGMSA-N 0 3 338.879 3.074 20 10 EGCDHN C[N@H+](Cc1cc(-c2ccccc2)ccc1[O-])CC1(O)CCOCC1 ZINC000276064820 456381164 /nfs/dbraw/zinc/38/11/64/456381164.db2.gz VQFLKILWEBBTKV-UHFFFAOYSA-N 0 3 327.424 3.033 20 10 EGCDHN C[N@@H+](Cc1cc(-c2ccccc2)ccc1[O-])CC1(O)CCOCC1 ZINC000276064820 456381168 /nfs/dbraw/zinc/38/11/68/456381168.db2.gz VQFLKILWEBBTKV-UHFFFAOYSA-N 0 3 327.424 3.033 20 10 EGCDHN Cc1ccc(O)c(CNCc2ccncc2OCC(F)(F)F)c1 ZINC000282350953 456485856 /nfs/dbraw/zinc/48/58/56/456485856.db2.gz VPOWIDPGTBFAIL-UHFFFAOYSA-N 0 3 326.318 3.327 20 10 EGCDHN Cc1cccc(C[NH2+][C@H](C)c2ccc(N3CCCNC3=O)cc2)c1[O-] ZINC000291016837 456498495 /nfs/dbraw/zinc/49/84/95/456498495.db2.gz BXQPRSFFAKINSL-OAHLLOKOSA-N 0 3 339.439 3.471 20 10 EGCDHN C[C@@H]([NH2+]Cc1ccccc1[O-])c1ccc(N2CCCNC2=O)cc1 ZINC000291153030 456546744 /nfs/dbraw/zinc/54/67/44/456546744.db2.gz ZTESDKLZYXQAFI-CQSZACIVSA-N 0 3 325.412 3.163 20 10 EGCDHN Cc1c2ccccc2n(C)c1CNC(=O)NCCN1CCC[C@@H](C)C1 ZINC000349382834 456960153 /nfs/dbraw/zinc/96/01/53/456960153.db2.gz UMVUWXSOMSLBEK-OAHLLOKOSA-N 0 3 342.487 3.018 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c1[O-] ZINC000359955437 457170663 /nfs/dbraw/zinc/17/06/63/457170663.db2.gz IHKIWBKWHGYSAM-DAXOMENPSA-N 0 3 325.836 3.347 20 10 EGCDHN COc1ccc([O-])c(C[N@@H+]2CCCC[C@@H]2[C@@H](O)c2ccccc2)c1 ZINC000378436700 457395319 /nfs/dbraw/zinc/39/53/19/457395319.db2.gz CWUWPDFZORJPJJ-QUCCMNQESA-N 0 3 327.424 3.489 20 10 EGCDHN COc1ccc([O-])c(C[N@H+]2CCCC[C@@H]2[C@@H](O)c2ccccc2)c1 ZINC000378436700 457395325 /nfs/dbraw/zinc/39/53/25/457395325.db2.gz CWUWPDFZORJPJJ-QUCCMNQESA-N 0 3 327.424 3.489 20 10 EGCDHN COc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H](O)c2ccccc2)c1[O-] ZINC000362388941 458145942 /nfs/dbraw/zinc/14/59/42/458145942.db2.gz JMBKYZBMDYTTJI-IEBWSBKVSA-N 0 3 327.424 3.489 20 10 EGCDHN COc1cccc(C[N@H+]2CCCC[C@@H]2[C@H](O)c2ccccc2)c1[O-] ZINC000362388941 458145950 /nfs/dbraw/zinc/14/59/50/458145950.db2.gz JMBKYZBMDYTTJI-IEBWSBKVSA-N 0 3 327.424 3.489 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC23CC(C2)CO3)c1[O-] ZINC000527981148 459786959 /nfs/dbraw/zinc/78/69/59/459786959.db2.gz OTUMVMMNQJOIGH-NLTNOIMHSA-N 0 3 326.234 3.293 20 10 EGCDHN COc1ccc(O)c(CN2CCN(c3cccc4[nH]ccc43)CC2)c1 ZINC000529668174 459833380 /nfs/dbraw/zinc/83/33/80/459833380.db2.gz DPNATVGLWLLSTG-UHFFFAOYSA-N 0 3 337.423 3.204 20 10 EGCDHN CCN(CC)c1ccc(CNCc2ccc(C(=O)NC)cc2)cc1 ZINC000030671586 520907581 /nfs/dbraw/zinc/90/75/81/520907581.db2.gz WHDJVPPGVHZKPG-UHFFFAOYSA-N 0 3 325.456 3.182 20 10 EGCDHN CC(C)[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)N1CCCCC1 ZINC000729350106 574845541 /nfs/dbraw/zinc/84/55/41/574845541.db2.gz WXECLYSQBUJPKR-GOSISDBHSA-N 0 3 335.467 3.018 20 10 EGCDHN CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821164991 606996769 /nfs/dbraw/zinc/99/67/69/606996769.db2.gz MQZQHRIZXMXRAO-CQSZACIVSA-N 0 3 336.443 3.174 20 10 EGCDHN CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821164991 606996771 /nfs/dbraw/zinc/99/67/71/606996771.db2.gz MQZQHRIZXMXRAO-CQSZACIVSA-N 0 3 336.443 3.174 20 10 EGCDHN CCN(CC)c1ccc(CNC(C)(C)C(=O)N2CCCC2)cc1F ZINC000793396373 1309363033 /nfs/dbraw/zinc/36/30/33/1309363033.db2.gz XNILCHBGXWNEQP-UHFFFAOYSA-N 0 3 335.467 3.163 20 10 EGCDHN COc1cc(Br)cc(CN2CCC[C@@H]2CSC)c1O ZINC000093760758 1292931467 /nfs/dbraw/zinc/93/14/67/1292931467.db2.gz ROASZIZWUCFPKW-GFCCVEGCSA-N 0 3 346.290 3.491 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+]C[C@H](O)Cc2cccc(F)c2)c2c1c(F)ccc2[O-] ZINC000834828088 1293154868 /nfs/dbraw/zinc/15/48/68/1293154868.db2.gz OTDVEJGPDYIDPV-DJSGYFEHSA-N 0 3 333.378 3.412 20 10 EGCDHN COc1cc(CN(C)Cc2ccc(N(C)C)cc2)cc2c1OCO2 ZINC000155184243 1294087343 /nfs/dbraw/zinc/08/73/43/1294087343.db2.gz NSGWVLDUTVYGOY-UHFFFAOYSA-N 0 3 328.412 3.122 20 10 EGCDHN CCn1cc([C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)cn1 ZINC000155326432 1294092650 /nfs/dbraw/zinc/09/26/50/1294092650.db2.gz WCQGDKNZQNRBGS-HZPDHXFCSA-N 0 3 328.460 3.151 20 10 EGCDHN COc1cc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])cc(OC)c1OC ZINC000176981754 1294646218 /nfs/dbraw/zinc/64/62/18/1294646218.db2.gz LRJKOEHHAMAECL-LLVKDONJSA-N 0 3 335.375 3.408 20 10 EGCDHN COc1ccc(N2CCC[N@H+](Cc3cc(F)ccc3[O-])CC2)cc1 ZINC000179970040 1294846029 /nfs/dbraw/zinc/84/60/29/1294846029.db2.gz LSHSQFVYFPRTLT-UHFFFAOYSA-N 0 3 330.403 3.252 20 10 EGCDHN COc1ccc(N2CCC[N@@H+](Cc3cc(F)ccc3[O-])CC2)cc1 ZINC000179970040 1294846044 /nfs/dbraw/zinc/84/60/44/1294846044.db2.gz LSHSQFVYFPRTLT-UHFFFAOYSA-N 0 3 330.403 3.252 20 10 EGCDHN Cc1cccc(CN2CCN(c3ncnc4ccsc43)CC2)c1O ZINC000180194791 1294868480 /nfs/dbraw/zinc/86/84/80/1294868480.db2.gz KNQDSLIHPJMHAA-UHFFFAOYSA-N 0 3 340.452 3.028 20 10 EGCDHN Cc1ccc(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c([O-])c1O ZINC000182973754 1295088102 /nfs/dbraw/zinc/08/81/02/1295088102.db2.gz DZFSZDNSRPWWCH-UHFFFAOYSA-N 0 3 340.423 3.297 20 10 EGCDHN C[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])N1CCN(c2ccccc2)CC1 ZINC000183417502 1295117563 /nfs/dbraw/zinc/11/75/63/1295117563.db2.gz PLOZKFQOHCOOGE-MSOLQXFVSA-N 0 3 339.483 3.254 20 10 EGCDHN CC(C)(C)OC(=O)N1CCC(C)([NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000190008415 1295557063 /nfs/dbraw/zinc/55/70/63/1295557063.db2.gz YSXNRKGMZFSRJV-UHFFFAOYSA-N 0 3 338.423 3.411 20 10 EGCDHN CC(C)[C@H](C[NH2+]Cc1cc(Br)ccc1[O-])N1CCCC1 ZINC000227436864 1296143715 /nfs/dbraw/zinc/14/37/15/1296143715.db2.gz BUTSCXIUJNBGRL-HNNXBMFYSA-N 0 3 341.293 3.365 20 10 EGCDHN CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000383846388 1297574788 /nfs/dbraw/zinc/57/47/88/1297574788.db2.gz LDOYQKFEDFODNA-CABCVRRESA-N 0 3 332.444 3.369 20 10 EGCDHN C[NH+](C)CC1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000715758238 1298285804 /nfs/dbraw/zinc/28/58/04/1298285804.db2.gz JIFRCWFORAHGNO-UHFFFAOYSA-N 0 3 345.256 3.067 20 10 EGCDHN CN(Cc1ccc(F)cc1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876538732 1298815049 /nfs/dbraw/zinc/81/50/49/1298815049.db2.gz VXGOXUFRZWMQNS-UHFFFAOYSA-N 0 3 328.431 3.419 20 10 EGCDHN CC1(C)CN(Cc2ccc(N3CCC(O)CC3)cc2)CC(C)(C)O1 ZINC000877463231 1299317490 /nfs/dbraw/zinc/31/74/90/1299317490.db2.gz AQTBVFBDLSRKCR-UHFFFAOYSA-N 0 3 332.488 3.037 20 10 EGCDHN C[C@H]1C[C@H](NC(=O)c2cc([O-])cs2)CC[N@@H+]1Cc1ccccc1 ZINC000751071050 1299506821 /nfs/dbraw/zinc/50/68/21/1299506821.db2.gz RKLPZHNLXDDJQO-DZGCQCFKSA-N 0 3 330.453 3.237 20 10 EGCDHN C[C@H]1C[C@H](NC(=O)c2cc([O-])cs2)CC[N@H+]1Cc1ccccc1 ZINC000751071050 1299506828 /nfs/dbraw/zinc/50/68/28/1299506828.db2.gz RKLPZHNLXDDJQO-DZGCQCFKSA-N 0 3 330.453 3.237 20 10 EGCDHN C[C@H]1C[C@H](NC(=O)C2=CC(=O)CS2)CCN1Cc1ccccc1 ZINC000751071050 1299506831 /nfs/dbraw/zinc/50/68/31/1299506831.db2.gz RKLPZHNLXDDJQO-DZGCQCFKSA-N 0 3 330.453 3.237 20 10 EGCDHN COC(=O)c1cc(C[NH2+][C@H](C)c2ccccc2[O-])n2c1CCCC2 ZINC000877755972 1299532362 /nfs/dbraw/zinc/53/23/62/1299532362.db2.gz VOINHGGBLASTLJ-CYBMUJFWSA-N 0 3 328.412 3.167 20 10 EGCDHN COc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cc1Cn1cccn1 ZINC000877757469 1299533897 /nfs/dbraw/zinc/53/38/97/1299533897.db2.gz KKLXBMYJSSJOMD-OAHLLOKOSA-N 0 3 337.423 3.496 20 10 EGCDHN COc1cc(Br)cc(C[NH2+][C@@H]2C[C@H](OC)C2(C)C)c1[O-] ZINC000753375081 1299923964 /nfs/dbraw/zinc/92/39/64/1299923964.db2.gz ZNRREQIAOVNMAZ-OLZOCXBDSA-N 0 3 344.249 3.066 20 10 EGCDHN Cc1cc(CN[C@@H]2CCCS(=O)(=O)C2)c(C)n1-c1cccc(C)c1 ZINC000754890329 1300240327 /nfs/dbraw/zinc/24/03/27/1300240327.db2.gz RDIDXWHNPPJGJC-GOSISDBHSA-N 0 3 346.496 3.069 20 10 EGCDHN CCOc1ccc(C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)c([O-])c1 ZINC000756035038 1300429708 /nfs/dbraw/zinc/42/97/08/1300429708.db2.gz SACRZRICNJFMID-ZLOXQWCVSA-N 0 3 333.453 3.379 20 10 EGCDHN CCC(CC)[C@@H](C[NH2+][C@H](C)c1ccc(C)cc1[O-])N1CCOCC1 ZINC000756398061 1300484483 /nfs/dbraw/zinc/48/44/83/1300484483.db2.gz BGJVLHKESWICGD-VQIMIIECSA-N 0 3 334.504 3.488 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)C3CC3)CC2)c2c1c(F)ccc2[O-] ZINC000756402817 1300484594 /nfs/dbraw/zinc/48/45/94/1300484594.db2.gz ZAPFVGVPWFIFKW-IAQYHMDHSA-N 0 3 332.419 3.070 20 10 EGCDHN CC(C)CN1CCC[C@@H](C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000756762018 1300561286 /nfs/dbraw/zinc/56/12/86/1300561286.db2.gz SGXWGFMLQWORCI-GJZGRUSLSA-N 0 3 335.448 3.319 20 10 EGCDHN C[C@@H]([NH2+]CC(=O)NCCc1ccc(Cl)cc1)c1ccccc1[O-] ZINC000879647837 1300648206 /nfs/dbraw/zinc/64/82/06/1300648206.db2.gz NEWUFTVYNIPMHW-CYBMUJFWSA-N 0 3 332.831 3.055 20 10 EGCDHN CSc1ccc(CN(C)C(=O)C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000879648886 1300649463 /nfs/dbraw/zinc/64/94/63/1300649463.db2.gz FUIUSWGUBZARNU-CQSZACIVSA-N 0 3 344.480 3.423 20 10 EGCDHN C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)C(=O)NCC3)c2c1c(F)ccc2[O-] ZINC000757660663 1300706229 /nfs/dbraw/zinc/70/62/29/1300706229.db2.gz IPLMTPGHUKSSCW-ZBEGNZNMSA-N 0 3 340.398 3.155 20 10 EGCDHN C[C@H](NC(=O)NC[C@@H]1CCCCN1C1CC1)c1ccc(N(C)C)cc1 ZINC000764806476 1302139054 /nfs/dbraw/zinc/13/90/54/1302139054.db2.gz QHVWTLBKKZJSQM-KXBFYZLASA-N 0 3 344.503 3.130 20 10 EGCDHN CO[C@H](C)[C@H](C)[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000765994655 1302364380 /nfs/dbraw/zinc/36/43/80/1302364380.db2.gz QLXLEOJTGQWLRD-ZENOOKHLSA-N 0 3 326.868 3.023 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCNC3=O)cc2)c([O-])c1 ZINC000883286621 1302366297 /nfs/dbraw/zinc/36/62/97/1302366297.db2.gz XJHIKNCVEFZTHB-CQSZACIVSA-N 0 3 325.412 3.081 20 10 EGCDHN C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)c1ccc(F)cc1[O-] ZINC000883290261 1302370060 /nfs/dbraw/zinc/37/00/60/1302370060.db2.gz PNAPMECGNHYFQW-HNNXBMFYSA-N 0 3 343.446 3.134 20 10 EGCDHN CCOc1ccc(C[N@H+](C)C[C@H]2COc3ccccc3O2)c([O-])c1 ZINC000768180692 1302846192 /nfs/dbraw/zinc/84/61/92/1302846192.db2.gz OACZFBHGWNTLIC-INIZCTEOSA-N 0 3 329.396 3.063 20 10 EGCDHN CCOc1ccc(C[N@@H+](C)C[C@H]2COc3ccccc3O2)c([O-])c1 ZINC000768180692 1302846207 /nfs/dbraw/zinc/84/62/07/1302846207.db2.gz OACZFBHGWNTLIC-INIZCTEOSA-N 0 3 329.396 3.063 20 10 EGCDHN CC(C)C[N@H+](Cc1ccccc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768440018 1302901841 /nfs/dbraw/zinc/90/18/41/1302901841.db2.gz NDMWLJRNZIQHFQ-LJQANCHMSA-N 0 3 327.424 3.476 20 10 EGCDHN CC(C)C[N@@H+](Cc1ccccc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768440018 1302901850 /nfs/dbraw/zinc/90/18/50/1302901850.db2.gz NDMWLJRNZIQHFQ-LJQANCHMSA-N 0 3 327.424 3.476 20 10 EGCDHN CCOc1ccc(C[N@H+](C)Cc2ccc(C(=O)OC)cc2)c([O-])c1 ZINC000768782846 1302977437 /nfs/dbraw/zinc/97/74/37/1302977437.db2.gz NYIBHSXONHORJA-UHFFFAOYSA-N 0 3 329.396 3.210 20 10 EGCDHN CCOc1ccc(C[N@@H+](C)Cc2ccc(C(=O)OC)cc2)c([O-])c1 ZINC000768782846 1302977440 /nfs/dbraw/zinc/97/74/40/1302977440.db2.gz NYIBHSXONHORJA-UHFFFAOYSA-N 0 3 329.396 3.210 20 10 EGCDHN CCOc1ccc(CN(C)Cc2ccc(C(=O)OC)cc2)c(O)c1 ZINC000768782846 1302977444 /nfs/dbraw/zinc/97/74/44/1302977444.db2.gz NYIBHSXONHORJA-UHFFFAOYSA-N 0 3 329.396 3.210 20 10 EGCDHN CCOc1cccc(CN2C[C@@H](CC)N(C(C)=O)C[C@H]2CC)c1O ZINC000769496123 1303127074 /nfs/dbraw/zinc/12/70/74/1303127074.db2.gz KKBVLKFBJXKKQT-IAGOWNOFSA-N 0 3 334.460 3.012 20 10 EGCDHN C[C@@H](N[C@@H](C)C(=O)N(C)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000774480768 1303814965 /nfs/dbraw/zinc/81/49/65/1303814965.db2.gz DIHIEGRIGCZTEX-SJORKVTESA-N 0 3 339.483 3.450 20 10 EGCDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)N(C)Cc1ccccc1 ZINC000774480767 1303815399 /nfs/dbraw/zinc/81/53/99/1303815399.db2.gz DIHIEGRIGCZTEX-IRXDYDNUSA-N 0 3 339.483 3.450 20 10 EGCDHN CC(C)n1nccc1NC(=O)[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774486130 1303816622 /nfs/dbraw/zinc/81/66/22/1303816622.db2.gz WAUODIRBGJHGNA-CABCVRRESA-N 0 3 343.475 3.208 20 10 EGCDHN COCC[C@@]1([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCOC1 ZINC000775034045 1303892058 /nfs/dbraw/zinc/89/20/58/1303892058.db2.gz PPQRACJVWNYMSE-HXUWFJFHSA-N 0 3 327.424 3.344 20 10 EGCDHN CC[C@@H]([NH2+]C[C@@H](O)COc1c(C)cccc1C)c1ccccc1[O-] ZINC000775414265 1303960559 /nfs/dbraw/zinc/96/05/59/1303960559.db2.gz GYNZDQXGEIROQL-SJLPKXTDSA-N 0 3 329.440 3.490 20 10 EGCDHN C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000775830666 1304045890 /nfs/dbraw/zinc/04/58/90/1304045890.db2.gz MHTZYYVMQBIPML-YYIAUSFCSA-N 0 3 331.504 3.296 20 10 EGCDHN C[C@@H](NC[C@H]1CN(c2ccccc2)C(=O)O1)c1ccc(N(C)C)cc1 ZINC000775834356 1304046372 /nfs/dbraw/zinc/04/63/72/1304046372.db2.gz SIAIQCCJFNBUKH-BEFAXECRSA-N 0 3 339.439 3.429 20 10 EGCDHN C[C@@H](NCC(=O)N[C@@H](C)c1cccs1)c1ccc(N(C)C)cc1 ZINC000775834138 1304046433 /nfs/dbraw/zinc/04/64/33/1304046433.db2.gz KNNOCYMRRFRIHS-KGLIPLIRSA-N 0 3 331.485 3.342 20 10 EGCDHN CC(C)N(CC(F)(F)F)C(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775836605 1304047646 /nfs/dbraw/zinc/04/76/46/1304047646.db2.gz ODBJVYKEORKVML-ZDUSSCGKSA-N 0 3 345.409 3.203 20 10 EGCDHN CCO[C@@H]1C[C@H]([NH2+]Cc2c([O-])cccc2OC)[C@@H]1Oc1ccccc1 ZINC000776007178 1304078543 /nfs/dbraw/zinc/07/85/43/1304078543.db2.gz MDYAJZYZYRUHFN-DBVUQKKJSA-N 0 3 343.423 3.115 20 10 EGCDHN CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000776256917 1304122030 /nfs/dbraw/zinc/12/20/30/1304122030.db2.gz SOFNNBBDGZUVRJ-BXUZGUMPSA-N 0 3 328.250 3.368 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](O)c2ccco2)c1[O-] ZINC000779004324 1304517133 /nfs/dbraw/zinc/51/71/33/1304517133.db2.gz UQZLUOZQYBYOHY-ZWNOBZJWSA-N 0 3 340.217 3.440 20 10 EGCDHN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000779031898 1304520397 /nfs/dbraw/zinc/52/03/97/1304520397.db2.gz BGXZFSQACDAKJA-IUODEOHRSA-N 0 3 338.423 3.409 20 10 EGCDHN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000779031898 1304520399 /nfs/dbraw/zinc/52/03/99/1304520399.db2.gz BGXZFSQACDAKJA-IUODEOHRSA-N 0 3 338.423 3.409 20 10 EGCDHN C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000779034234 1304520678 /nfs/dbraw/zinc/52/06/78/1304520678.db2.gz QRJITVVBXFTRCL-STQMWFEESA-N 0 3 338.423 3.266 20 10 EGCDHN C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1cc(F)ccc1[O-] ZINC000779034234 1304520682 /nfs/dbraw/zinc/52/06/82/1304520682.db2.gz QRJITVVBXFTRCL-STQMWFEESA-N 0 3 338.423 3.266 20 10 EGCDHN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000779031897 1304520709 /nfs/dbraw/zinc/52/07/09/1304520709.db2.gz BGXZFSQACDAKJA-DOMZBBRYSA-N 0 3 338.423 3.409 20 10 EGCDHN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000779031897 1304520714 /nfs/dbraw/zinc/52/07/14/1304520714.db2.gz BGXZFSQACDAKJA-DOMZBBRYSA-N 0 3 338.423 3.409 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CCC[C@@H]1CCO ZINC000779202286 1304541866 /nfs/dbraw/zinc/54/18/66/1304541866.db2.gz MTTVBBDZXFNUOC-GOSISDBHSA-N 0 3 327.424 3.318 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC[C@@H]1CCO ZINC000779202286 1304541868 /nfs/dbraw/zinc/54/18/68/1304541868.db2.gz MTTVBBDZXFNUOC-GOSISDBHSA-N 0 3 327.424 3.318 20 10 EGCDHN C[C@H]([NH2+][C@H]1CCN2CCCC[C@@H]12)c1cc(Br)ccc1[O-] ZINC000783647330 1305122302 /nfs/dbraw/zinc/12/23/02/1305122302.db2.gz JYFSGLPESBFFPR-CQDKDKBSSA-N 0 3 339.277 3.432 20 10 EGCDHN CCC[N@H+](Cc1ccc(OC)c(OC)c1[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000892101946 1305251394 /nfs/dbraw/zinc/25/13/94/1305251394.db2.gz PAQRNFCJVOUJHN-KYNGSXCRSA-N 0 3 349.471 3.435 20 10 EGCDHN CCC[N@@H+](Cc1ccc(OC)c(OC)c1[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000892101946 1305251396 /nfs/dbraw/zinc/25/13/96/1305251396.db2.gz PAQRNFCJVOUJHN-KYNGSXCRSA-N 0 3 349.471 3.435 20 10 EGCDHN Cc1cc(CNCc2ccc(N3CCSCC3)cc2)cnc1F ZINC000892612138 1305470666 /nfs/dbraw/zinc/47/06/66/1305470666.db2.gz DQYQZQIQYOFXFA-UHFFFAOYSA-N 0 3 331.460 3.372 20 10 EGCDHN CCc1cc(CNCc2ccc(N(C)C)cc2C(F)(F)F)n[nH]1 ZINC000792979443 1309274700 /nfs/dbraw/zinc/27/47/00/1309274700.db2.gz IVGRGDILXAAERP-UHFFFAOYSA-N 0 3 326.366 3.347 20 10 EGCDHN CCOc1cccc(CN2CCN(C)[C@H](Cc3ccccc3)C2)c1O ZINC000793620518 1309418856 /nfs/dbraw/zinc/41/88/56/1309418856.db2.gz PUXQDEKTFUPMNA-LJQANCHMSA-N 0 3 340.467 3.150 20 10 EGCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000896386026 1309833633 /nfs/dbraw/zinc/83/36/33/1309833633.db2.gz WWRDTHRZMRFAHG-KRWDZBQOSA-N 0 3 325.408 3.254 20 10 EGCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@H](C2OCCO2)C1 ZINC000896386026 1309833639 /nfs/dbraw/zinc/83/36/39/1309833639.db2.gz WWRDTHRZMRFAHG-KRWDZBQOSA-N 0 3 325.408 3.254 20 10 EGCDHN C[C@@]1(CNC(=O)c2cc([O-])cs2)CC[N@H+](Cc2ccccc2)C1 ZINC000799102526 1310487742 /nfs/dbraw/zinc/48/77/42/1310487742.db2.gz GKXSSDLZMLHZGB-SFHVURJKSA-N 0 3 330.453 3.096 20 10 EGCDHN C[C@@]1(CNC(=O)c2cc([O-])cs2)CC[N@@H+](Cc2ccccc2)C1 ZINC000799102526 1310487745 /nfs/dbraw/zinc/48/77/45/1310487745.db2.gz GKXSSDLZMLHZGB-SFHVURJKSA-N 0 3 330.453 3.096 20 10 EGCDHN C[C@@]1(CNC(=O)C2=CC(=O)CS2)CCN(Cc2ccccc2)C1 ZINC000799102526 1310487749 /nfs/dbraw/zinc/48/77/49/1310487749.db2.gz GKXSSDLZMLHZGB-SFHVURJKSA-N 0 3 330.453 3.096 20 10 EGCDHN CN(C)c1ccc(CN[C@]2(CO)CCCc3ccccc32)cc1F ZINC000799343940 1310530153 /nfs/dbraw/zinc/53/01/53/1310530153.db2.gz QNIVOLSOQQUAGJ-FQEVSTJZSA-N 0 3 328.431 3.205 20 10 EGCDHN [O-]c1cc(Br)ccc1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000824855671 1320291806 /nfs/dbraw/zinc/29/18/06/1320291806.db2.gz OGRABCQRZIGRLJ-CYBMUJFWSA-N 0 3 339.277 3.072 20 10 EGCDHN CC[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1=O)c1ccccc1[O-] ZINC000839540221 1320935087 /nfs/dbraw/zinc/93/50/87/1320935087.db2.gz IZAFYHKQMDPXCU-DLBZAZTESA-N 0 3 328.387 3.378 20 10 EGCDHN C[C@H](NCC(=O)N(C)Cc1cccs1)c1ccc(N(C)C)cc1 ZINC000839563484 1320938530 /nfs/dbraw/zinc/93/85/30/1320938530.db2.gz LBEINURIVWZPIE-AWEZNQCLSA-N 0 3 331.485 3.123 20 10 EGCDHN CCOC(=O)c1[nH]c(C)c(CNCc2ccc(N(C)C)c(F)c2)c1C ZINC000858116901 1328687524 /nfs/dbraw/zinc/68/75/24/1328687524.db2.gz SGJLGDVKGJBPOA-UHFFFAOYSA-N 0 3 347.434 3.303 20 10 EGCDHN CCCCN(C)C[C@H](C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000808455057 1317681406 /nfs/dbraw/zinc/68/14/06/1317681406.db2.gz URATXFVOLXERNR-LBPRGKRZSA-N 0 3 329.282 3.365 20 10 EGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cccc(OCC(N)=O)c2)c1[O-] ZINC000808700207 1317717073 /nfs/dbraw/zinc/71/70/73/1317717073.db2.gz WAYLUMKOBJALRQ-GFCCVEGCSA-N 0 3 348.830 3.069 20 10 EGCDHN c1csc(SCCCN[C@@H](c2nnc[nH]2)c2ccccc2)n1 ZINC000808694161 1317717574 /nfs/dbraw/zinc/71/75/74/1317717574.db2.gz DMPVSRQZKYFYSH-CYBMUJFWSA-N 0 3 331.470 3.123 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc3c(c2)C(=O)NCC3)c1[O-] ZINC000808715879 1317720877 /nfs/dbraw/zinc/72/08/77/1317720877.db2.gz YHKRRSOTQBBGQT-LBPRGKRZSA-N 0 3 344.842 3.491 20 10 EGCDHN COc1cc(Br)cc(C[NH2+][C@@H](CO)CCC(C)C)c1[O-] ZINC000858241578 1328719831 /nfs/dbraw/zinc/71/98/31/1328719831.db2.gz XYRPWVKDANRSNE-CYBMUJFWSA-N 0 3 346.265 3.050 20 10 EGCDHN CCN(CC)c1ccc(CN(C)Cc2cc(C(=O)OC)n(C)c2)cc1 ZINC000809541819 1317827124 /nfs/dbraw/zinc/82/71/24/1317827124.db2.gz YPDWNZOCSSPCNH-UHFFFAOYSA-N 0 3 343.471 3.290 20 10 EGCDHN COc1ccc(C[NH2+][C@@H](C)Cc2ccc(OC)c(OC)c2C)c([O-])c1 ZINC000809658117 1317858138 /nfs/dbraw/zinc/85/81/38/1317858138.db2.gz DQPCVCZEUHVINH-ZDUSSCGKSA-N 0 3 345.439 3.447 20 10 EGCDHN CCc1ccc([C@@H](O)C[NH2+]Cc2cc(Cl)cc(OC)c2[O-])cc1 ZINC000809688813 1317862632 /nfs/dbraw/zinc/86/26/32/1317862632.db2.gz FNIZLQDMPIRICG-INIZCTEOSA-N 0 3 335.831 3.440 20 10 EGCDHN COc1ccc(CN[C@@H]2C[C@H](C)c3c2c(O)ccc3F)c(OC)n1 ZINC000810260153 1317989730 /nfs/dbraw/zinc/98/97/30/1317989730.db2.gz GHWZMMBGGFFFDR-GXFFZTMASA-N 0 3 332.375 3.282 20 10 EGCDHN CCOc1ccc(O)c(CN2CCCC[C@@H]2COC(=O)NC2CC2)c1 ZINC000811511880 1318190330 /nfs/dbraw/zinc/19/03/30/1318190330.db2.gz WWIICHQOPBNCQW-MRXNPFEDSA-N 0 3 348.443 3.034 20 10 EGCDHN CO[C@](C)(C[NH2+]Cc1cc(Br)cc(C)c1[O-])C1CC1 ZINC000812773412 1318450785 /nfs/dbraw/zinc/45/07/85/1318450785.db2.gz VYIIWCJPOFYWAA-OAHLLOKOSA-N 0 3 328.250 3.368 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]C[C@H](CO)C2CCCCC2)c1[O-] ZINC000816650191 1319200615 /nfs/dbraw/zinc/20/06/15/1319200615.db2.gz XJLMBSHJTIYYKS-CQSZACIVSA-N 0 3 327.852 3.333 20 10 EGCDHN CC[C@H]([NH2+][C@@H]1CCCC[C@H]1N)c1cc(Br)ccc1[O-] ZINC000818616599 1319571477 /nfs/dbraw/zinc/57/14/77/1319571477.db2.gz YNLYRNAJRIYLGH-HZSPNIEDSA-N 0 3 327.266 3.465 20 10 EGCDHN CCOc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)c([O-])c1 ZINC000824947836 1320298621 /nfs/dbraw/zinc/29/86/21/1320298621.db2.gz MEKGUNNFEBUYAK-VQIMIIECSA-N 0 3 328.412 3.196 20 10 EGCDHN COC(=O)C1CCN(Cc2ccc(N3CCCCC3)c(C)c2)CC1 ZINC000827360302 1320447780 /nfs/dbraw/zinc/44/77/80/1320447780.db2.gz FNQCSBHNLWUYBG-UHFFFAOYSA-N 0 3 330.472 3.370 20 10 EGCDHN Oc1cc2c(cc1CN1CC(Cc3ccc(F)c(F)c3)C1)OCO2 ZINC000839146090 1320880071 /nfs/dbraw/zinc/88/00/71/1320880071.db2.gz ZVYIDURHRNGFPL-UHFFFAOYSA-N 0 3 333.334 3.074 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCC(C)(C)S(C)(=O)=O)c1[O-] ZINC000840875062 1321167299 /nfs/dbraw/zinc/16/72/99/1321167299.db2.gz CDCPQXCNKXBGHZ-NSHDSACASA-N 0 3 333.881 3.218 20 10 EGCDHN CCc1ccc([C@H](CNC(=O)Nc2ccc(N)cc2)N(C)C)cc1 ZINC000841301646 1321250097 /nfs/dbraw/zinc/25/00/97/1321250097.db2.gz BVHLGOHFRSJVJQ-SFHVURJKSA-N 0 3 326.444 3.256 20 10 EGCDHN Cc1cc(Br)c([O-])c(CN2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000843119311 1321473022 /nfs/dbraw/zinc/47/30/22/1321473022.db2.gz XUJQMERAZQMWSU-INIZCTEOSA-N 0 3 339.277 3.039 20 10 EGCDHN CCCN(C(=O)c1cc(C)n(-c2ccccn2)c1C)[C@@H]1CCN(C)C1 ZINC000843991447 1321564640 /nfs/dbraw/zinc/56/46/40/1321564640.db2.gz KAEUYCAFHXYRPZ-QGZVFWFLSA-N 0 3 340.471 3.045 20 10 EGCDHN CCN(C)c1ccc(CN2CCC(Oc3ncc(C)cn3)CC2)cc1 ZINC000847027144 1321834823 /nfs/dbraw/zinc/83/48/23/1321834823.db2.gz NDZYHAXCBNBOGY-UHFFFAOYSA-N 0 3 340.471 3.285 20 10 EGCDHN Cc1ncncc1[C@@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000848527128 1321968897 /nfs/dbraw/zinc/96/88/97/1321968897.db2.gz SLKUBLKEXZCVDE-GOEBONIOSA-N 0 3 326.444 3.033 20 10 EGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2O)c1[O-] ZINC000848531964 1321971267 /nfs/dbraw/zinc/97/12/67/1321971267.db2.gz YJGCZCAKYLIHSW-ZWKOPEQDSA-N 0 3 344.249 3.117 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](C)C(=O)OC(C)(C)C)c1[O-] ZINC000848926707 1322047214 /nfs/dbraw/zinc/04/72/14/1322047214.db2.gz WSOAPRDVCOHPMT-SNVBAGLBSA-N 0 3 329.824 3.122 20 10 EGCDHN COc1cccc2c1OCC[C@@H]2NCc1cc(OC)c(OC)cc1O ZINC000848927203 1322047424 /nfs/dbraw/zinc/04/74/24/1322047424.db2.gz BUKSIWJZOPQOEQ-AWEZNQCLSA-N 0 3 345.395 3.031 20 10 EGCDHN COc1ccc(O)c(CNCc2cncc(Br)c2C)c1 ZINC000850137676 1322197345 /nfs/dbraw/zinc/19/73/45/1322197345.db2.gz UACUMPYTUGTLDN-UHFFFAOYSA-N 0 3 337.217 3.157 20 10 EGCDHN c1cc2c(c(CNCc3ccc(N4CCSCC4)cc3)c1)OCC2 ZINC000921550415 1322349359 /nfs/dbraw/zinc/34/93/59/1322349359.db2.gz KHRNDHMCWOOHNI-UHFFFAOYSA-N 0 3 340.492 3.465 20 10 EGCDHN C[C@H](NCc1ccc2c(c1)CCCO2)c1ccc(NC(N)=O)cc1 ZINC000921738564 1322387760 /nfs/dbraw/zinc/38/77/60/1322387760.db2.gz RNDQSJXRMWIDQC-ZDUSSCGKSA-N 0 3 325.412 3.353 20 10 EGCDHN COC(=O)c1ccc(CNCCCSc2nccs2)c(F)c1 ZINC000921753381 1322392853 /nfs/dbraw/zinc/39/28/53/1322392853.db2.gz BQNOTMAWUXSKGU-UHFFFAOYSA-N 0 3 340.445 3.341 20 10 EGCDHN C[S@](=O)Cc1ccc(CNCc2ccc3c(c2)CCCO3)cc1 ZINC000922125801 1322460748 /nfs/dbraw/zinc/46/07/48/1322460748.db2.gz MZGRURDSOILCBV-QHCPKHFHSA-N 0 3 329.465 3.180 20 10 EGCDHN CCOc1ccc(C[NH2+]CCn2nc(C(F)(F)F)cc2C)c([O-])c1 ZINC000922429652 1322527552 /nfs/dbraw/zinc/52/75/52/1322527552.db2.gz OJGOTKHGEWMMHC-UHFFFAOYSA-N 0 3 343.349 3.104 20 10 EGCDHN CC[N@@H+]1CC[C@@H](N(C)Cc2c([O-])cccc2Br)C[C@H]1C ZINC000862248757 1329470852 /nfs/dbraw/zinc/47/08/52/1329470852.db2.gz RAVIZZRRFNCWFI-CHWSQXEVSA-N 0 3 341.293 3.459 20 10 EGCDHN CC[N@H+]1CC[C@@H](N(C)Cc2c([O-])cccc2Br)C[C@H]1C ZINC000862248757 1329470854 /nfs/dbraw/zinc/47/08/54/1329470854.db2.gz RAVIZZRRFNCWFI-CHWSQXEVSA-N 0 3 341.293 3.459 20 10 EGCDHN COC(=O)[C@H]1CN(Cc2cc(C)c(C)cc2O)Cc2ccccc21 ZINC000862538543 1329493937 /nfs/dbraw/zinc/49/39/37/1329493937.db2.gz TXWLUUQJDZUIKB-SFHVURJKSA-N 0 3 325.408 3.281 20 10 EGCDHN COc1cc(Br)cc(C[NH2+]CCC(C)(C)OC)c1[O-] ZINC000865755914 1329735301 /nfs/dbraw/zinc/73/53/01/1329735301.db2.gz PSBWBUOCMLGQQZ-UHFFFAOYSA-N 0 3 332.238 3.068 20 10 EGCDHN COc1cccc([C@@H](C)NCc2ccc(Br)cn2)c1O ZINC000866572268 1330128228 /nfs/dbraw/zinc/12/82/28/1330128228.db2.gz ZQDDGJQDMORTDL-SNVBAGLBSA-N 0 3 337.217 3.409 20 10 EGCDHN Cc1cc(Br)c([O-])c(CN2CCCC[C@@H](C[NH3+])C2)c1 ZINC001206641497 1371116247 /nfs/dbraw/zinc/11/62/47/1371116247.db2.gz YENKPXWQCFCPTE-LBPRGKRZSA-N 0 3 327.266 3.024 20 10 EGCDHN CN1CCN(c2ccc(CNc3ccc4c(n3)CCC4)cc2F)CC1 ZINC001325164961 1387908734 /nfs/dbraw/zinc/90/87/34/1387908734.db2.gz BACVVJFGOSHXSS-UHFFFAOYSA-N 0 3 340.446 3.073 20 10 EGCDHN CCOc1cccc(CN2CCN(Cc3ccccc3)[C@@H](C)C2)c1O ZINC001203615659 1370189048 /nfs/dbraw/zinc/18/90/48/1370189048.db2.gz VMYHXTQDGJYFAM-KRWDZBQOSA-N 0 3 340.467 3.497 20 10 EGCDHN [O-]c1ccc(Cl)cc1C[N@@H+]1CCCN(Cc2ccncc2)CC1 ZINC001203648168 1370199637 /nfs/dbraw/zinc/19/96/37/1370199637.db2.gz FIIYJMCNJBWVSR-UHFFFAOYSA-N 0 3 331.847 3.149 20 10 EGCDHN [O-]c1ccc(Cl)cc1C[N@H+]1CCCN(Cc2ccncc2)CC1 ZINC001203648168 1370199638 /nfs/dbraw/zinc/19/96/38/1370199638.db2.gz FIIYJMCNJBWVSR-UHFFFAOYSA-N 0 3 331.847 3.149 20 10 EGCDHN CN(C)c1ccc(CN2CCC3(CC2)C(=O)N[C@H]3c2ccccc2)cc1 ZINC001203933514 1370320498 /nfs/dbraw/zinc/32/04/98/1370320498.db2.gz OENPHNLZWDGKNO-FQEVSTJZSA-N 0 3 349.478 3.206 20 10 EGCDHN CN(C)c1ccc(CN2CCC(O)(c3ccccc3F)CC2)cc1 ZINC001203934699 1370321596 /nfs/dbraw/zinc/32/15/96/1370321596.db2.gz ZLSSFHGIUZFURN-UHFFFAOYSA-N 0 3 328.431 3.375 20 10 EGCDHN C[C@@H]1CCN(Cc2ccc(N(C)C)cc2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001203937476 1370322614 /nfs/dbraw/zinc/32/26/14/1370322614.db2.gz RMJXKQOQZNRQHA-QAPCUYQASA-N 0 3 347.503 3.488 20 10 EGCDHN CC(C)(C)OC(=O)N1CCC2(CC[N@@H+]2Cc2ccc(O)cc2[O-])CC1 ZINC001204276560 1370428927 /nfs/dbraw/zinc/42/89/27/1370428927.db2.gz NDZYILRGEQUPMR-UHFFFAOYSA-N 0 3 348.443 3.073 20 10 EGCDHN CC(C)(C)OC(=O)N1CCC2(CC[N@H+]2Cc2ccc(O)cc2[O-])CC1 ZINC001204276560 1370428934 /nfs/dbraw/zinc/42/89/34/1370428934.db2.gz NDZYILRGEQUPMR-UHFFFAOYSA-N 0 3 348.443 3.073 20 10 EGCDHN COC(=O)C[C@@H](C)[N@H+](Cc1ccccc1)Cc1ccc(O)cc1[O-] ZINC001204279966 1370430352 /nfs/dbraw/zinc/43/03/52/1370430352.db2.gz GSZDBYPSGDPGEF-CQSZACIVSA-N 0 3 329.396 3.052 20 10 EGCDHN COC(=O)C[C@@H](C)[N@@H+](Cc1ccccc1)Cc1ccc(O)cc1[O-] ZINC001204279966 1370430353 /nfs/dbraw/zinc/43/03/53/1370430353.db2.gz GSZDBYPSGDPGEF-CQSZACIVSA-N 0 3 329.396 3.052 20 10 EGCDHN CC(C)C(=O)N[C@@H]1CCCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001204329712 1370445255 /nfs/dbraw/zinc/44/52/55/1370445255.db2.gz XMCBMJGLIJPDKI-GOSISDBHSA-N 0 3 329.488 3.023 20 10 EGCDHN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N(C)CCN(C)C)c1 ZINC001116201895 1370858640 /nfs/dbraw/zinc/85/86/40/1370858640.db2.gz HAUHXTVUAIZLRQ-UHFFFAOYSA-N 0 3 333.863 3.381 20 10 EGCDHN Cc1cc([O-])c(CN2C[C@@H](C)CC[C@@H]2C[NH3+])cc1Br ZINC001205855960 1370894104 /nfs/dbraw/zinc/89/41/04/1370894104.db2.gz RGDWOBXHDPYHHQ-GXFFZTMASA-N 0 3 327.266 3.022 20 10 EGCDHN CCN1CCN(c2ccc(Nc3ccc4c(c3)OCCN4)cc2)CC1 ZINC001209726754 1372178348 /nfs/dbraw/zinc/17/83/48/1372178348.db2.gz AJRPRULOJVIPEV-UHFFFAOYSA-N 0 3 338.455 3.376 20 10 EGCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](Oc3ncccn3)C2)cc1Cl ZINC001231872269 1376333996 /nfs/dbraw/zinc/33/39/96/1376333996.db2.gz YADOGLPCDXNTSN-CQSZACIVSA-N 0 3 333.819 3.187 20 10 EGCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](Oc3ncccn3)C2)cc1Cl ZINC001231872269 1376334003 /nfs/dbraw/zinc/33/40/03/1376334003.db2.gz YADOGLPCDXNTSN-CQSZACIVSA-N 0 3 333.819 3.187 20 10 EGCDHN Cc1cc(O)cc(CN(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC001232883095 1376530999 /nfs/dbraw/zinc/53/09/99/1376530999.db2.gz FVNBEFXDUIMDMF-UHFFFAOYSA-N 0 3 326.440 3.169 20 10 EGCDHN [O-]c1ccc2cc(Br)ccc2c1C[N@H+]1CCC[C@H]1CO ZINC001233194076 1376583923 /nfs/dbraw/zinc/58/39/23/1376583923.db2.gz LFEOFVADWMESMN-ZDUSSCGKSA-N 0 3 336.229 3.265 20 10 EGCDHN [O-]c1ccc2cc(Br)ccc2c1C[N@@H+]1CCC[C@H]1CO ZINC001233194076 1376583934 /nfs/dbraw/zinc/58/39/34/1376583934.db2.gz LFEOFVADWMESMN-ZDUSSCGKSA-N 0 3 336.229 3.265 20 10 EGCDHN Cc1ccc(O[C@@H]2CCCN(Cc3cc(O)c(O)cc3O)C2)cc1 ZINC001233484889 1376653089 /nfs/dbraw/zinc/65/30/89/1376653089.db2.gz BBOBFQVEQLQADI-MRXNPFEDSA-N 0 3 329.396 3.155 20 10 EGCDHN COCCN(Cc1cc(Cl)c(C(C)(C)C)cc1[O-])[C@H]1CC[NH2+]C1 ZINC001236332848 1376950487 /nfs/dbraw/zinc/95/04/87/1376950487.db2.gz CAPMWGHMQFUJIQ-AWEZNQCLSA-N 0 3 340.895 3.153 20 10 EGCDHN CC(=O)N[C@H]1CCCN(Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001137858050 1377632657 /nfs/dbraw/zinc/63/26/57/1377632657.db2.gz UUTBHYPEMAUPTH-IBGZPJMESA-N 0 3 325.456 3.195 20 10 EGCDHN [O-]c1c(F)cccc1CN1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001138127421 1377681799 /nfs/dbraw/zinc/68/17/99/1377681799.db2.gz AQVSDFAKPZTXEK-APWZRJJASA-N 0 3 326.415 3.238 20 10 EGCDHN [O-]c1c(F)cccc1CN1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001138127421 1377681800 /nfs/dbraw/zinc/68/18/00/1377681800.db2.gz AQVSDFAKPZTXEK-APWZRJJASA-N 0 3 326.415 3.238 20 10 EGCDHN Cc1nc([C@@H]2CCCN(Cc3ccc4c(c3)CCCN4C)C2)no1 ZINC001138354491 1377708301 /nfs/dbraw/zinc/70/83/01/1377708301.db2.gz LPSVRBFQCDPYJJ-QGZVFWFLSA-N 0 3 326.444 3.140 20 10 EGCDHN CCc1nc(C2CCN(Cc3ccc4c(c3)CCCN4C)CC2)no1 ZINC001138356600 1377708515 /nfs/dbraw/zinc/70/85/15/1377708515.db2.gz RMPWTRCAPVJYKZ-UHFFFAOYSA-N 0 3 340.471 3.394 20 10 EGCDHN COC(=O)c1cc(CN(C)Cc2ccc(N3CCCC3)cc2)cn1C ZINC001139372978 1377874977 /nfs/dbraw/zinc/87/49/77/1377874977.db2.gz SOVFIZCRHGLHNZ-UHFFFAOYSA-N 0 3 341.455 3.044 20 10 EGCDHN Oc1ccc(F)cc1CN1CCC(Oc2cc(Cl)ncn2)CC1 ZINC001140055273 1377996834 /nfs/dbraw/zinc/99/68/34/1377996834.db2.gz PTOKGEDNKRXAQX-UHFFFAOYSA-N 0 3 337.782 3.018 20 10 EGCDHN NC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC001140058948 1377998261 /nfs/dbraw/zinc/99/82/61/1377998261.db2.gz QGWIZGQJLRMZHB-MJGOQNOKSA-N 0 3 342.414 3.155 20 10 EGCDHN NC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC001140058948 1377998262 /nfs/dbraw/zinc/99/82/62/1377998262.db2.gz QGWIZGQJLRMZHB-MJGOQNOKSA-N 0 3 342.414 3.155 20 10 EGCDHN O=C1c2ccccc2CN1[C@@H]1CCCN(Cc2cc(F)ccc2O)C1 ZINC001140060086 1377998512 /nfs/dbraw/zinc/99/85/12/1377998512.db2.gz KEZPWXJIINZZHQ-QGZVFWFLSA-N 0 3 340.398 3.152 20 10 EGCDHN CC(C)[N@@H+]1CCN(Cc2c([O-])cccc2Br)C[C@@H]1C ZINC001140101994 1378007445 /nfs/dbraw/zinc/00/74/45/1378007445.db2.gz GQMROSXKEKYODN-LBPRGKRZSA-N 0 3 327.266 3.069 20 10 EGCDHN CC(C)[N@H+]1CCN(Cc2c([O-])cccc2Br)C[C@@H]1C ZINC001140101994 1378007447 /nfs/dbraw/zinc/00/74/47/1378007447.db2.gz GQMROSXKEKYODN-LBPRGKRZSA-N 0 3 327.266 3.069 20 10 EGCDHN CCN1CCN(c2ccc(CN3CCC[C@H]3C(F)(F)F)cc2)CC1 ZINC001140301976 1378042915 /nfs/dbraw/zinc/04/29/15/1378042915.db2.gz GFYNQILJWZWIJO-KRWDZBQOSA-N 0 3 341.421 3.355 20 10 EGCDHN O=C(NC1CCCC1)[C@H]1CC12CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001273285093 1378094560 /nfs/dbraw/zinc/09/45/60/1378094560.db2.gz NNELEKUQOIVGII-QGZVFWFLSA-N 0 3 346.446 3.192 20 10 EGCDHN COc1ccc(O[C@H]2CCC[N@H+](Cc3ccc(C)cc3[O-])C2)nc1 ZINC001140954506 1378191584 /nfs/dbraw/zinc/19/15/84/1378191584.db2.gz VFUUEPXUVIPTOZ-KRWDZBQOSA-N 0 3 328.412 3.148 20 10 EGCDHN COc1ccc(O[C@H]2CCC[N@@H+](Cc3ccc(C)cc3[O-])C2)nc1 ZINC001140954506 1378191589 /nfs/dbraw/zinc/19/15/89/1378191589.db2.gz VFUUEPXUVIPTOZ-KRWDZBQOSA-N 0 3 328.412 3.148 20 10 EGCDHN CCC[C@H](COC)[N@H+](CCC(=O)OCC)Cc1ccc(C)cc1[O-] ZINC001140958376 1378193654 /nfs/dbraw/zinc/19/36/54/1378193654.db2.gz ZUYYATUJORNOBF-QGZVFWFLSA-N 0 3 337.460 3.271 20 10 EGCDHN CCC[C@H](COC)[N@@H+](CCC(=O)OCC)Cc1ccc(C)cc1[O-] ZINC001140958376 1378193658 /nfs/dbraw/zinc/19/36/58/1378193658.db2.gz ZUYYATUJORNOBF-QGZVFWFLSA-N 0 3 337.460 3.271 20 10 EGCDHN C[NH+]1CCC(c2ccc(NC(=O)c3cccc(O)c3[O-])cc2)CC1 ZINC001148218597 1379134753 /nfs/dbraw/zinc/13/47/53/1379134753.db2.gz HEGBLCZBSMGNGD-UHFFFAOYSA-N 0 3 326.396 3.159 20 10 EGCDHN COC(=O)c1c[nH]c2ncnc(NCc3cc4ccccc4cc3O)c12 ZINC001160206836 1382033418 /nfs/dbraw/zinc/03/34/18/1382033418.db2.gz MAEJHGQEBDUUFN-UHFFFAOYSA-N 0 3 348.362 3.167 20 10 EGCDHN COc1ccc([C@H]2C[C@@H]([NH2+]Cc3cccc(O)c3[O-])CCO2)cc1 ZINC001168608073 1383947526 /nfs/dbraw/zinc/94/75/26/1383947526.db2.gz KFZQMJSMHOPPHZ-MAUKXSAKSA-N 0 3 329.396 3.116 20 10 EGCDHN CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(Br)cc1[O-])C2 ZINC001172113374 1384731617 /nfs/dbraw/zinc/73/16/17/1384731617.db2.gz GPZIMKDSAAELFD-QDMKHBRRSA-N 0 3 339.277 3.260 20 10 EGCDHN Cn1cc(N2CC[C@@H]([NH2+]Cc3cc(-c4ccccc4)ccc3[O-])C2)cn1 ZINC001319950999 1386412864 /nfs/dbraw/zinc/41/28/64/1386412864.db2.gz HAPNOJMOFPCHPZ-LJQANCHMSA-N 0 3 348.450 3.161 20 10 EGCDHN Fc1ccc(C2CN(Cc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC001330866915 1389549011 /nfs/dbraw/zinc/54/90/11/1389549011.db2.gz GZPYTDKSJZOFSU-UHFFFAOYSA-N 0 3 326.415 3.262 20 10 EGCDHN Cc1ncc([C@@H](C)NCc2ccc(N3CCN(C)CC3)c(F)c2)s1 ZINC001348550420 1391236017 /nfs/dbraw/zinc/23/60/17/1391236017.db2.gz UTDDEYGZMXLYPS-CYBMUJFWSA-N 0 3 348.491 3.193 20 10 EGCDHN COc1ccc(CNC2(CNC(=O)C[C@@H]3C=CCCC3)CC2)cc1C ZINC001754518132 1440619071 /nfs/dbraw/zinc/61/90/71/1440619071.db2.gz MRYZDOWORBJIQV-QGZVFWFLSA-N 0 3 342.483 3.488 20 10 EGCDHN Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826268851 947776741 /nfs/dbraw/zinc/77/67/41/947776741.db2.gz PYMMWHOECXYNLM-CQSZACIVSA-N 0 3 336.443 3.092 20 10 EGCDHN Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826268851 947776748 /nfs/dbraw/zinc/77/67/48/947776748.db2.gz PYMMWHOECXYNLM-CQSZACIVSA-N 0 3 336.443 3.092 20 10 EGCDHN C[C@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000007114471 453033903 /nfs/dbraw/zinc/03/39/03/453033903.db2.gz RKCQADXIGYPNPS-INIZCTEOSA-N 0 3 325.456 3.062 20 10 EGCDHN Cc1cc(C(=O)N2CCCN(C(C)C)CC2)c(C)n1-c1ccccn1 ZINC000068779673 454052467 /nfs/dbraw/zinc/05/24/67/454052467.db2.gz GWAZEPPVCXKKPG-UHFFFAOYSA-N 0 3 340.471 3.045 20 10 EGCDHN Cc1ccc(O)c(CN(C)Cc2ccccc2N2CCOCC2)c1 ZINC000121287504 454416146 /nfs/dbraw/zinc/41/61/46/454416146.db2.gz MAGRLXSNKGGNTG-UHFFFAOYSA-N 0 3 326.440 3.169 20 10 EGCDHN Cc1ccc([O-])c(C[N@@H+](C)Cc2ccccc2N2CCOCC2)c1 ZINC000121287504 454416151 /nfs/dbraw/zinc/41/61/51/454416151.db2.gz MAGRLXSNKGGNTG-UHFFFAOYSA-N 0 3 326.440 3.169 20 10 EGCDHN Cc1ccc([O-])c(C[N@H+](C)Cc2ccccc2N2CCOCC2)c1 ZINC000121287504 454416155 /nfs/dbraw/zinc/41/61/55/454416155.db2.gz MAGRLXSNKGGNTG-UHFFFAOYSA-N 0 3 326.440 3.169 20 10 EGCDHN CC(=O)N(C)C1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000092538142 454583112 /nfs/dbraw/zinc/58/31/12/454583112.db2.gz SNQTWDGDABMBPN-UHFFFAOYSA-N 0 3 329.488 3.120 20 10 EGCDHN C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccnc1 ZINC000092740578 454622624 /nfs/dbraw/zinc/62/26/24/454622624.db2.gz SZSPFTVDVKFKKY-AWEZNQCLSA-N 0 3 329.419 3.033 20 10 EGCDHN COc1cccc(C[NH2+][C@H](C)Cc2ccc(OC)c(OC)c2)c1[O-] ZINC000106481596 454696699 /nfs/dbraw/zinc/69/66/99/454696699.db2.gz FWRQEXLOXUYIAI-CYBMUJFWSA-N 0 3 331.412 3.139 20 10 EGCDHN COc1cccc(C[N@H+](CCCO)[C@H]2CCc3ccccc32)c1[O-] ZINC000093389218 454711320 /nfs/dbraw/zinc/71/13/20/454711320.db2.gz IYAJFXRUPZJQKS-SFHVURJKSA-N 0 3 327.424 3.273 20 10 EGCDHN COc1cccc(C[N@@H+](CCCO)[C@H]2CCc3ccccc32)c1[O-] ZINC000093389218 454711325 /nfs/dbraw/zinc/71/13/25/454711325.db2.gz IYAJFXRUPZJQKS-SFHVURJKSA-N 0 3 327.424 3.273 20 10 EGCDHN C[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1cc(F)ccc1[O-] ZINC000184894481 455468900 /nfs/dbraw/zinc/46/89/00/455468900.db2.gz HBGGOIAMFPJHHY-OAHLLOKOSA-N 0 3 344.430 3.214 20 10 EGCDHN Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1F ZINC000184981937 455481660 /nfs/dbraw/zinc/48/16/60/455481660.db2.gz LVOMCAIQVQVOGE-GFCCVEGCSA-N 0 3 334.366 3.059 20 10 EGCDHN Cc1ncc(/C=C/C(=O)N2C[C@@H]3CCCN3Cc3ccccc32)s1 ZINC000112237117 454883391 /nfs/dbraw/zinc/88/33/91/454883391.db2.gz KXMVLSJDCDQUPO-FDMDGMSGSA-N 0 3 339.464 3.476 20 10 EGCDHN CCC(=O)N1CC[C@@H](N[C@H](C)c2ccc(N3CCCCC3)c(F)c2)C1 ZINC000126395716 454891211 /nfs/dbraw/zinc/89/12/11/454891211.db2.gz OTMOXGRJLNWRAM-NVXWUHKLSA-N 0 3 347.478 3.478 20 10 EGCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+][C@@H]2CCSC2)C1 ZINC000167907013 454924052 /nfs/dbraw/zinc/92/40/52/454924052.db2.gz NHZWVUCVLSZFOC-LSDHHAIUSA-N 0 3 326.893 3.105 20 10 EGCDHN CC[C@@H](NCc1cccc(C(=O)NC)c1)c1ccc(N(C)C)cc1 ZINC000178689424 454967810 /nfs/dbraw/zinc/96/78/10/454967810.db2.gz QSJMCKQQYVZNIN-LJQANCHMSA-N 0 3 325.456 3.353 20 10 EGCDHN CC[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1ccccc1[O-] ZINC000155235349 454977434 /nfs/dbraw/zinc/97/74/34/454977434.db2.gz SSHLHIAVQCQAJK-KRWDZBQOSA-N 0 3 333.453 3.178 20 10 EGCDHN O=C(Nc1ccccc1)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000179563209 455058700 /nfs/dbraw/zinc/05/87/00/455058700.db2.gz JDICVXBDGOHDKB-UHFFFAOYSA-N 0 3 325.412 3.178 20 10 EGCDHN Cc1cccc(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)c1[O-] ZINC000179851169 455088908 /nfs/dbraw/zinc/08/89/08/455088908.db2.gz SWEHHBCYBNTPNL-UHFFFAOYSA-N 0 3 330.453 3.157 20 10 EGCDHN CCc1cc(N2CCC([NH2+][C@H](CC)c3ccccc3[O-])CC2)ncn1 ZINC000156211751 455093218 /nfs/dbraw/zinc/09/32/18/455093218.db2.gz WQUUWVXHKMBMBO-GOSISDBHSA-N 0 3 340.471 3.454 20 10 EGCDHN Cc1cc(O)c(CN(C)Cc2ccccc2N2CCOCC2)cc1C ZINC000171801903 455095428 /nfs/dbraw/zinc/09/54/28/455095428.db2.gz IEIXJBYGELKVMI-UHFFFAOYSA-N 0 3 340.467 3.478 20 10 EGCDHN CCOC[C@H]1CC[N@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000180621830 455211697 /nfs/dbraw/zinc/21/16/97/455211697.db2.gz SIMHWFAAJHKIBR-LBPRGKRZSA-N 0 3 328.250 3.322 20 10 EGCDHN CCOC[C@H]1CC[N@@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000180621830 455211702 /nfs/dbraw/zinc/21/17/02/455211702.db2.gz SIMHWFAAJHKIBR-LBPRGKRZSA-N 0 3 328.250 3.322 20 10 EGCDHN C[C@H]([NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccccc1[O-] ZINC000183446061 455294085 /nfs/dbraw/zinc/29/40/85/455294085.db2.gz WXOCVBGHQOLNHX-IFXJQAMLSA-N 0 3 340.423 3.361 20 10 EGCDHN Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000158568652 455313886 /nfs/dbraw/zinc/31/38/86/455313886.db2.gz FTCJUZVFRBFKOF-HUUCEWRRSA-N 0 3 333.453 3.214 20 10 EGCDHN COc1ccc([C@H]2CC[N@H+](Cc3cc(OC)c(OC)cc3[O-])C2)cc1 ZINC000160064825 455425307 /nfs/dbraw/zinc/42/53/07/455425307.db2.gz UOWWPAPRPWZWGJ-HNNXBMFYSA-N 0 3 343.423 3.408 20 10 EGCDHN COc1ccc([C@H]2CC[N@@H+](Cc3cc(OC)c(OC)cc3[O-])C2)cc1 ZINC000160064825 455425309 /nfs/dbraw/zinc/42/53/09/455425309.db2.gz UOWWPAPRPWZWGJ-HNNXBMFYSA-N 0 3 343.423 3.408 20 10 EGCDHN COc1ccc([O-])c(C[NH2+]C2(c3cccc(F)c3)CCOCC2)c1 ZINC000182478985 455522295 /nfs/dbraw/zinc/52/22/95/455522295.db2.gz HGNKONNDHPFXFN-UHFFFAOYSA-N 0 3 331.387 3.335 20 10 EGCDHN COc1ccc(O)c(CNC2(c3cccc(F)c3)CCOCC2)c1 ZINC000182478985 455522300 /nfs/dbraw/zinc/52/23/00/455522300.db2.gz HGNKONNDHPFXFN-UHFFFAOYSA-N 0 3 331.387 3.335 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCCc2nnc3n2CCCCC3)c1 ZINC000185321641 455539357 /nfs/dbraw/zinc/53/93/57/455539357.db2.gz YBVWDTBIAKFTLL-CQSZACIVSA-N 0 3 344.459 3.002 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCCc2nnc3n2CCCCC3)c1 ZINC000185321624 455539564 /nfs/dbraw/zinc/53/95/64/455539564.db2.gz YBVWDTBIAKFTLL-AWEZNQCLSA-N 0 3 344.459 3.002 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]CCNc2nccc(C(F)(F)F)n2)c([O-])c1 ZINC000185498746 455568678 /nfs/dbraw/zinc/56/86/78/455568678.db2.gz AKNIRBCCTPBBKU-NSHDSACASA-N 0 3 340.349 3.272 20 10 EGCDHN Cc1cc(C)c([C@@H](C)NCc2cccnc2N2CCOCC2)c(O)c1 ZINC000284076800 455632493 /nfs/dbraw/zinc/63/24/93/455632493.db2.gz LQMDHUXLSWSXRT-MRXNPFEDSA-N 0 3 341.455 3.091 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C2CCN(c3ccccn3)CC2)c1 ZINC000192709361 455674611 /nfs/dbraw/zinc/67/46/11/455674611.db2.gz BHMDSCRYNRQYDN-CQSZACIVSA-N 0 3 327.428 3.115 20 10 EGCDHN CCc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3cc(C)ccc3[O-])C2)ncn1 ZINC000186023478 455677700 /nfs/dbraw/zinc/67/77/00/455677700.db2.gz FTIIVIMCWHLEBX-DOTOQJQBSA-N 0 3 340.471 3.373 20 10 EGCDHN CCCOc1ccc(CN2CCOC[C@@H]2[C@@H]2CCC[C@@H]2OC)c(O)c1 ZINC000284791917 455742396 /nfs/dbraw/zinc/74/23/96/455742396.db2.gz ZFZATASQXCZBKW-NSHGMRRFSA-N 0 3 349.471 3.197 20 10 EGCDHN Cc1cc(CN2CC[C@H](C(F)(F)F)[C@H](CO)C2)ccc1N(C)C ZINC000293470169 455788021 /nfs/dbraw/zinc/78/80/21/455788021.db2.gz DZRCWKULTCUHRW-GJZGRUSLSA-N 0 3 330.394 3.054 20 10 EGCDHN CCNC(=O)[C@H](C)[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000293870600 455799246 /nfs/dbraw/zinc/79/92/46/455799246.db2.gz UXRDVQQDLLOCOZ-YJBOKZPZSA-N 0 3 326.440 3.180 20 10 EGCDHN Cc1cc(CN(C)[C@@H](CC(N)=O)c2ccccc2)ccc1N(C)C ZINC000294121772 455805928 /nfs/dbraw/zinc/80/59/28/455805928.db2.gz NLCXDOGTXZOBHV-IBGZPJMESA-N 0 3 325.456 3.110 20 10 EGCDHN C[C@H](C[S@](C)=O)[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000294444925 455815683 /nfs/dbraw/zinc/81/56/83/455815683.db2.gz VJLXWBDXTPCHGV-YLEKAMJDSA-N 0 3 331.481 3.423 20 10 EGCDHN Cc1cc(C)c([C@@H](C)[NH2+]C2CCN(c3cccnn3)CC2)c([O-])c1 ZINC000285302452 455820720 /nfs/dbraw/zinc/82/07/20/455820720.db2.gz SCHAHCZKVAWNRH-OAHLLOKOSA-N 0 3 326.444 3.119 20 10 EGCDHN Cc1cc(C)c([C@H](C)[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)c([O-])c1 ZINC000285321131 455823394 /nfs/dbraw/zinc/82/33/94/455823394.db2.gz TWNLMSVDCGYVJF-CGTJXYLNSA-N 0 3 332.488 3.037 20 10 EGCDHN Cc1cc(C)c([C@H](C)[NH2+]CC(=O)NCCc2ccccc2)c([O-])c1 ZINC000294957902 455833541 /nfs/dbraw/zinc/83/35/41/455833541.db2.gz YWKNCGAANQLLQJ-INIZCTEOSA-N 0 3 326.440 3.019 20 10 EGCDHN Cc1cc(C)c([C@H](C)NCC(=O)NCCc2ccccc2)c(O)c1 ZINC000294957902 455833543 /nfs/dbraw/zinc/83/35/43/455833543.db2.gz YWKNCGAANQLLQJ-INIZCTEOSA-N 0 3 326.440 3.019 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ccnn3C)C2)c([O-])c1C ZINC000278440148 455836534 /nfs/dbraw/zinc/83/65/34/455836534.db2.gz KIZBWZTTYQBYAG-HOTGVXAUSA-N 0 3 328.460 3.062 20 10 EGCDHN CC(=O)Nc1ccc(CN[C@H](C)c2cc3c(cc2O)CCCC3)cn1 ZINC000279092978 455857695 /nfs/dbraw/zinc/85/76/95/455857695.db2.gz NOEQAEXQDYSKIZ-CYBMUJFWSA-N 0 3 339.439 3.475 20 10 EGCDHN CC(=O)Nc1ccc(C[NH2+][C@H](C)c2cc3c(cc2[O-])CCCC3)cn1 ZINC000279092978 455857699 /nfs/dbraw/zinc/85/76/99/455857699.db2.gz NOEQAEXQDYSKIZ-CYBMUJFWSA-N 0 3 339.439 3.475 20 10 EGCDHN COc1cccc([C@@H](C[NH2+][C@H]2CCc3cccc([O-])c32)N(C)C)c1 ZINC000295901207 455862147 /nfs/dbraw/zinc/86/21/47/455862147.db2.gz IQNNFBDXYKGCDC-ZWKOTPCHSA-N 0 3 326.440 3.281 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@](C)(O)CC2)c1[O-] ZINC000279623370 455869210 /nfs/dbraw/zinc/86/92/10/455869210.db2.gz HDZVIJBMGYBGBB-HNNXBMFYSA-N 0 3 328.250 3.200 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@](C)(O)CC2)c1[O-] ZINC000279623370 455869215 /nfs/dbraw/zinc/86/92/15/455869215.db2.gz HDZVIJBMGYBGBB-HNNXBMFYSA-N 0 3 328.250 3.200 20 10 EGCDHN C[C@@H]([NH2+]CCCCn1cc(Br)cn1)c1ccccc1[O-] ZINC000279928217 455878138 /nfs/dbraw/zinc/87/81/38/455878138.db2.gz ANBOXIFVFCXSNV-GFCCVEGCSA-N 0 3 338.249 3.482 20 10 EGCDHN CC[C@@H]([NH2+]C1CCN(c2cccnn2)CC1)c1ccc(C)cc1[O-] ZINC000280079123 455886387 /nfs/dbraw/zinc/88/63/87/455886387.db2.gz LQBUHNFTJMVCFJ-QGZVFWFLSA-N 0 3 326.444 3.200 20 10 EGCDHN O=C(Nc1ccccc1)N1CC[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000296624445 455992971 /nfs/dbraw/zinc/99/29/71/455992971.db2.gz ZLNOTOHPTPIFCE-SJORKVTESA-N 0 3 337.423 3.276 20 10 EGCDHN CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296690716 456010807 /nfs/dbraw/zinc/01/08/07/456010807.db2.gz HDKVKMDVPPAWKP-WBVHZDCISA-N 0 3 345.464 3.222 20 10 EGCDHN O=C1C[C@@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)CN1Cc1ccccc1 ZINC000296736107 456023668 /nfs/dbraw/zinc/02/36/68/456023668.db2.gz JCORPTOSEUAPDX-FUHWJXTLSA-N 0 3 336.435 3.018 20 10 EGCDHN COC[C@@H](NCc1ccc(N(C)C)cc1C(F)(F)F)[C@H]1CCCO1 ZINC000280689201 456031885 /nfs/dbraw/zinc/03/18/85/456031885.db2.gz VPBDWRDFWFWMAF-HZPDHXFCSA-N 0 3 346.393 3.055 20 10 EGCDHN CCN(C)C(=O)[C@H](C)NCc1ccc(N(C)Cc2cccs2)cc1 ZINC000296977044 456081299 /nfs/dbraw/zinc/08/12/99/456081299.db2.gz VCNDCMGVSSUDGK-HNNXBMFYSA-N 0 3 345.512 3.341 20 10 EGCDHN O[C@H]1c2ccccc2OC[C@H]1NCc1ccc(N2CCCCC2)cc1 ZINC000288699223 456102298 /nfs/dbraw/zinc/10/22/98/456102298.db2.gz YJYTXJLELAGRGR-CTNGQTDRSA-N 0 3 338.451 3.261 20 10 EGCDHN COc1cccc(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])c1[O-] ZINC000289452501 456125124 /nfs/dbraw/zinc/12/51/24/456125124.db2.gz NIACEHZGATXHSW-CYBMUJFWSA-N 0 3 330.384 3.420 20 10 EGCDHN Fc1cncc([C@H](NCc2ccc(N3CCOCC3)cc2)C2CC2)c1 ZINC000281307245 456196984 /nfs/dbraw/zinc/19/69/84/456196984.db2.gz RPHXLZSLAIRXNZ-HXUWFJFHSA-N 0 3 341.430 3.298 20 10 EGCDHN CCOc1ccc([O-])c(C[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)c1 ZINC000289967777 456198982 /nfs/dbraw/zinc/19/89/82/456198982.db2.gz VXFJPAHZTIDYCU-ICSRJNTNSA-N 0 3 327.424 3.047 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000273435193 456230130 /nfs/dbraw/zinc/23/01/30/456230130.db2.gz WUAIPJICESAHID-DOTOQJQBSA-N 0 3 326.440 3.326 20 10 EGCDHN Cc1ccc([C@H](C)NCc2cccnc2N2CCOCC2)c(O)c1C ZINC000273434997 456230336 /nfs/dbraw/zinc/23/03/36/456230336.db2.gz WRXGRQHHBTWEJH-INIZCTEOSA-N 0 3 341.455 3.091 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccccc2CS(C)(=O)=O)c([O-])c1C ZINC000273464941 456233813 /nfs/dbraw/zinc/23/38/13/456233813.db2.gz DMPGWPMEDLKGHU-HNNXBMFYSA-N 0 3 347.480 3.404 20 10 EGCDHN C[C@@H]([NH2+]CCc1cn2c(n1)SCC2)c1cc2c(cc1[O-])CCCC2 ZINC000274425227 456258910 /nfs/dbraw/zinc/25/89/10/456258910.db2.gz UUBATUOJMBKVGL-CYBMUJFWSA-N 0 3 343.496 3.467 20 10 EGCDHN [O-]c1cccc2c1[C@H]([NH2+]Cc1cc(F)ccc1N1CCOCC1)CC2 ZINC000297654424 456270948 /nfs/dbraw/zinc/27/09/48/456270948.db2.gz KHZRERPAMDMIPY-QGZVFWFLSA-N 0 3 342.414 3.145 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+](C)[C@H]2CCN(C)C[C@H]2C)c1[O-] ZINC000290320582 456290712 /nfs/dbraw/zinc/29/07/12/456290712.db2.gz CYHSZPVKBRXJQL-DOMZBBRYSA-N 0 3 341.293 3.235 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+](C)[C@H]2CCN(C)C[C@H]2C)c1[O-] ZINC000290320582 456290718 /nfs/dbraw/zinc/29/07/18/456290718.db2.gz CYHSZPVKBRXJQL-DOMZBBRYSA-N 0 3 341.293 3.235 20 10 EGCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@](O)(c1ccccc1)C(F)(F)F)CC2 ZINC000297869638 456312229 /nfs/dbraw/zinc/31/22/29/456312229.db2.gz UOGVCHSNNGZBRR-YOEHRIQHSA-N 0 3 337.341 3.419 20 10 EGCDHN COc1cccc(C[NH2+]C[C@]2(C)CCN(Cc3ccccc3)C2)c1[O-] ZINC000311188447 456588009 /nfs/dbraw/zinc/58/80/09/456588009.db2.gz DFUGKKUXKVEERU-NRFANRHFSA-N 0 3 340.467 3.403 20 10 EGCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)cc1OC ZINC000362636174 457017869 /nfs/dbraw/zinc/01/78/69/457017869.db2.gz DKWDYMPYTQQHIT-CABCVRRESA-N 0 3 335.444 3.048 20 10 EGCDHN COc1cc([O-])c(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)cc1OC ZINC000362636174 457017874 /nfs/dbraw/zinc/01/78/74/457017874.db2.gz DKWDYMPYTQQHIT-CABCVRRESA-N 0 3 335.444 3.048 20 10 EGCDHN CC[C@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1ccc(C)cc1[O-] ZINC000366420914 457811300 /nfs/dbraw/zinc/81/13/00/457811300.db2.gz XRYIAEJUZHWMAQ-IRXDYDNUSA-N 0 3 329.444 3.008 20 10 EGCDHN CC[C@@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1ccc(C)cc1[O-] ZINC000366420915 457811676 /nfs/dbraw/zinc/81/16/76/457811676.db2.gz XRYIAEJUZHWMAQ-SJORKVTESA-N 0 3 329.444 3.008 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c1[O-] ZINC000371845591 458093986 /nfs/dbraw/zinc/09/39/86/458093986.db2.gz GIUKKFHLUCBREN-CYBMUJFWSA-N 0 3 325.836 3.303 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](C3CCOCC3)C2)c1[O-] ZINC000371845591 458093996 /nfs/dbraw/zinc/09/39/96/458093996.db2.gz GIUKKFHLUCBREN-CYBMUJFWSA-N 0 3 325.836 3.303 20 10 EGCDHN COc1cccc(C[N@@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)c1[O-] ZINC000362388945 458145636 /nfs/dbraw/zinc/14/56/36/458145636.db2.gz JMBKYZBMDYTTJI-PKOBYXMFSA-N 0 3 327.424 3.489 20 10 EGCDHN COc1cccc(C[N@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)c1[O-] ZINC000362388945 458145639 /nfs/dbraw/zinc/14/56/39/458145639.db2.gz JMBKYZBMDYTTJI-PKOBYXMFSA-N 0 3 327.424 3.489 20 10 EGCDHN C[C@H](NCc1ccc(N2CCCC2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000177975885 547031752 /nfs/dbraw/zinc/03/17/52/547031752.db2.gz AFAJQRJRPMPYGY-INIZCTEOSA-N 0 3 348.454 3.113 20 10 EGCDHN Fc1cc(CNCCSC(F)(F)F)ccc1N1CCOCC1 ZINC000727466848 574669366 /nfs/dbraw/zinc/66/93/66/574669366.db2.gz KHYLQBBAJVBEAD-UHFFFAOYSA-N 0 3 338.370 3.005 20 10 EGCDHN CC(C)[C@H](C(=O)NCc1ccc2c(c1)CCCN2C)N1CCCCC1 ZINC000729349724 574845659 /nfs/dbraw/zinc/84/56/59/574845659.db2.gz NRXWQTBYBMSDRR-HXUWFJFHSA-N 0 3 343.515 3.196 20 10 EGCDHN CCN(CC)c1ccc(CNC(=O)NC[C@H]2CCCCN2CC)cc1 ZINC000732241532 575248754 /nfs/dbraw/zinc/24/87/54/575248754.db2.gz LHQOGKGQPLREKI-LJQANCHMSA-N 0 3 346.519 3.206 20 10 EGCDHN COC(=O)c1ccc(CN(C)c2ccc(OCCN(C)C)cc2)cc1 ZINC000732411210 575268431 /nfs/dbraw/zinc/26/84/31/575268431.db2.gz URORRRVIXUPIAT-UHFFFAOYSA-N 0 3 342.439 3.050 20 10 EGCDHN O=C(/C=C/c1cncc(F)c1)N(CCN1CCCC1)c1ccccc1 ZINC000739649353 576438523 /nfs/dbraw/zinc/43/85/23/576438523.db2.gz MJPQLYKJGCQEBW-CMDGGOBGSA-N 0 3 339.414 3.363 20 10 EGCDHN CN1CCN(c2cccc(Cl)c2CNCc2ccccc2O)CC1 ZINC000742393494 576778545 /nfs/dbraw/zinc/77/85/45/576778545.db2.gz XQYOTGOMXBMDNO-UHFFFAOYSA-N 0 3 345.874 3.087 20 10 EGCDHN COC(=O)C[C@@H]1CCCC[N@@H+]1Cc1c([O-])ccc2ccc(OC)cc21 ZINC000745438207 576847999 /nfs/dbraw/zinc/84/79/99/576847999.db2.gz SQHKXAZUOSAHKF-HNNXBMFYSA-N 0 3 343.423 3.472 20 10 EGCDHN COC(=O)C[C@@H]1CCCC[N@H+]1Cc1c([O-])ccc2ccc(OC)cc21 ZINC000745438207 576848000 /nfs/dbraw/zinc/84/80/00/576848000.db2.gz SQHKXAZUOSAHKF-HNNXBMFYSA-N 0 3 343.423 3.472 20 10 EGCDHN Cc1ccc(O)c(C[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1 ZINC000826291830 608532958 /nfs/dbraw/zinc/53/29/58/608532958.db2.gz XUILKWKLIMRMQU-UHFFFAOYSA-N 0 3 337.427 3.291 20 10 EGCDHN Cc1ccc(O)c(C[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1 ZINC000826291830 608532959 /nfs/dbraw/zinc/53/29/59/608532959.db2.gz XUILKWKLIMRMQU-UHFFFAOYSA-N 0 3 337.427 3.291 20 10 EGCDHN Cc1ccc(O)c(C[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC000826291830 608532960 /nfs/dbraw/zinc/53/29/60/608532960.db2.gz XUILKWKLIMRMQU-UHFFFAOYSA-N 0 3 337.427 3.291 20 10 EGCDHN Cc1ccc(O)c(C[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC000826291830 608532961 /nfs/dbraw/zinc/53/29/61/608532961.db2.gz XUILKWKLIMRMQU-UHFFFAOYSA-N 0 3 337.427 3.291 20 10 EGCDHN CC1CCN(CCC[NH2+]Cc2cccc(Br)c2[O-])CC1 ZINC000048795294 1291618151 /nfs/dbraw/zinc/61/81/51/1291618151.db2.gz GMOGQCRDLQOUQT-UHFFFAOYSA-N 0 3 341.293 3.366 20 10 EGCDHN Cc1cc(C(=O)NCCN2CCCCC2)c(C)n1-c1ccc(F)cc1 ZINC000058953602 1291909421 /nfs/dbraw/zinc/90/94/21/1291909421.db2.gz VXENJLIUGOHVAC-UHFFFAOYSA-N 0 3 343.446 3.449 20 10 EGCDHN Cc1cc(Br)c([O-])c(CN2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000843052540 1321462481 /nfs/dbraw/zinc/46/24/81/1321462481.db2.gz VNABLLHUOSFTPM-RYUDHWBXSA-N 0 3 327.266 3.022 20 10 EGCDHN O=C(N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)ccc1[O-])c1ccccc1 ZINC000827769709 1292370068 /nfs/dbraw/zinc/37/00/68/1292370068.db2.gz SZBWKKQZPLTORE-QZTJIDSGSA-N 0 3 342.414 3.362 20 10 EGCDHN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000827949860 1292410860 /nfs/dbraw/zinc/41/08/60/1292410860.db2.gz OKSQYQKUDGJJMG-ZDUSSCGKSA-N 0 3 326.843 3.396 20 10 EGCDHN Cc1cc(CN2CC[C@H](OC(=O)N(C)C)C2)ccc1N1CCCCC1 ZINC000830514326 1292726437 /nfs/dbraw/zinc/72/64/37/1292726437.db2.gz DWOBSSKLOWWZHT-SFHVURJKSA-N 0 3 345.487 3.258 20 10 EGCDHN CC[C@@H](C(=O)Nc1ccc(OC)cc1)N(C)Cc1ccccc1O ZINC000111235475 1293101783 /nfs/dbraw/zinc/10/17/83/1293101783.db2.gz UEZPHSFNKBBMJW-KRWDZBQOSA-N 0 3 328.412 3.250 20 10 EGCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCOc1ncccc1C(F)(F)F)CC2 ZINC000834689833 1293132734 /nfs/dbraw/zinc/13/27/34/1293132734.db2.gz SYLPCQYPSXKFEP-ZDUSSCGKSA-N 0 3 338.329 3.462 20 10 EGCDHN Oc1cc2c(cc1CNCc1sccc1Br)OCO2 ZINC000112838206 1293135119 /nfs/dbraw/zinc/13/51/19/1293135119.db2.gz DQEZYAYPQHPYJV-UHFFFAOYSA-N 0 3 342.214 3.235 20 10 EGCDHN CCOC(=O)N1CCC([C@@H](C)[NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000834774825 1293145542 /nfs/dbraw/zinc/14/55/42/1293145542.db2.gz RSNQACTVGZJBKW-CJNGLKHVSA-N 0 3 332.444 3.226 20 10 EGCDHN C[C@H]([NH2+][C@@H]1C[C@@H](OC(C)(C)C)[C@@H]1n1cccn1)c1ccccc1[O-] ZINC000834903101 1293170021 /nfs/dbraw/zinc/17/00/21/1293170021.db2.gz IVXRARPZGISBPU-PAYONLEZSA-N 0 3 329.444 3.437 20 10 EGCDHN Cn1cccc1C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000119260739 1293262038 /nfs/dbraw/zinc/26/20/38/1293262038.db2.gz JLMVFEUDZACTCA-MRXNPFEDSA-N 0 3 333.863 3.138 20 10 EGCDHN CN(C)CCN(C(=O)/C=C/c1ccc(Cl)nc1)c1ccccc1 ZINC000121296233 1293364204 /nfs/dbraw/zinc/36/42/04/1293364204.db2.gz PNBLSZPPLMATDI-PKNBQFBNSA-N 0 3 329.831 3.343 20 10 EGCDHN CCCCNC(=O)[C@@H]1CCCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000124920075 1293488446 /nfs/dbraw/zinc/48/84/46/1293488446.db2.gz JQDPLPCCVFWXNV-MRXNPFEDSA-N 0 3 335.467 3.020 20 10 EGCDHN COC(=O)C[C@H]1CCC[N@@H+]1Cc1c([O-])ccc2ccc(OC)cc21 ZINC000178776291 1294754375 /nfs/dbraw/zinc/75/43/75/1294754375.db2.gz FZHNHVHEPKUWNA-CQSZACIVSA-N 0 3 329.396 3.082 20 10 EGCDHN COC(=O)C[C@H]1CCC[N@H+]1Cc1c([O-])ccc2ccc(OC)cc21 ZINC000178776291 1294754383 /nfs/dbraw/zinc/75/43/83/1294754383.db2.gz FZHNHVHEPKUWNA-CQSZACIVSA-N 0 3 329.396 3.082 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCC(=O)N(C)CC2CCCCC2)c1 ZINC000182347555 1295039208 /nfs/dbraw/zinc/03/92/08/1295039208.db2.gz BXYSMHBYZMCIJU-AWEZNQCLSA-N 0 3 334.460 3.090 20 10 EGCDHN COc1cc(OC)c(CC[NH2+][C@@H](C)c2cc(F)ccc2[O-])c(OC)c1 ZINC000185401451 1295260325 /nfs/dbraw/zinc/26/03/25/1295260325.db2.gz SIXPRKORFNNHCP-LBPRGKRZSA-N 0 3 349.402 3.450 20 10 EGCDHN CN(C)c1ccc(CNC(=O)CN[C@H](c2ccccc2)C2CC2)cc1 ZINC000192508899 1295771488 /nfs/dbraw/zinc/77/14/88/1295771488.db2.gz BXEZLZRMKDXLJQ-OAQYLSRUSA-N 0 3 337.467 3.110 20 10 EGCDHN COc1ccc(CNCc2ccc3c(c2)COC3)cc1Cn1cccn1 ZINC000873081974 1297264493 /nfs/dbraw/zinc/26/44/93/1297264493.db2.gz XQVKCVZPPFHHRD-UHFFFAOYSA-N 0 3 349.434 3.260 20 10 EGCDHN CC(C)(C)OC(=O)NC[C@@H]([NH2+][C@@H]1CCc2cccc([O-])c21)C1CC1 ZINC000393828095 1297671687 /nfs/dbraw/zinc/67/16/87/1297671687.db2.gz IQKZQINADRHXIM-HUUCEWRRSA-N 0 3 332.444 3.272 20 10 EGCDHN CCCCOCCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000725848962 1298374436 /nfs/dbraw/zinc/37/44/36/1298374436.db2.gz DZFUFKHHAGCIMQ-UHFFFAOYSA-N 0 3 335.448 3.491 20 10 EGCDHN Cc1cccc([O-])c1C[NH+]1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000876614906 1298868895 /nfs/dbraw/zinc/86/88/95/1298868895.db2.gz WHEWKYVEFBEVME-HNNXBMFYSA-N 0 3 330.472 3.171 20 10 EGCDHN Cc1cccc([O-])c1C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000876636903 1298888664 /nfs/dbraw/zinc/88/86/64/1298888664.db2.gz MYZDKDWMMOFZFE-UHFFFAOYSA-N 0 3 339.439 3.487 20 10 EGCDHN Cc1ccc(C[N@H+]2C[C@H](CNC(=O)OC(C)(C)C)C[C@H]2C)c([O-])c1 ZINC000876815242 1299007603 /nfs/dbraw/zinc/00/76/03/1299007603.db2.gz VVGPUIGMNXLBAF-CABCVRRESA-N 0 3 334.460 3.436 20 10 EGCDHN Cc1ccc(C[N@@H+]2C[C@H](CNC(=O)OC(C)(C)C)C[C@H]2C)c([O-])c1 ZINC000876815242 1299007610 /nfs/dbraw/zinc/00/76/10/1299007610.db2.gz VVGPUIGMNXLBAF-CABCVRRESA-N 0 3 334.460 3.436 20 10 EGCDHN COc1ccc([C@@H](C[NH2+]Cc2c(C)cccc2[O-])N(C)C)cc1OC ZINC000876892946 1299052805 /nfs/dbraw/zinc/05/28/05/1299052805.db2.gz MFHPLUHVKRMPKG-QGZVFWFLSA-N 0 3 344.455 3.110 20 10 EGCDHN Cc1ccc(C[N@H+]2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000877167602 1299190299 /nfs/dbraw/zinc/19/02/99/1299190299.db2.gz CYDQYNALYIMCFY-LSDHHAIUSA-N 0 3 334.460 3.436 20 10 EGCDHN Cc1ccc(C[N@@H+]2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000877167602 1299190306 /nfs/dbraw/zinc/19/03/06/1299190306.db2.gz CYDQYNALYIMCFY-LSDHHAIUSA-N 0 3 334.460 3.436 20 10 EGCDHN C[C@H](c1cccnc1)N(C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877317457 1299246026 /nfs/dbraw/zinc/24/60/26/1299246026.db2.gz OGOLEBXQGXPDRR-MRXNPFEDSA-N 0 3 325.456 3.236 20 10 EGCDHN CCN1CCN(c2cccc(NCc3c(C)cccc3O)c2)CC1 ZINC000877404107 1299281733 /nfs/dbraw/zinc/28/17/33/1299281733.db2.gz YGKYKDKRWLRRLZ-UHFFFAOYSA-N 0 3 325.456 3.455 20 10 EGCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC000877522846 1299366507 /nfs/dbraw/zinc/36/65/07/1299366507.db2.gz SFTXCRWZWVSPET-CYBMUJFWSA-N 0 3 344.377 3.124 20 10 EGCDHN COc1cccc(CN2CC[C@]3(C2)CC(=O)c2ccccc2O3)c1O ZINC000877589040 1299417037 /nfs/dbraw/zinc/41/70/37/1299417037.db2.gz FUQGEXOIGIYEJN-HXUWFJFHSA-N 0 3 339.391 3.011 20 10 EGCDHN C[C@@H]1CN(Cc2ccc(N3CCC(O)CC3)cc2)CC2(CCCC2)O1 ZINC000877608698 1299428068 /nfs/dbraw/zinc/42/80/68/1299428068.db2.gz UZLZWDDDFNNGMT-QGZVFWFLSA-N 0 3 344.499 3.181 20 10 EGCDHN CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000877755679 1299530727 /nfs/dbraw/zinc/53/07/27/1299530727.db2.gz LKOLATDDFMOZKS-FRRDWIJNSA-N 0 3 327.371 3.410 20 10 EGCDHN CC[C@@H]([NH2+]Cc1ccccc1[O-])[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000756047242 1300432053 /nfs/dbraw/zinc/43/20/53/1300432053.db2.gz QQTHNZNIKLQUFG-UYAOXDASSA-N 0 3 336.439 3.450 20 10 EGCDHN CC(C)[C@H](C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)N1CCOCC1 ZINC000756369379 1300477934 /nfs/dbraw/zinc/47/79/34/1300477934.db2.gz SFIKNCKLVUTHSN-BMFZPTHFSA-N 0 3 336.451 3.026 20 10 EGCDHN CCOC(=O)N1CCC([NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)CC1 ZINC000756379772 1300479372 /nfs/dbraw/zinc/47/93/72/1300479372.db2.gz BPFVPKSGGFCOQI-SMDDNHRTSA-N 0 3 336.407 3.290 20 10 EGCDHN COCCOc1ncccc1CN[C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756432194 1300489596 /nfs/dbraw/zinc/48/95/96/1300489596.db2.gz PYLPPBQBILTVHP-IUODEOHRSA-N 0 3 346.402 3.290 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2c(C)cccc2C)c([O-])c1 ZINC000756457109 1300496384 /nfs/dbraw/zinc/49/63/84/1300496384.db2.gz GCSOWLMHRXGSEF-SJORKVTESA-N 0 3 329.440 3.408 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2cccc(F)c2)c2c1c(F)ccc2[O-] ZINC000756462136 1300497541 /nfs/dbraw/zinc/49/75/41/1300497541.db2.gz ZWJDWJWPYWKYEW-PVXIVEMSSA-N 0 3 349.377 3.248 20 10 EGCDHN COc1cccc(N2CC[C@@H]([NH2+][C@H](C)c3cc(F)ccc3[O-])C2)c1 ZINC000756538697 1300517107 /nfs/dbraw/zinc/51/71/07/1300517107.db2.gz FABPPKXGVZXCCI-UKRRQHHQSA-N 0 3 330.403 3.469 20 10 EGCDHN COC(=O)c1ccc([O-])c([C@@H](C)NCCC[NH+](C(C)C)C(C)C)c1 ZINC000756630986 1300536600 /nfs/dbraw/zinc/53/66/00/1300536600.db2.gz WTQVUUCMYIDZAS-OAHLLOKOSA-N 0 3 336.476 3.338 20 10 EGCDHN C[C@H]1C[C@@H]([NH2+]CC(=O)NCCc2ccccc2)c2c1c(F)ccc2[O-] ZINC000756818554 1300570792 /nfs/dbraw/zinc/57/07/92/1300570792.db2.gz PPCHBXVRNWSEQI-XJKSGUPXSA-N 0 3 342.414 3.028 20 10 EGCDHN C[C@@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1=O)c1ccccc1[O-] ZINC000879648613 1300648047 /nfs/dbraw/zinc/64/80/47/1300648047.db2.gz WHNYGUGMQAOBED-ABAIWWIYSA-N 0 3 332.350 3.127 20 10 EGCDHN C[C@@H]([NH2+]CCC(=O)NCc1ccccc1Cl)c1ccccc1[O-] ZINC000879648715 1300648970 /nfs/dbraw/zinc/64/89/70/1300648970.db2.gz AIPNFXGZCLOQLG-CYBMUJFWSA-N 0 3 332.831 3.403 20 10 EGCDHN C[C@H](N[C@@H](CO)CC(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC000760041265 1301212586 /nfs/dbraw/zinc/21/25/86/1301212586.db2.gz XRGAMWSGMLXWCI-GXTWGEPZSA-N 0 3 330.394 3.483 20 10 EGCDHN COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000761202481 1301419815 /nfs/dbraw/zinc/41/98/15/1301419815.db2.gz ZHRACDQTIRCONM-SUMWQHHRSA-N 0 3 341.835 3.266 20 10 EGCDHN COc1ccc(O)c(CN[C@@H](Cc2nc(C)no2)c2ccccc2)c1 ZINC000763546574 1301922764 /nfs/dbraw/zinc/92/27/64/1301922764.db2.gz JHZQGYTXMRKJKA-KRWDZBQOSA-N 0 3 339.395 3.166 20 10 EGCDHN CO[C@H](CN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl)C(C)C ZINC000766365449 1302439343 /nfs/dbraw/zinc/43/93/43/1302439343.db2.gz FWSLVBKZXDWDMX-KBXCAEBGSA-N 0 3 340.895 3.498 20 10 EGCDHN C[C@@H](N[C@@H]1CCCN(C)C1=O)c1ccc(N2CCCCCC2)cc1 ZINC000766435854 1302452325 /nfs/dbraw/zinc/45/23/25/1302452325.db2.gz AQTRTDRWEYRMJM-VQIMIIECSA-N 0 3 329.488 3.338 20 10 EGCDHN COc1cc(C)cc(CN2CCC([C@@](C)(O)C(F)(F)F)CC2)c1O ZINC000767511416 1302698168 /nfs/dbraw/zinc/69/81/68/1302698168.db2.gz FBKJLHDHYPYKCM-MRXNPFEDSA-N 0 3 347.377 3.235 20 10 EGCDHN COc1ccc(C)cc1CN1CCN(Cc2cc(C)ccc2O)CC1 ZINC000768201573 1302854441 /nfs/dbraw/zinc/85/44/41/1302854441.db2.gz UYHYELLIHVALGW-UHFFFAOYSA-N 0 3 340.467 3.335 20 10 EGCDHN CCOc1ccc(CN2CCN(CCc3cccs3)CC2)c(O)c1 ZINC000768358402 1302887161 /nfs/dbraw/zinc/88/71/61/1302887161.db2.gz UFQKHKVOJLCZLV-UHFFFAOYSA-N 0 3 346.496 3.213 20 10 EGCDHN Cc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768444306 1302905760 /nfs/dbraw/zinc/90/57/60/1302905760.db2.gz XGXHZWMBWKBDHU-HKUYNNGSSA-N 0 3 325.408 3.464 20 10 EGCDHN Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768444306 1302905764 /nfs/dbraw/zinc/90/57/64/1302905764.db2.gz XGXHZWMBWKBDHU-HKUYNNGSSA-N 0 3 325.408 3.464 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCS[C@@H](c3ccccc3)C1)[C@H](O)CO2 ZINC000768446333 1302906664 /nfs/dbraw/zinc/90/66/64/1302906664.db2.gz MWAMFXLVMUMSLO-IEBWSBKVSA-N 0 3 343.448 3.108 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CCS[C@@H](c3ccccc3)C1)[C@H](O)CO2 ZINC000768446333 1302906669 /nfs/dbraw/zinc/90/66/69/1302906669.db2.gz MWAMFXLVMUMSLO-IEBWSBKVSA-N 0 3 343.448 3.108 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+](CCc1cccc(F)c1)C1CC1)[C@H](O)CO2 ZINC000768447282 1302907161 /nfs/dbraw/zinc/90/71/61/1302907161.db2.gz NYUWQJDMFIMTGZ-LJQANCHMSA-N 0 3 343.398 3.164 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+](CCc1cccc(F)c1)C1CC1)[C@H](O)CO2 ZINC000768447282 1302907171 /nfs/dbraw/zinc/90/71/71/1302907171.db2.gz NYUWQJDMFIMTGZ-LJQANCHMSA-N 0 3 343.398 3.164 20 10 EGCDHN C[C@@H](N[C@@H](C)C(=O)NCc1ccccc1F)c1ccc(N(C)C)cc1 ZINC000774480363 1303814729 /nfs/dbraw/zinc/81/47/29/1303814729.db2.gz AYFNURITUAVRTB-CABCVRRESA-N 0 3 343.446 3.247 20 10 EGCDHN C[C@H](N[C@H](Cc1ccc(Cl)cc1)C(N)=O)c1ccc(N(C)C)cc1 ZINC000774482736 1303814794 /nfs/dbraw/zinc/81/47/94/1303814794.db2.gz MJWOABZZPWLFST-SCLBCKFNSA-N 0 3 345.874 3.153 20 10 EGCDHN CC(C)n1nccc1NC(=O)[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774486135 1303816307 /nfs/dbraw/zinc/81/63/07/1303816307.db2.gz WAUODIRBGJHGNA-LSDHHAIUSA-N 0 3 343.475 3.208 20 10 EGCDHN CC(C)[N@H+](CCC[N-]C(=O)C(F)(F)F)Cc1ccc(N(C)C)cc1 ZINC000774557990 1303827940 /nfs/dbraw/zinc/82/79/40/1303827940.db2.gz HKMGBDDWWUPFDG-UHFFFAOYSA-N 0 3 345.409 3.032 20 10 EGCDHN CC(C)[N@@H+](CCC[N-]C(=O)C(F)(F)F)Cc1ccc(N(C)C)cc1 ZINC000774557990 1303827943 /nfs/dbraw/zinc/82/79/43/1303827943.db2.gz HKMGBDDWWUPFDG-UHFFFAOYSA-N 0 3 345.409 3.032 20 10 EGCDHN COc1cccc(C2([NH2+]Cc3cc(F)ccc3[O-])CCOCC2)c1F ZINC000775204630 1303924602 /nfs/dbraw/zinc/92/46/02/1303924602.db2.gz AWEUMUXOIFPGOC-UHFFFAOYSA-N 0 3 349.377 3.475 20 10 EGCDHN C[C@@H](NCC(=O)N(C1CC1)C1CCCC1)c1ccc(N(C)C)cc1 ZINC000775833444 1304046467 /nfs/dbraw/zinc/04/64/67/1304046467.db2.gz IZRNULFPVCRVTG-OAHLLOKOSA-N 0 3 329.488 3.337 20 10 EGCDHN COc1cccc(NC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775833437 1304046649 /nfs/dbraw/zinc/04/66/49/1304046649.db2.gz IXWBMTXPJZXXKV-AWEZNQCLSA-N 0 3 327.428 3.051 20 10 EGCDHN C[C@H](NCC(=O)NCc1cccc(Cl)c1)c1ccc(N(C)C)cc1 ZINC000775837397 1304047861 /nfs/dbraw/zinc/04/78/61/1304047861.db2.gz SCPFNRFRABFMCU-AWEZNQCLSA-N 0 3 345.874 3.373 20 10 EGCDHN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])[C@H]1OC ZINC000775978933 1304073561 /nfs/dbraw/zinc/07/35/61/1304073561.db2.gz PINRNNSBCVKNJI-DFQSSKMNSA-N 0 3 327.424 3.341 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCN2CC[C@@H](C)C2)c1[O-] ZINC000779027729 1304520534 /nfs/dbraw/zinc/52/05/34/1304520534.db2.gz UBYJLMMMHCBOPA-YPMHNXCESA-N 0 3 341.293 3.456 20 10 EGCDHN CCOc1ccc(C[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)c([O-])c1 ZINC000780580917 1304711865 /nfs/dbraw/zinc/71/18/65/1304711865.db2.gz RAKAHPXZLREBRY-BBRMVZONSA-N 0 3 347.377 3.364 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)c1[O-] ZINC000780891995 1304748557 /nfs/dbraw/zinc/74/85/57/1304748557.db2.gz FZZWCBQKKDTMIT-NEPJUHHUSA-N 0 3 328.250 3.056 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@H]([C@@H](C)O)C2)c1[O-] ZINC000780891995 1304748554 /nfs/dbraw/zinc/74/85/54/1304748554.db2.gz FZZWCBQKKDTMIT-NEPJUHHUSA-N 0 3 328.250 3.056 20 10 EGCDHN CS[C@@H](C)CCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248305 1304999057 /nfs/dbraw/zinc/99/90/57/1304999057.db2.gz KHZMNNNUYNKOQU-YOEHRIQHSA-N 0 3 337.533 3.003 20 10 EGCDHN COc1ccc(O)c(CN2CCC(Oc3cc(C)ccn3)CC2)c1 ZINC000783593939 1305113425 /nfs/dbraw/zinc/11/34/25/1305113425.db2.gz OJCAPFNADGMCSA-UHFFFAOYSA-N 0 3 328.412 3.148 20 10 EGCDHN COc1cc(N2CCN(CCCC(C)C)CC2)cc(OC)c1OC ZINC000783673638 1305126247 /nfs/dbraw/zinc/12/62/47/1305126247.db2.gz RFHAXVOISLDYDP-UHFFFAOYSA-N 0 3 336.476 3.271 20 10 EGCDHN C[C@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC(C)(C)C1 ZINC000784352807 1305233258 /nfs/dbraw/zinc/23/32/58/1305233258.db2.gz QBCHTVRWGXUSIQ-MRXNPFEDSA-N 0 3 331.504 3.079 20 10 EGCDHN Cc1cc(N)nc(NC2CCN(c3ccc(OC(F)F)cc3)CC2)n1 ZINC000892269435 1305300288 /nfs/dbraw/zinc/30/02/88/1305300288.db2.gz OXPQLEGTSPJWMR-UHFFFAOYSA-N 0 3 349.385 3.050 20 10 EGCDHN COc1cccc([O-])c1C[NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000785613315 1305393288 /nfs/dbraw/zinc/39/32/88/1305393288.db2.gz DWRFEDCFPSZHBP-OAHLLOKOSA-N 0 3 325.767 3.017 20 10 EGCDHN Cc1ccc(O)c([C@@H](C)NCc2ccc(S(C)(=O)=O)s2)c1 ZINC000786962218 1305667411 /nfs/dbraw/zinc/66/74/11/1305667411.db2.gz OUSZBPWNHQRSRS-LLVKDONJSA-N 0 3 325.455 3.016 20 10 EGCDHN COc1cc(OC)c(OC)cc1CNCc1cc(C)cc(OC)c1O ZINC000894141353 1306242884 /nfs/dbraw/zinc/24/28/84/1306242884.db2.gz DXASHJDZFRVRQS-UHFFFAOYSA-N 0 3 347.411 3.025 20 10 EGCDHN CC(C)N1CCC[C@H](N(Cc2ccc(N(C)C)cc2)C2CC2)C1=O ZINC000790265913 1306286270 /nfs/dbraw/zinc/28/62/70/1306286270.db2.gz KLHRFBJEUKRSBL-IBGZPJMESA-N 0 3 329.488 3.116 20 10 EGCDHN COc1ccc(CN2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c(O)c1OC ZINC000894296868 1306328183 /nfs/dbraw/zinc/32/81/83/1306328183.db2.gz WJPNOKAKBZVDFN-DOMZBBRYSA-N 0 3 346.254 3.425 20 10 EGCDHN COc1cccc([O-])c1C[NH2+]C[C@@](C)(Cc1ccccc1)[C@@H](C)O ZINC000791003306 1308908124 /nfs/dbraw/zinc/90/81/24/1308908124.db2.gz MOZHJVWXAVGHKH-FOIQADDNSA-N 0 3 329.440 3.120 20 10 EGCDHN COc1ccc(C[NH2+]Cc2cn(C)nc2C2CCCCC2)c([O-])c1 ZINC000793388703 1309361341 /nfs/dbraw/zinc/36/13/41/1309361341.db2.gz RXAWMJFLIYFDDY-UHFFFAOYSA-N 0 3 329.444 3.472 20 10 EGCDHN CC[C@H]([NH2+][C@@H]1CCCN(C(=O)N2CCCC2)C1)c1ccc(C)cc1[O-] ZINC000797041258 1310131718 /nfs/dbraw/zinc/13/17/18/1310131718.db2.gz YLGAWFKNMDWABS-AEFFLSMTSA-N 0 3 345.487 3.422 20 10 EGCDHN CN(C)c1ccc([C@H](CNCc2nc3ccccc3o2)N(C)C)cc1 ZINC000898449500 1310741064 /nfs/dbraw/zinc/74/10/64/1310741064.db2.gz GTHLTALSQNJUNE-SFHVURJKSA-N 0 3 338.455 3.286 20 10 EGCDHN COc1ccc([C@H](NC(C)C)C(=O)NCc2cc(C)ccc2O)cc1 ZINC000899133412 1310946707 /nfs/dbraw/zinc/94/67/07/1310946707.db2.gz LMZSYWWRGIXPQK-IBGZPJMESA-N 0 3 342.439 3.065 20 10 EGCDHN CC[C@@H]([NH2+]C[C@@H](C)N1CCN(CC)CC1)c1cccc(Cl)c1[O-] ZINC000806132468 1317463592 /nfs/dbraw/zinc/46/35/92/1317463592.db2.gz WQSYGYQQWRQVHV-RHSMWYFYSA-N 0 3 339.911 3.112 20 10 EGCDHN CC[C@H](N[C@@H](CCSC)C(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000806662094 1317517572 /nfs/dbraw/zinc/51/75/72/1317517572.db2.gz JDFRKUYOOBAFKM-IRXDYDNUSA-N 0 3 337.533 3.003 20 10 EGCDHN COc1cc(Br)cc(C[NH2+]CCSC(C)C)c1[O-] ZINC000808420101 1317673568 /nfs/dbraw/zinc/67/35/68/1317673568.db2.gz VBHOILQHELETPF-UHFFFAOYSA-N 0 3 334.279 3.395 20 10 EGCDHN C[N@@H+](Cc1ccc(OCc2ccccc2)cc1[O-])C[C@@H](O)C1CC1 ZINC000809752194 1317890151 /nfs/dbraw/zinc/89/01/51/1317890151.db2.gz PDORUVSXMSIXCU-HXUWFJFHSA-N 0 3 327.424 3.174 20 10 EGCDHN C[N@H+](Cc1ccc(OCc2ccccc2)cc1[O-])C[C@@H](O)C1CC1 ZINC000809752194 1317890154 /nfs/dbraw/zinc/89/01/54/1317890154.db2.gz PDORUVSXMSIXCU-HXUWFJFHSA-N 0 3 327.424 3.174 20 10 EGCDHN Cc1cccnc1OC1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000809993759 1317931980 /nfs/dbraw/zinc/93/19/80/1317931980.db2.gz QXYQRGCNUYKNEO-UHFFFAOYSA-N 0 3 325.456 3.499 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc(CC(N)=O)cc2)c1[O-] ZINC000810241765 1317984432 /nfs/dbraw/zinc/98/44/32/1317984432.db2.gz DNAYLAWRYOSVDI-LBPRGKRZSA-N 0 3 332.831 3.233 20 10 EGCDHN CC[C@@H]([NH2+][C@H]1CC(=O)N(c2ccccc2F)C1)c1ccccc1[O-] ZINC000812739980 1318446660 /nfs/dbraw/zinc/44/66/60/1318446660.db2.gz JTPPAAJMXNBDTG-XJKSGUPXSA-N 0 3 328.387 3.378 20 10 EGCDHN CCc1nn(C)c(OC)c1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816560649 1319183377 /nfs/dbraw/zinc/18/33/77/1319183377.db2.gz WDCHWMZFBZBUIA-UHFFFAOYSA-N 0 3 325.412 3.140 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC(OC(=O)N(C)C)CC2)cc1 ZINC000816654835 1319202237 /nfs/dbraw/zinc/20/22/37/1319202237.db2.gz BETGTHZVJJAZFF-UHFFFAOYSA-N 0 3 333.476 3.195 20 10 EGCDHN CN(C)c1ccc(CN2CCC[C@H](CO)CC2)c(C(F)(F)F)c1 ZINC000816666238 1319205332 /nfs/dbraw/zinc/20/53/32/1319205332.db2.gz ISFHWHXYMIUXLV-ZDUSSCGKSA-N 0 3 330.394 3.366 20 10 EGCDHN Cc1c([C@H](C)NCCc2ccc(N)cc2)nnn1-c1ccc(F)cc1 ZINC000817955914 1319476756 /nfs/dbraw/zinc/47/67/56/1319476756.db2.gz LDQDXMJDRVZPDO-ZDUSSCGKSA-N 0 3 339.418 3.190 20 10 EGCDHN COc1ccc(N2CC[C@@H](C[NH2+]Cc3cc(F)ccc3[O-])C2)cc1 ZINC000822494566 1320088529 /nfs/dbraw/zinc/08/85/29/1320088529.db2.gz RCMCSOCCJRBPIZ-AWEZNQCLSA-N 0 3 330.403 3.156 20 10 EGCDHN COc1ccc(-n2cc(CNCc3ccc(N(C)C)cc3)cn2)cc1 ZINC000823608997 1320192045 /nfs/dbraw/zinc/19/20/45/1320192045.db2.gz NDBVHAADSZFYLX-UHFFFAOYSA-N 0 3 336.439 3.237 20 10 EGCDHN COc1cccc([O-])c1C[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000824790372 1320285776 /nfs/dbraw/zinc/28/57/76/1320285776.db2.gz SWOWBXOGJVBXDS-UHFFFAOYSA-N 0 3 325.767 3.362 20 10 EGCDHN COc1ccc(CN[C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)cc1C ZINC000825118908 1320312948 /nfs/dbraw/zinc/31/29/48/1320312948.db2.gz YUZAUVWDWRBRSR-NEWSRXKRSA-N 0 3 343.471 3.487 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+]CCC[C@H]2CCOC2)c1[O-] ZINC000825144961 1320314583 /nfs/dbraw/zinc/31/45/83/1320314583.db2.gz SZRHVYDEZMAPBL-LBPRGKRZSA-N 0 3 328.250 3.369 20 10 EGCDHN CC[C@@H](NCc1ccc(N(CC)Cc2ccccc2)cc1)C(=O)NC ZINC000825315906 1320326912 /nfs/dbraw/zinc/32/69/12/1320326912.db2.gz HHBDIGHDTYFQLZ-HXUWFJFHSA-N 0 3 339.483 3.327 20 10 EGCDHN C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccc(Br)cc2[O-])C1 ZINC000825935601 1320373263 /nfs/dbraw/zinc/37/32/63/1320373263.db2.gz YLLGZRMJPNCKGK-WFASDCNBSA-N 0 3 339.277 3.071 20 10 EGCDHN C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccc(Br)cc2[O-])C1 ZINC000825935601 1320373267 /nfs/dbraw/zinc/37/32/67/1320373267.db2.gz YLLGZRMJPNCKGK-WFASDCNBSA-N 0 3 339.277 3.071 20 10 EGCDHN COc1cc(O)c(CN2CC(Cc3ccc(F)c(F)c3)C2)cc1OC ZINC000839145408 1320879693 /nfs/dbraw/zinc/87/96/93/1320879693.db2.gz SOJMMVSANNDHJF-UHFFFAOYSA-N 0 3 349.377 3.362 20 10 EGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@]4(C3)CCCN(C)C4)c2c1 ZINC000840085197 1321024989 /nfs/dbraw/zinc/02/49/89/1321024989.db2.gz BPBWGNUCTYQUBY-NRFANRHFSA-N 0 3 340.467 3.472 20 10 EGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@]4(C3)CCCN(C)C4)c2c1 ZINC000840085197 1321024991 /nfs/dbraw/zinc/02/49/91/1321024991.db2.gz BPBWGNUCTYQUBY-NRFANRHFSA-N 0 3 340.467 3.472 20 10 EGCDHN C[C@H](Cc1cccc(F)c1)[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000840166328 1321042400 /nfs/dbraw/zinc/04/24/00/1321042400.db2.gz IGGXEEZMPSIZEV-KZULUSFZSA-N 0 3 331.387 3.020 20 10 EGCDHN C[C@H](Cc1cccc(F)c1)[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000840166328 1321042402 /nfs/dbraw/zinc/04/24/02/1321042402.db2.gz IGGXEEZMPSIZEV-KZULUSFZSA-N 0 3 331.387 3.020 20 10 EGCDHN O=C1NCCC[C@@H]1C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000840825742 1321157450 /nfs/dbraw/zinc/15/74/50/1321157450.db2.gz KFTUMUDQDLVASB-IEBWSBKVSA-N 0 3 338.451 3.182 20 10 EGCDHN Cc1cc(N(C)C)ccc1CN[C@@H]1CCN(C2CCCCC2)C1=O ZINC000840936274 1321180923 /nfs/dbraw/zinc/18/09/23/1321180923.db2.gz HYUVJSMZQRAJAB-LJQANCHMSA-N 0 3 329.488 3.084 20 10 EGCDHN Cc1cc(N(C)C)ccc1C[C@H](C)NCc1ncc(CN(C)C)s1 ZINC000840975895 1321192099 /nfs/dbraw/zinc/19/20/99/1321192099.db2.gz MCTIVDHSKNQNAS-HNNXBMFYSA-N 0 3 346.544 3.300 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2NCCc3ccccc32)c1[O-] ZINC000841069049 1321212935 /nfs/dbraw/zinc/21/29/35/1321212935.db2.gz LTZWDGMVOQFXRW-MRXNPFEDSA-N 0 3 332.831 3.031 20 10 EGCDHN CCS(=O)(=O)c1ccc(CN[C@H](C)c2cccc(OC)c2O)cc1 ZINC000846161106 1321773402 /nfs/dbraw/zinc/77/34/02/1321773402.db2.gz ZQSHFKXFBHVUDO-CYBMUJFWSA-N 0 3 349.452 3.045 20 10 EGCDHN CCc1cccc(CNc2cccc(CN3CCN(C)CC3)c2)c1O ZINC000848892251 1322031848 /nfs/dbraw/zinc/03/18/48/1322031848.db2.gz PQLKJKHLHAVRHO-UHFFFAOYSA-N 0 3 339.483 3.314 20 10 EGCDHN CCOc1ccc(NC(=O)CNCc2cccc(CC)c2O)cc1 ZINC000848901324 1322038290 /nfs/dbraw/zinc/03/82/90/1322038290.db2.gz XKMOEHWHHKJIAB-UHFFFAOYSA-N 0 3 328.412 3.082 20 10 EGCDHN CCc1cccc(CN2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]32)c1O ZINC000848917994 1322046171 /nfs/dbraw/zinc/04/61/71/1322046171.db2.gz MFCVUFDSOGTIFE-RDJZCZTQSA-N 0 3 346.471 3.396 20 10 EGCDHN COCC1([NH2+]Cc2cc(Br)cc(OC)c2[O-])CCCC1 ZINC000850344940 1322230905 /nfs/dbraw/zinc/23/09/05/1322230905.db2.gz CHKFJGASJGNQOI-UHFFFAOYSA-N 0 3 344.249 3.212 20 10 EGCDHN C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1cncc(F)c1 ZINC000850406319 1322240624 /nfs/dbraw/zinc/24/06/24/1322240624.db2.gz BHIAIMJTOHUGEU-AWEZNQCLSA-N 0 3 329.419 3.033 20 10 EGCDHN COc1cc(F)cc(CNCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000850406347 1322240965 /nfs/dbraw/zinc/24/09/65/1322240965.db2.gz CNWJNBPTAXZIET-UHFFFAOYSA-N 0 3 344.430 3.085 20 10 EGCDHN C[C@@H]([NH2+]C[C@H](O)c1cc(F)c(F)c(F)c1)c1cc(F)ccc1[O-] ZINC000850580555 1322272722 /nfs/dbraw/zinc/27/27/22/1322272722.db2.gz OKVOGIDFUXVCCN-GLEZIHRCSA-N 0 3 329.293 3.333 20 10 EGCDHN Fc1ccc(-c2n[nH]c(CNCc3ccc4c(c3)CCCO4)n2)cc1 ZINC000921823922 1322405573 /nfs/dbraw/zinc/40/55/73/1322405573.db2.gz CIZYCALQMUKRIP-UHFFFAOYSA-N 0 3 338.386 3.226 20 10 EGCDHN Fc1ccc(-c2nnc(C[NH2+]Cc3ccc4c(c3)CCCO4)[n-]2)cc1 ZINC000921823922 1322405578 /nfs/dbraw/zinc/40/55/78/1322405578.db2.gz CIZYCALQMUKRIP-UHFFFAOYSA-N 0 3 338.386 3.226 20 10 EGCDHN CCN(CC)c1ccc(CNCc2cc(N(C)C)ccn2)cc1F ZINC000922478368 1322537366 /nfs/dbraw/zinc/53/73/66/1322537366.db2.gz MVAGKLWEMQXUKI-UHFFFAOYSA-N 0 3 330.451 3.423 20 10 EGCDHN COc1cccc(CN[C@H](CO)c2ccccc2C(F)(F)F)c1O ZINC000922984463 1322668719 /nfs/dbraw/zinc/66/87/19/1322668719.db2.gz JPNJLPYCWRSSJS-CQSZACIVSA-N 0 3 341.329 3.243 20 10 EGCDHN CCc1cccc(CN2Cc3ccccc3[C@H](C(=O)OC)C2)c1O ZINC000862538406 1329493816 /nfs/dbraw/zinc/49/38/16/1329493816.db2.gz ROJWYKSRRVBCJP-GOSISDBHSA-N 0 3 325.408 3.227 20 10 EGCDHN C[C@@H](C[NH2+][C@H]1CCc2cccc([O-])c21)c1ccc(S(C)(=O)=O)cc1 ZINC000866535460 1330123330 /nfs/dbraw/zinc/12/33/30/1330123330.db2.gz DPDLFAHZOFDVSJ-GUYCJALGSA-N 0 3 345.464 3.176 20 10 EGCDHN CC[N@@H+](CCCN(C)C)Cc1cc(Br)c(F)cc1[O-] ZINC001144307861 1378715483 /nfs/dbraw/zinc/71/54/83/1378715483.db2.gz JJDSMQMTMDLZMD-UHFFFAOYSA-N 0 3 333.245 3.067 20 10 EGCDHN CCN(CCC[NH+](C)C)Cc1cc(Br)c(F)cc1[O-] ZINC001144307861 1378715485 /nfs/dbraw/zinc/71/54/85/1378715485.db2.gz JJDSMQMTMDLZMD-UHFFFAOYSA-N 0 3 333.245 3.067 20 10 EGCDHN CC(C)CNC(=O)CNCc1ccc(N(C)Cc2cccs2)cc1 ZINC001325117176 1387900820 /nfs/dbraw/zinc/90/08/20/1387900820.db2.gz IJSBTISCUYBNAG-UHFFFAOYSA-N 0 3 345.512 3.246 20 10 EGCDHN CCC1(CN2CCN(c3ccc(OC(F)(F)F)cc3)CC2)COC1 ZINC001202968675 1369940886 /nfs/dbraw/zinc/94/08/86/1369940886.db2.gz JBKZXFDUIIXALJ-UHFFFAOYSA-N 0 3 344.377 3.134 20 10 EGCDHN CCOc1cccc(C[N@H+](C)CCCC(=O)c2cccnc2)c1[O-] ZINC001203608971 1370186512 /nfs/dbraw/zinc/18/65/12/1370186512.db2.gz DAMRZVDPNFFSLP-UHFFFAOYSA-N 0 3 328.412 3.281 20 10 EGCDHN CCOc1cccc(C[N@@H+](C)CCCC(=O)c2cccnc2)c1[O-] ZINC001203608971 1370186517 /nfs/dbraw/zinc/18/65/17/1370186517.db2.gz DAMRZVDPNFFSLP-UHFFFAOYSA-N 0 3 328.412 3.281 20 10 EGCDHN COc1ccc(C[NH+]2CCC(Oc3cccc(Cl)n3)CC2)c([O-])c1 ZINC001203628588 1370193158 /nfs/dbraw/zinc/19/31/58/1370193158.db2.gz DGEFIHQODWGWLR-UHFFFAOYSA-N 0 3 348.830 3.493 20 10 EGCDHN COc1ccc(O)c(CN2CC[C@@H](Oc3cc(F)ccc3F)C2)c1 ZINC001203675105 1370212710 /nfs/dbraw/zinc/21/27/10/1370212710.db2.gz MXEJKAKCKSXQNA-OAHLLOKOSA-N 0 3 335.350 3.332 20 10 EGCDHN Oc1ccc(CN2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)cc1O ZINC001203877206 1370297679 /nfs/dbraw/zinc/29/76/79/1370297679.db2.gz OOIYELWUBMPUEP-UZLBHIALSA-N 0 3 340.423 3.174 20 10 EGCDHN CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(O)cc1[O-] ZINC001204278902 1370430425 /nfs/dbraw/zinc/43/04/25/1370430425.db2.gz MMNOUKDMPSLXBN-QDMKHBRRSA-N 0 3 348.443 3.118 20 10 EGCDHN CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(O)cc1[O-] ZINC001204278902 1370430428 /nfs/dbraw/zinc/43/04/28/1370430428.db2.gz MMNOUKDMPSLXBN-QDMKHBRRSA-N 0 3 348.443 3.118 20 10 EGCDHN C[C@H]1C[C@H]([NH2+]CCC(=O)N2CCC[C@@H](C)C2)c2c1c(F)ccc2[O-] ZINC001116589330 1370941926 /nfs/dbraw/zinc/94/19/26/1370941926.db2.gz UHBZUQWJZMIPDK-IPYPFGDCSA-N 0 3 334.435 3.318 20 10 EGCDHN CC(C)(C)OC(=O)NCCCCC[N@@H+]1CCc2cccc([O-])c2C1 ZINC001209376177 1372082474 /nfs/dbraw/zinc/08/24/74/1372082474.db2.gz RHSGLZXHLWNEQH-UHFFFAOYSA-N 0 3 334.460 3.445 20 10 EGCDHN CC(C)(C)OC(=O)NCCCCC[N@H+]1CCc2cccc([O-])c2C1 ZINC001209376177 1372082478 /nfs/dbraw/zinc/08/24/78/1372082478.db2.gz RHSGLZXHLWNEQH-UHFFFAOYSA-N 0 3 334.460 3.445 20 10 EGCDHN COc1cccc(CN2CCN(Cc3cccc(C)c3O)CC2)c1 ZINC001231593858 1376274260 /nfs/dbraw/zinc/27/42/60/1376274260.db2.gz MAVQUYHFJAPTGU-UHFFFAOYSA-N 0 3 326.440 3.027 20 10 EGCDHN COc1cc(CN2CCC(Oc3ccc(C)cc3)CC2)c(O)cc1O ZINC001231636458 1376288281 /nfs/dbraw/zinc/28/82/81/1376288281.db2.gz OSRBMZLGLGYIHV-UHFFFAOYSA-N 0 3 343.423 3.458 20 10 EGCDHN Cc1cc([O-])c(CN2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)cc1Cl ZINC001231870844 1376333118 /nfs/dbraw/zinc/33/31/18/1376333118.db2.gz BHYAHQMFDXVCJB-JKSUJKDBSA-N 0 3 326.843 3.362 20 10 EGCDHN Cc1cccc(OC2CCN(Cc3cc(O)c(O)cc3O)CC2)c1 ZINC001233486747 1376653508 /nfs/dbraw/zinc/65/35/08/1376653508.db2.gz ZYJMSXQADYWQJG-UHFFFAOYSA-N 0 3 329.396 3.155 20 10 EGCDHN [O-]c1c(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)cccc1OC(F)(F)F ZINC001233728220 1376703214 /nfs/dbraw/zinc/70/32/14/1376703214.db2.gz UKWMURMULVKZCN-YPMHNXCESA-N 0 3 331.334 3.292 20 10 EGCDHN [O-]c1c(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)cccc1OC(F)(F)F ZINC001233728220 1376703216 /nfs/dbraw/zinc/70/32/16/1376703216.db2.gz UKWMURMULVKZCN-YPMHNXCESA-N 0 3 331.334 3.292 20 10 EGCDHN CC(C)c1ccc(C[N@@H+]2CCC[C@@H](Oc3ncccn3)C2)c([O-])c1 ZINC001237052284 1376971432 /nfs/dbraw/zinc/97/14/32/1376971432.db2.gz VTCZEOMWDYONDF-QGZVFWFLSA-N 0 3 327.428 3.349 20 10 EGCDHN CC(C)c1ccc(C[N@H+]2CCC[C@@H](Oc3ncccn3)C2)c([O-])c1 ZINC001237052284 1376971434 /nfs/dbraw/zinc/97/14/34/1376971434.db2.gz VTCZEOMWDYONDF-QGZVFWFLSA-N 0 3 327.428 3.349 20 10 EGCDHN CC(=O)[C@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237058749 1376974760 /nfs/dbraw/zinc/97/47/60/1376974760.db2.gz JTTQEDHECHOLQH-LBPRGKRZSA-N 0 3 331.334 3.134 20 10 EGCDHN CC(=O)[C@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237058749 1376974766 /nfs/dbraw/zinc/97/47/66/1376974766.db2.gz JTTQEDHECHOLQH-LBPRGKRZSA-N 0 3 331.334 3.134 20 10 EGCDHN COC(=O)Cc1ccc(C[N@@H+]2CCCC3(CC(F)C3)CC2)c([O-])c1 ZINC001249208643 1377073145 /nfs/dbraw/zinc/07/31/45/1377073145.db2.gz ZNWMOVXRIWSJSP-UHFFFAOYSA-N 0 3 335.419 3.212 20 10 EGCDHN COC(=O)Cc1ccc(C[N@H+]2CCCC3(CC(F)C3)CC2)c([O-])c1 ZINC001249208643 1377073147 /nfs/dbraw/zinc/07/31/47/1377073147.db2.gz ZNWMOVXRIWSJSP-UHFFFAOYSA-N 0 3 335.419 3.212 20 10 EGCDHN Cc1nnc(C2CCN(Cc3ccc4c(c3)CCCN4C)CC2)o1 ZINC001138356446 1377708383 /nfs/dbraw/zinc/70/83/83/1377708383.db2.gz OKTPFXWVDISLRK-UHFFFAOYSA-N 0 3 326.444 3.140 20 10 EGCDHN CCN1CCN(c2ccc(CN3CC[C@](C)(F)[C@H](F)C3)cc2)CC1 ZINC001140302655 1378042820 /nfs/dbraw/zinc/04/28/20/1378042820.db2.gz WZBKEOUNNKQABZ-MOPGFXCFSA-N 0 3 337.458 3.101 20 10 EGCDHN Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c([O-])c1 ZINC001140947929 1378188158 /nfs/dbraw/zinc/18/81/58/1378188158.db2.gz LWAUGVUCYZDGTQ-NVXWUHKLSA-N 0 3 346.471 3.389 20 10 EGCDHN Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c([O-])c1 ZINC001140947929 1378188159 /nfs/dbraw/zinc/18/81/59/1378188159.db2.gz LWAUGVUCYZDGTQ-NVXWUHKLSA-N 0 3 346.471 3.389 20 10 EGCDHN Cc1ccc(C[NH+]2CCC3(CCC(=O)N3CC3CC3)CC2)c([O-])c1 ZINC001140952153 1378190197 /nfs/dbraw/zinc/19/01/97/1378190197.db2.gz HDEMGJIWPXAQOQ-UHFFFAOYSA-N 0 3 328.456 3.068 20 10 EGCDHN OCc1ccc2c(c1)CCN(Cc1cc3c4c(c1)CCCN4CCC3)C2 ZINC001141074566 1378232904 /nfs/dbraw/zinc/23/29/04/1378232904.db2.gz MIAPZZBJQCFOIJ-UHFFFAOYSA-N 0 3 348.490 3.436 20 10 EGCDHN Oc1ccc(O)c(CN2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)c1 ZINC001141160997 1378254155 /nfs/dbraw/zinc/25/41/55/1378254155.db2.gz MMDATWHTIHCWJL-BETUJISGSA-N 0 3 333.391 3.128 20 10 EGCDHN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCN2CCc3ccccc3[C@@H]2C1 ZINC001142527354 1378453200 /nfs/dbraw/zinc/45/32/00/1378453200.db2.gz SBRNNAIWBUYEJM-SFHVURJKSA-N 0 3 330.378 3.085 20 10 EGCDHN [O-]c1cc(F)c(F)cc1C[N@H+]1CCN2CCc3ccccc3[C@@H]2C1 ZINC001142527354 1378453204 /nfs/dbraw/zinc/45/32/04/1378453204.db2.gz SBRNNAIWBUYEJM-SFHVURJKSA-N 0 3 330.378 3.085 20 10 EGCDHN COc1ccc(N2CCN(Cc3ccnc4[nH]ccc43)CC2)c(C)c1 ZINC001142883537 1378503963 /nfs/dbraw/zinc/50/39/63/1378503963.db2.gz HQQHLOKINVETOW-UHFFFAOYSA-N 0 3 336.439 3.202 20 10 EGCDHN CC[N@H+](CCCN(C)C)Cc1cc(Br)c(F)cc1[O-] ZINC001144307861 1378715481 /nfs/dbraw/zinc/71/54/81/1378715481.db2.gz JJDSMQMTMDLZMD-UHFFFAOYSA-N 0 3 333.245 3.067 20 10 EGCDHN CN1CCCC[C@@H]1c1ccc(NCCc2cc(O)c(O)cc2O)nc1 ZINC001168009705 1383796327 /nfs/dbraw/zinc/79/63/27/1383796327.db2.gz OFHODDWKQZYSSC-OAHLLOKOSA-N 0 3 343.427 3.010 20 10 EGCDHN CCOc1ccc(N2CCN([C@H]3CCc4ncsc4C3)CC2)cc1 ZINC001173147883 1384924414 /nfs/dbraw/zinc/92/44/14/1384924414.db2.gz ZXGHURKCFRXVFB-INIZCTEOSA-N 0 3 343.496 3.221 20 10 EGCDHN CN1CCN(c2ccc(CN3CCc4cccc(F)c4C3)cc2)CC1 ZINC001319814929 1386311796 /nfs/dbraw/zinc/31/17/96/1386311796.db2.gz ZFOHXXANFFKCEA-UHFFFAOYSA-N 0 3 339.458 3.136 20 10 EGCDHN CCCN1CCCC[C@@H]1C(=O)NCCCSc1nccs1 ZINC001322870074 1387250010 /nfs/dbraw/zinc/25/00/10/1387250010.db2.gz WTQMYYPQKQAWSY-CYBMUJFWSA-N 0 3 327.519 3.006 20 10 EGCDHN Cc1ccc(C[NH+]2CCC(O)(Cc3ccccc3F)CC2)c([O-])c1 ZINC001330638747 1389479845 /nfs/dbraw/zinc/47/98/45/1389479845.db2.gz JPJVRVQCRMIVNU-UHFFFAOYSA-N 0 3 329.415 3.409 20 10 EGCDHN CCOc1ccc(N2CCN(CC[C@@H](O)c3ccccc3)CC2)cc1 ZINC001345031202 1390832044 /nfs/dbraw/zinc/83/20/44/1390832044.db2.gz YNNKDJAINFDLBE-OAQYLSRUSA-N 0 3 340.467 3.331 20 10 EGCDHN CCOc1ccc(C[NH2+][C@H](CO)Cc2ccc(C)c(C)c2)c([O-])c1 ZINC000835072728 1126111495 /nfs/dbraw/zinc/11/14/95/1126111495.db2.gz HEZZQTCCDATKKN-SFHVURJKSA-N 0 3 329.440 3.101 20 10 EGCDHN COc1ccc(CN2CCC[N@H+](Cc3ccccc3[O-])CC2)cc1 ZINC000183290584 455271438 /nfs/dbraw/zinc/27/14/38/455271438.db2.gz PERWPUJQTSYRRL-UHFFFAOYSA-N 0 3 326.440 3.109 20 10 EGCDHN COc1ccc(CN2CCC[N@@H+](Cc3ccccc3[O-])CC2)cc1 ZINC000183290584 455271441 /nfs/dbraw/zinc/27/14/41/455271441.db2.gz PERWPUJQTSYRRL-UHFFFAOYSA-N 0 3 326.440 3.109 20 10 EGCDHN COc1cc(O)c(CN(C)Cc2ccc(N(C)C)cc2)cc1OC ZINC000159502905 455381347 /nfs/dbraw/zinc/38/13/47/455381347.db2.gz BTIDSOLRCISNPN-UHFFFAOYSA-N 0 3 330.428 3.107 20 10 EGCDHN COc1cc([O-])c(C[N@H+](C)Cc2ccc(N(C)C)cc2)cc1OC ZINC000159502905 455381350 /nfs/dbraw/zinc/38/13/50/455381350.db2.gz BTIDSOLRCISNPN-UHFFFAOYSA-N 0 3 330.428 3.107 20 10 EGCDHN COc1cc([O-])c(C[N@@H+](C)Cc2ccc(N(C)C)cc2)cc1OC ZINC000159502905 455381353 /nfs/dbraw/zinc/38/13/53/455381353.db2.gz BTIDSOLRCISNPN-UHFFFAOYSA-N 0 3 330.428 3.107 20 10 EGCDHN CCOCc1cc(CNC[C@@](C)(O)c2ccsc2)ccc1OC ZINC000077460523 454108678 /nfs/dbraw/zinc/10/86/78/454108678.db2.gz WBVSYTFALFLLQG-GOSISDBHSA-N 0 3 335.469 3.291 20 10 EGCDHN CC[C@H]([NH2+]Cc1cccc(OC)c1[O-])[C@@H](O)c1c(F)cccc1F ZINC000266295857 455426182 /nfs/dbraw/zinc/42/61/82/455426182.db2.gz LDTCAXSAGSNLQW-KBXCAEBGSA-N 0 3 337.366 3.281 20 10 EGCDHN CC[C@@H]([NH2+]Cc1cccc(OC)c1[O-])[C@@H](O)c1c(F)cccc1F ZINC000266295860 455426272 /nfs/dbraw/zinc/42/62/72/455426272.db2.gz LDTCAXSAGSNLQW-RDTXWAMCSA-N 0 3 337.366 3.281 20 10 EGCDHN Cc1ccc(O)c(CN2CCCN(C(=O)c3ccsc3)CC2)c1 ZINC000092149298 454528971 /nfs/dbraw/zinc/52/89/71/454528971.db2.gz GMSDCORHSIXHBW-UHFFFAOYSA-N 0 3 330.453 3.110 20 10 EGCDHN CCC(=O)N1CCCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000092186861 454532360 /nfs/dbraw/zinc/53/23/60/454532360.db2.gz PJLOLEQBUWISFQ-UHFFFAOYSA-N 0 3 329.488 3.121 20 10 EGCDHN CCCOc1ccc(C[NH+]2CCC(N3CCCCC3=O)CC2)c([O-])c1 ZINC000093741729 454731318 /nfs/dbraw/zinc/73/13/18/454731318.db2.gz YAEMOTBBDZFMEE-UHFFFAOYSA-N 0 3 346.471 3.158 20 10 EGCDHN COc1ccc(N2CCC([NH2+]Cc3ccc([O-])c(F)c3)CC2)cc1 ZINC000153423863 454791721 /nfs/dbraw/zinc/79/17/21/454791721.db2.gz BSHFWTNCAKMUBN-UHFFFAOYSA-N 0 3 330.403 3.299 20 10 EGCDHN CC(C)C(=O)NCCN[C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000178225137 454943435 /nfs/dbraw/zinc/94/34/35/454943435.db2.gz GTEUUUBBSKCIJZ-KRWDZBQOSA-N 0 3 331.504 3.490 20 10 EGCDHN CC[C@H]([NH2+]C[C@@H](c1ccc(C)o1)N1CCOCC1)c1ccccc1[O-] ZINC000154969641 454948975 /nfs/dbraw/zinc/94/89/75/454948975.db2.gz FHMATTABJASYNM-ROUUACIJSA-N 0 3 344.455 3.408 20 10 EGCDHN Cc1nn(C)cc1[C@H](C)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000178723502 454969981 /nfs/dbraw/zinc/96/99/81/454969981.db2.gz JRMIGQRUSPVGEF-KGLIPLIRSA-N 0 3 346.450 3.116 20 10 EGCDHN Cc1cc(CN(C)Cc2ccc(N(C)C)cc2)ccc1-n1cncn1 ZINC000155185333 454971785 /nfs/dbraw/zinc/97/17/85/454971785.db2.gz BKUABKUYLQSEHT-UHFFFAOYSA-N 0 3 335.455 3.274 20 10 EGCDHN CC[C@@H]([NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1)c1ccccc1[O-] ZINC000155595281 455020327 /nfs/dbraw/zinc/02/03/27/455020327.db2.gz ROHKWWIXGRJBJJ-CXAGYDPISA-N 0 3 348.468 3.102 20 10 EGCDHN COc1cccc(CN2CCC(C(=O)c3ccccc3)CC2)c1O ZINC000179879528 455093334 /nfs/dbraw/zinc/09/33/34/455093334.db2.gz OSJKHWVAQJJHDU-UHFFFAOYSA-N 0 3 325.408 3.496 20 10 EGCDHN CC[C@@H]([NH2+]Cc1cccc(OCC(=O)OC)c1)c1ccccc1[O-] ZINC000156602498 455136803 /nfs/dbraw/zinc/13/68/03/455136803.db2.gz GKAJAJFPIIVDDA-QGZVFWFLSA-N 0 3 329.396 3.185 20 10 EGCDHN CC[C@@H](O)CN(Cc1ccccc1)Cc1cc(OC)c(OC)cc1O ZINC000180481178 455178994 /nfs/dbraw/zinc/17/89/94/455178994.db2.gz RMCPEJRQHRPVNN-QGZVFWFLSA-N 0 3 345.439 3.183 20 10 EGCDHN CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cc(OC)c(OC)cc1[O-] ZINC000180481178 455178999 /nfs/dbraw/zinc/17/89/99/455178999.db2.gz RMCPEJRQHRPVNN-QGZVFWFLSA-N 0 3 345.439 3.183 20 10 EGCDHN CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cc(OC)c(OC)cc1[O-] ZINC000180481178 455179003 /nfs/dbraw/zinc/17/90/03/455179003.db2.gz RMCPEJRQHRPVNN-QGZVFWFLSA-N 0 3 345.439 3.183 20 10 EGCDHN COc1cc(OC)c(CC[NH2+][C@H](C)c2ccccc2[O-])c(OC)c1 ZINC000183504042 455300601 /nfs/dbraw/zinc/30/06/01/455300601.db2.gz FEFSJYUUATXUNW-CYBMUJFWSA-N 0 3 331.412 3.311 20 10 EGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H](CN2CCOCC2)c2ccccc2)c1 ZINC000184903853 455469366 /nfs/dbraw/zinc/46/93/66/455469366.db2.gz XXZZLWAOBGQFSR-XLIONFOSSA-N 0 3 340.467 3.425 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+][C@@H](CN2CCOCC2)c2ccccc2)c([O-])c1 ZINC000184904211 455469733 /nfs/dbraw/zinc/46/97/33/455469733.db2.gz NSUFZFKGJHBLLC-PXNSSMCTSA-N 0 3 340.467 3.425 20 10 EGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H](CN2CCOCC2)c2ccccc2)c1 ZINC000184903891 455469971 /nfs/dbraw/zinc/46/99/71/455469971.db2.gz XXZZLWAOBGQFSR-YLJYHZDGSA-N 0 3 340.467 3.425 20 10 EGCDHN Cc1ccc([C@@H](C[NH2+][C@H](C)c2cc(F)ccc2[O-])N2CCOCC2)o1 ZINC000184909878 455470421 /nfs/dbraw/zinc/47/04/21/455470421.db2.gz MGHAOOIMJAOAFF-RHSMWYFYSA-N 0 3 348.418 3.157 20 10 EGCDHN C[C@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1cc(F)ccc1[O-] ZINC000185167075 455514815 /nfs/dbraw/zinc/51/48/15/455514815.db2.gz XAQFRUWYMSWQKB-ZDUSSCGKSA-N 0 3 337.416 3.046 20 10 EGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCCS(=O)(=O)c2ccccc2)c1 ZINC000185166762 455514926 /nfs/dbraw/zinc/51/49/26/455514926.db2.gz YAJOTMGGLFKBJW-HNNXBMFYSA-N 0 3 333.453 3.215 20 10 EGCDHN CCN(Cc1ccccc1)C(=O)CN[C@H](C)c1cc(C)ccc1O ZINC000185195690 455519661 /nfs/dbraw/zinc/51/96/61/455519661.db2.gz XFQVLIILLYGERD-MRXNPFEDSA-N 0 3 326.440 3.400 20 10 EGCDHN CCN1CCN(c2cccc(NCc3cccc(OC)c3O)c2)CC1 ZINC000191886042 455529101 /nfs/dbraw/zinc/52/91/01/455529101.db2.gz JJYNDHSSFAFIJA-UHFFFAOYSA-N 0 3 341.455 3.155 20 10 EGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H](O)COc2ccc(F)c(F)c2)c1 ZINC000185374824 455550442 /nfs/dbraw/zinc/55/04/42/455550442.db2.gz YSKZPKNLUJXJRN-STQMWFEESA-N 0 3 337.366 3.069 20 10 EGCDHN Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)nc2)c([O-])c1 ZINC000284157976 455644986 /nfs/dbraw/zinc/64/49/86/455644986.db2.gz PPVKBMDHGJVWKN-MRXNPFEDSA-N 0 3 341.455 3.091 20 10 EGCDHN CO[C@@H](CN(C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000284174942 455646691 /nfs/dbraw/zinc/64/66/91/455646691.db2.gz XZAGTZKUYTYTNP-NRFANRHFSA-N 0 3 340.467 3.343 20 10 EGCDHN Cc1cc(C[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])n(C)n1 ZINC000284341703 455671543 /nfs/dbraw/zinc/67/15/43/455671543.db2.gz MVJBKGQZYZEWSI-LLVKDONJSA-N 0 3 338.249 3.356 20 10 EGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000186190650 455712994 /nfs/dbraw/zinc/71/29/94/455712994.db2.gz WXAIAFKMVOBGHB-SJLPKXTDSA-N 0 3 338.451 3.400 20 10 EGCDHN C[C@@H](NC[C@@H](O)c1cnn(C)c1)c1ccc(N2CCCCCC2)cc1 ZINC000268904104 455724284 /nfs/dbraw/zinc/72/42/84/455724284.db2.gz PGLHCCZYLZKNJH-OXQOHEQNSA-N 0 3 342.487 3.185 20 10 EGCDHN CCO[C@H]1C[C@@H]([NH2+]Cc2cc(OC)ccc2[O-])[C@@H]1Oc1ccccc1 ZINC000186275921 455731139 /nfs/dbraw/zinc/73/11/39/455731139.db2.gz YXAAUUOPCRTQFR-HOJAQTOUSA-N 0 3 343.423 3.115 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C2CCC(O)(c3cccnc3)CC2)c1 ZINC000186358072 455750833 /nfs/dbraw/zinc/75/08/33/455750833.db2.gz SBTHEZJRSPVZAW-GPWPYBQESA-N 0 3 342.439 3.277 20 10 EGCDHN COC(=O)COc1cccc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])c1 ZINC000284910047 455761151 /nfs/dbraw/zinc/76/11/51/455761151.db2.gz CPCRTWGFRCZLQE-HNNXBMFYSA-N 0 3 343.423 3.412 20 10 EGCDHN CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000285136944 455794040 /nfs/dbraw/zinc/79/40/40/455794040.db2.gz OLNUHQHWJBRKPJ-GFCCVEGCSA-N 0 3 337.416 3.176 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2[O-])CCN1C(=O)OC(C)(C)C ZINC000278240595 455795142 /nfs/dbraw/zinc/79/51/42/455795142.db2.gz LKVWFZJEURIKEE-DOMZBBRYSA-N 0 3 338.423 3.409 20 10 EGCDHN COc1ccc(OC)c([C@@H](O)C[NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])c1 ZINC000293930256 455801437 /nfs/dbraw/zinc/80/14/37/455801437.db2.gz XXUNQQMOBAYLOJ-KSSFIOAISA-N 0 3 345.439 3.410 20 10 EGCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C1CCN(C2CC2)CC1 ZINC000278489967 455837466 /nfs/dbraw/zinc/83/74/66/455837466.db2.gz LKNHNORIMGZZDZ-UHFFFAOYSA-N 0 3 343.515 3.364 20 10 EGCDHN COc1ccc([O-])c(C[N@H+](C[C@@H](O)COc2ccccc2)C(C)C)c1 ZINC000278631761 455842484 /nfs/dbraw/zinc/84/24/84/455842484.db2.gz IHCKUPJWJRRRBD-QGZVFWFLSA-N 0 3 345.439 3.051 20 10 EGCDHN COc1ccc([O-])c(C[N@@H+](C[C@@H](O)COc2ccccc2)C(C)C)c1 ZINC000278631761 455842490 /nfs/dbraw/zinc/84/24/90/455842490.db2.gz IHCKUPJWJRRRBD-QGZVFWFLSA-N 0 3 345.439 3.051 20 10 EGCDHN C[NH+](C)[C@@H]1CCN(c2ccc(NCc3c([O-])cccc3Cl)nc2)C1 ZINC000269511769 455849397 /nfs/dbraw/zinc/84/93/97/455849397.db2.gz OQCAWMPUBZLXTP-CQSZACIVSA-N 0 3 346.862 3.193 20 10 EGCDHN COc1cccc(CN[C@@H](C)c2ccc(Br)cn2)c1O ZINC000279665255 455870524 /nfs/dbraw/zinc/87/05/24/455870524.db2.gz GVFVTEWYJBRAMM-JTQLQIEISA-N 0 3 337.217 3.409 20 10 EGCDHN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCCN1C1CC1 ZINC000279726727 455871055 /nfs/dbraw/zinc/87/10/55/455871055.db2.gz MYRBULZSOCBGIN-FQEVSTJZSA-N 0 3 341.499 3.262 20 10 EGCDHN O=C1[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCCN1C1CCCCC1 ZINC000296349119 455914892 /nfs/dbraw/zinc/91/48/92/455914892.db2.gz HIVOFBKOXKYUGH-IAGOWNOFSA-N 0 3 328.456 3.293 20 10 EGCDHN O=C(Nc1ccccc1)N1CC[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000296624443 455992529 /nfs/dbraw/zinc/99/25/29/455992529.db2.gz ZLNOTOHPTPIFCE-IAGOWNOFSA-N 0 3 337.423 3.276 20 10 EGCDHN Cc1ccc([O-])c(C[NH2+]CCCOCCOCc2ccccc2)c1 ZINC000272578817 456000900 /nfs/dbraw/zinc/00/09/00/456000900.db2.gz PJVRPMRGHULGOM-UHFFFAOYSA-N 0 3 329.440 3.414 20 10 EGCDHN Cc1ccc(O)c([C@H](C)NCc2ccncc2OC[C@H]2CCOC2)c1 ZINC000287264921 456065551 /nfs/dbraw/zinc/06/55/51/456065551.db2.gz IQZUJKXAKYIHIX-HOTGVXAUSA-N 0 3 342.439 3.362 20 10 EGCDHN CCOCc1cc(CN[C@@H](CC)[C@H](O)C(F)(F)F)ccc1OC ZINC000270972457 456082201 /nfs/dbraw/zinc/08/22/01/456082201.db2.gz JRKMYAFVTHONCD-ZFWWWQNUSA-N 0 3 335.366 3.023 20 10 EGCDHN COC(=O)C1CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000270999640 456092644 /nfs/dbraw/zinc/09/26/44/456092644.db2.gz KRCXORNAIGHEOH-UHFFFAOYSA-N 0 3 325.408 3.444 20 10 EGCDHN Cc1cc([O-])c(C[NH2+]CCCn2cc(Br)cn2)cc1C ZINC000288367728 456094082 /nfs/dbraw/zinc/09/40/82/456094082.db2.gz DTYWVHOFNLBANY-UHFFFAOYSA-N 0 3 338.249 3.148 20 10 EGCDHN COc1cccc(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H]2C)c1[O-] ZINC000288443702 456096085 /nfs/dbraw/zinc/09/60/85/456096085.db2.gz MFKIIMWBIIIEGA-YJBOKZPZSA-N 0 3 326.440 3.153 20 10 EGCDHN CCOCc1cc(CN[C@H](C)[C@H](O)c2ccccc2)ccc1OC ZINC000288634068 456101362 /nfs/dbraw/zinc/10/13/62/456101362.db2.gz SZVPQJYAZIBDSN-QRWLVFNGSA-N 0 3 329.440 3.443 20 10 EGCDHN C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccncc1 ZINC000271064430 456117081 /nfs/dbraw/zinc/11/70/81/456117081.db2.gz IHSARWBRZCJVBX-INIZCTEOSA-N 0 3 325.456 3.141 20 10 EGCDHN COC[C@]1(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])OCCc2ccccc21 ZINC000289802802 456143863 /nfs/dbraw/zinc/14/38/63/456143863.db2.gz OBFDESDAVJQSMA-XOBRGWDASA-N 0 3 345.414 3.297 20 10 EGCDHN COc1ccc(N2CCN(CCCNc3cc(C)ccn3)CC2)cc1 ZINC000301616370 456163559 /nfs/dbraw/zinc/16/35/59/456163559.db2.gz AEKUINQMCQVZPK-UHFFFAOYSA-N 0 3 340.471 3.023 20 10 EGCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCCn1cc(Br)cn1)CC2 ZINC000297340827 456191305 /nfs/dbraw/zinc/19/13/05/456191305.db2.gz OMPJLVMUVZADRD-ZDUSSCGKSA-N 0 3 336.233 3.018 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(NS(C)(=O)=O)cc2)c([O-])c1C ZINC000273300218 456222062 /nfs/dbraw/zinc/22/20/62/456222062.db2.gz BDWWTZKQHFEVNL-AWEZNQCLSA-N 0 3 348.468 3.231 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2CS(C)(=O)=O)c([O-])c1C ZINC000273464947 456232641 /nfs/dbraw/zinc/23/26/41/456232641.db2.gz DMPGWPMEDLKGHU-OAHLLOKOSA-N 0 3 347.480 3.404 20 10 EGCDHN Cc1ccc([C@@H](C)N[C@@H]2CCCN(CC(F)(F)F)C2=O)c(O)c1C ZINC000273546864 456238054 /nfs/dbraw/zinc/23/80/54/456238054.db2.gz ZPKKIGLVHZPWSJ-TZMCWYRMSA-N 0 3 344.377 3.213 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)c([O-])c1C ZINC000273546864 456238058 /nfs/dbraw/zinc/23/80/58/456238058.db2.gz ZPKKIGLVHZPWSJ-TZMCWYRMSA-N 0 3 344.377 3.213 20 10 EGCDHN CN(C)c1ccc(CN2CCC(O)(c3ccccc3)CC2)cc1F ZINC000274384405 456257700 /nfs/dbraw/zinc/25/77/00/456257700.db2.gz HAYYGUAHOSRUTN-UHFFFAOYSA-N 0 3 328.431 3.375 20 10 EGCDHN CN(C)c1ccc(CN(Cc2ccco2)C2CCN(C)CC2)cc1 ZINC000290501416 456347137 /nfs/dbraw/zinc/34/71/37/456347137.db2.gz PCYLUYMPQRWUFF-UHFFFAOYSA-N 0 3 327.472 3.442 20 10 EGCDHN C[C@H]([NH2+]Cc1ccccc1[O-])c1ccc(N2CCCNC2=O)cc1 ZINC000291153028 456547070 /nfs/dbraw/zinc/54/70/70/456547070.db2.gz ZTESDKLZYXQAFI-AWEZNQCLSA-N 0 3 325.412 3.163 20 10 EGCDHN CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000283694812 456825493 /nfs/dbraw/zinc/82/54/93/456825493.db2.gz RJGFJEOKBPULSD-QAPCUYQASA-N 0 3 345.487 3.187 20 10 EGCDHN CC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000378497462 457404160 /nfs/dbraw/zinc/40/41/60/457404160.db2.gz PYZWYCRVSORLGN-LJQANCHMSA-N 0 3 330.472 3.395 20 10 EGCDHN CC(C)(O)CN1CCc2c(cccc2NCc2ccccc2O)C1 ZINC000374648145 457680023 /nfs/dbraw/zinc/68/00/23/457680023.db2.gz VYFWWSPZLPRUIY-UHFFFAOYSA-N 0 3 326.440 3.133 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1[O-] ZINC000374994927 457747954 /nfs/dbraw/zinc/74/79/54/457747954.db2.gz BNZLLGAWNGTRNF-CHWSQXEVSA-N 0 3 340.261 3.322 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1[O-] ZINC000374994927 457747957 /nfs/dbraw/zinc/74/79/57/457747957.db2.gz BNZLLGAWNGTRNF-CHWSQXEVSA-N 0 3 340.261 3.322 20 10 EGCDHN CN(C)c1ccc(CNC(=O)CN2CCC3(CCCC3)CC2)cc1 ZINC000738343504 574592132 /nfs/dbraw/zinc/59/21/32/574592132.db2.gz NFQIPAYIEBGQPK-UHFFFAOYSA-N 0 3 329.488 3.025 20 10 EGCDHN CN1CCCc2cc(CNC[C@@H](O)c3ccc(F)c(F)c3)ccc21 ZINC000727643947 574680202 /nfs/dbraw/zinc/68/02/02/574680202.db2.gz QXKVAOCFTCNSOG-LJQANCHMSA-N 0 3 332.394 3.170 20 10 EGCDHN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000727742396 574687999 /nfs/dbraw/zinc/68/79/99/574687999.db2.gz OHLGBSGCXYIYNA-CQSZACIVSA-N 0 3 331.485 3.368 20 10 EGCDHN CC1(C)CN(C2(C[NH2+]Cc3ccccc3[O-])CCCCC2)CCO1 ZINC000731218660 575059798 /nfs/dbraw/zinc/05/97/98/575059798.db2.gz YPTOMNGLPGVQCL-UHFFFAOYSA-N 0 3 332.488 3.296 20 10 EGCDHN O=C(c1cc([O-])cs1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000732273170 575251912 /nfs/dbraw/zinc/25/19/12/575251912.db2.gz KYCPFHJVJVFRIF-UHFFFAOYSA-N 0 3 342.464 3.117 20 10 EGCDHN O=C(c1cc([O-])cs1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000732273170 575251914 /nfs/dbraw/zinc/25/19/14/575251914.db2.gz KYCPFHJVJVFRIF-UHFFFAOYSA-N 0 3 342.464 3.117 20 10 EGCDHN O=C(C1=CC(=O)CS1)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000732273170 575251916 /nfs/dbraw/zinc/25/19/16/575251916.db2.gz KYCPFHJVJVFRIF-UHFFFAOYSA-N 0 3 342.464 3.117 20 10 EGCDHN CC(C)[C@@H](C(=O)NCCCSc1nccs1)N1CCCCC1 ZINC000733974661 575417048 /nfs/dbraw/zinc/41/70/48/575417048.db2.gz HZBPVPCAPQHCRO-AWEZNQCLSA-N 0 3 341.546 3.252 20 10 EGCDHN CCC[N@H+](Cc1ccccc1O)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000736481081 575973022 /nfs/dbraw/zinc/97/30/22/575973022.db2.gz SQUHVEYAVMBPKV-UHFFFAOYSA-N 0 3 341.390 3.124 20 10 EGCDHN CCC[N@@H+](Cc1ccccc1O)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000736481081 575973024 /nfs/dbraw/zinc/97/30/24/575973024.db2.gz SQUHVEYAVMBPKV-UHFFFAOYSA-N 0 3 341.390 3.124 20 10 EGCDHN Cc1ccc([O-])c(C[NH2+][C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000741257816 576669333 /nfs/dbraw/zinc/66/93/33/576669333.db2.gz ZJPONUNUKLBDSF-UWJYYQICSA-N 0 3 340.467 3.080 20 10 EGCDHN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000742169935 576754850 /nfs/dbraw/zinc/75/48/50/576754850.db2.gz VFCMCUABSFQPDC-INIZCTEOSA-N 0 3 325.456 3.248 20 10 EGCDHN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000742169935 576754852 /nfs/dbraw/zinc/75/48/52/576754852.db2.gz VFCMCUABSFQPDC-INIZCTEOSA-N 0 3 325.456 3.248 20 10 EGCDHN Cc1cc(O)c(CN[C@H](CC(=O)N(C)C)c2ccccc2)cc1C ZINC000742367727 576774259 /nfs/dbraw/zinc/77/42/59/576774259.db2.gz GVOYZLPFDXLKRY-GOSISDBHSA-N 0 3 326.440 3.318 20 10 EGCDHN C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820432331 599393024 /nfs/dbraw/zinc/39/30/24/599393024.db2.gz NXSJEEYPEIYONX-HNNXBMFYSA-N 0 3 348.454 3.318 20 10 EGCDHN C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820432331 599393026 /nfs/dbraw/zinc/39/30/26/599393026.db2.gz NXSJEEYPEIYONX-HNNXBMFYSA-N 0 3 348.454 3.318 20 10 EGCDHN Cc1cc(CN(C)CCNC(=O)C(C)C)ccc1N1CCCCC1 ZINC000828588923 1292478691 /nfs/dbraw/zinc/47/86/91/1292478691.db2.gz CUCKNGOQKVNTIP-UHFFFAOYSA-N 0 3 331.504 3.189 20 10 EGCDHN CN(C)C(=O)c1ccc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)[nH]1 ZINC000093319237 1292916681 /nfs/dbraw/zinc/91/66/81/1292916681.db2.gz MDIWGVTUFWPQPG-UHFFFAOYSA-N 0 3 341.455 3.367 20 10 EGCDHN CN(C)C(=O)c1ccc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)[nH]1 ZINC000093319237 1292916689 /nfs/dbraw/zinc/91/66/89/1292916689.db2.gz MDIWGVTUFWPQPG-UHFFFAOYSA-N 0 3 341.455 3.367 20 10 EGCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCOc1cccc(C(F)(F)F)n1)CC2 ZINC000834692478 1293132959 /nfs/dbraw/zinc/13/29/59/1293132959.db2.gz CDJUZDMKPSWJMQ-LBPRGKRZSA-N 0 3 338.329 3.462 20 10 EGCDHN CCN(C)c1ccc([C@H](C)NCc2cccc(S(C)(=O)=O)c2)cc1 ZINC000834882993 1293163508 /nfs/dbraw/zinc/16/35/08/1293163508.db2.gz FWKBOWNCKMVPIZ-HNNXBMFYSA-N 0 3 346.496 3.397 20 10 EGCDHN CC[C@@H]([NH2+]CCCNC(=O)c1cccc(F)c1)c1ccccc1[O-] ZINC000156525891 1294146874 /nfs/dbraw/zinc/14/68/74/1294146874.db2.gz WUFPMTMOMDMSQR-QGZVFWFLSA-N 0 3 330.403 3.392 20 10 EGCDHN C[C@@H](NCc1ccccc1N1CCOCC1)c1ccc(N(C)C)cc1 ZINC000177963796 1294705647 /nfs/dbraw/zinc/70/56/47/1294705647.db2.gz SPQVURHKCHXEMV-QGZVFWFLSA-N 0 3 339.483 3.440 20 10 EGCDHN COC(=O)c1ccc(CN[C@@H](C)c2cc(OC)ccc2O)c(F)c1 ZINC000182358408 1295039608 /nfs/dbraw/zinc/03/96/08/1295039608.db2.gz SKHPRCNYUZWILU-NSHDSACASA-N 0 3 333.359 3.177 20 10 EGCDHN CCN(C(=O)CN[C@@H](C)c1cc(OC)ccc1O)C1CCCCC1 ZINC000182426954 1295045649 /nfs/dbraw/zinc/04/56/49/1295045649.db2.gz TXAVMGQVBFLKCA-AWEZNQCLSA-N 0 3 334.460 3.233 20 10 EGCDHN Oc1cc2c(cc1CN1CC[C@H](c3c(F)cccc3F)C1)OCO2 ZINC000184326146 1295189184 /nfs/dbraw/zinc/18/91/84/1295189184.db2.gz VFUGVEKLBATEOD-NSHDSACASA-N 0 3 333.334 3.389 20 10 EGCDHN COc1ccc(CC[NH2+][C@H](C)c2cc(F)ccc2[O-])c(OC)c1OC ZINC000185327545 1295256323 /nfs/dbraw/zinc/25/63/23/1295256323.db2.gz WAPPOCSJMYVCHC-GFCCVEGCSA-N 0 3 349.402 3.450 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CC(=O)N(c3c(F)cccc3F)C2)c([O-])c1 ZINC000185855828 1295290295 /nfs/dbraw/zinc/29/02/95/1295290295.db2.gz WHNVXNRXKQKNBQ-OLZOCXBDSA-N 0 3 346.377 3.435 20 10 EGCDHN CCOC(=O)[C@](C)(C[NH2+]Cc1cc(F)ccc1[O-])c1ccccc1 ZINC000191637219 1295699006 /nfs/dbraw/zinc/69/90/06/1295699006.db2.gz AGPWVTKSUIJTDO-LJQANCHMSA-N 0 3 331.387 3.142 20 10 EGCDHN COCCO[C@@H]1CCCN(Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000193421517 1295866578 /nfs/dbraw/zinc/86/65/78/1295866578.db2.gz XHHAIXWMQSWCIN-MRXNPFEDSA-N 0 3 337.460 3.023 20 10 EGCDHN CCN(CC)C(=O)C1(NCc2ccc3c(c2)CCO3)CCCCC1 ZINC000237003455 1296216436 /nfs/dbraw/zinc/21/64/36/1296216436.db2.gz HXNGVFVJYRZKSV-UHFFFAOYSA-N 0 3 330.472 3.282 20 10 EGCDHN O=C(NCc1ccco1)c1cccc(C[NH2+]Cc2ccccc2[O-])c1 ZINC000238107315 1296276725 /nfs/dbraw/zinc/27/67/25/1296276725.db2.gz MOPSBRIJGDLIMO-UHFFFAOYSA-N 0 3 336.391 3.205 20 10 EGCDHN CC[C@H]([NH2+]C[C@H](C)CN(C)C)c1cc(Br)ccc1[O-] ZINC000388708245 1297604770 /nfs/dbraw/zinc/60/47/70/1297604770.db2.gz XBCSCTLVWLFDMF-FZMZJTMJSA-N 0 3 329.282 3.393 20 10 EGCDHN C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000697838142 1298165853 /nfs/dbraw/zinc/16/58/53/1298165853.db2.gz JWNOQLXOTWWKAL-NEPJUHHUSA-N 0 3 326.412 3.343 20 10 EGCDHN CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000715095567 1298277192 /nfs/dbraw/zinc/27/71/92/1298277192.db2.gz FXEYYJPDTHPBBQ-VHDGCEQUSA-N 0 3 332.444 3.272 20 10 EGCDHN [O-]c1c(F)cc(Br)cc1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000715778765 1298285426 /nfs/dbraw/zinc/28/54/26/1298285426.db2.gz MIOGRPFBDKOCIU-OLZOCXBDSA-N 0 3 343.240 3.010 20 10 EGCDHN [O-]c1c(F)cc(Br)cc1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000715778765 1298285433 /nfs/dbraw/zinc/28/54/33/1298285433.db2.gz MIOGRPFBDKOCIU-OLZOCXBDSA-N 0 3 343.240 3.010 20 10 EGCDHN CCOc1ccc(C[NH2+]C[C@H](c2ccco2)N2CCCC2)c([O-])c1 ZINC000725841712 1298371692 /nfs/dbraw/zinc/37/16/92/1298371692.db2.gz WTXXTUCJNNOQNS-QGZVFWFLSA-N 0 3 330.428 3.311 20 10 EGCDHN COc1cc(Br)cc(CNCc2ccoc2C)c1O ZINC000725848836 1298374310 /nfs/dbraw/zinc/37/43/10/1298374310.db2.gz KYKJKFYRJGZGLA-UHFFFAOYSA-N 0 3 326.190 3.355 20 10 EGCDHN CC(C)N(Cc1ccc(N2CCC(O)CC2)cc1)Cc1ccccn1 ZINC000876624060 1298879666 /nfs/dbraw/zinc/87/96/66/1298879666.db2.gz FDOHZROMOLONHP-UHFFFAOYSA-N 0 3 339.483 3.453 20 10 EGCDHN COC(=O)C[C@@H]1CCCCN1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000748049733 1298917430 /nfs/dbraw/zinc/91/74/30/1298917430.db2.gz PMGGWXAOJBIBST-AWEZNQCLSA-N 0 3 339.819 3.166 20 10 EGCDHN Cc1cccc([O-])c1C[NH2+]CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000877015298 1299115130 /nfs/dbraw/zinc/11/51/30/1299115130.db2.gz KTYQSVLHCBLHGI-HNNXBMFYSA-N 0 3 334.460 3.437 20 10 EGCDHN Cc1ccc(C[N@H+]2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000877167600 1299190585 /nfs/dbraw/zinc/19/05/85/1299190585.db2.gz CYDQYNALYIMCFY-GJZGRUSLSA-N 0 3 334.460 3.436 20 10 EGCDHN Cc1ccc(C[N@@H+]2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000877167600 1299190592 /nfs/dbraw/zinc/19/05/92/1299190592.db2.gz CYDQYNALYIMCFY-GJZGRUSLSA-N 0 3 334.460 3.436 20 10 EGCDHN CC(=O)NCCN(Cc1ccc(C)s1)Cc1c(C)cccc1O ZINC000877502541 1299351918 /nfs/dbraw/zinc/35/19/18/1299351918.db2.gz LTTOAZSBIPAOEM-UHFFFAOYSA-N 0 3 332.469 3.209 20 10 EGCDHN Cc1ccc(C[NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000877574386 1299409398 /nfs/dbraw/zinc/40/93/98/1299409398.db2.gz HVZODKFZYBFQQH-HOCLYGCPSA-N 0 3 334.460 3.484 20 10 EGCDHN C[C@@H]([NH2+][C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1)c1ccccc1[O-] ZINC000877756460 1299532882 /nfs/dbraw/zinc/53/28/82/1299532882.db2.gz JSELGCAXXXBILT-LLGFUMIMSA-N 0 3 340.467 3.332 20 10 EGCDHN C[C@@H]1COCC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000753546651 1299970097 /nfs/dbraw/zinc/97/00/97/1299970097.db2.gz JGIQUXIBRYPBIF-INIZCTEOSA-N 0 3 327.424 3.440 20 10 EGCDHN C[C@@H]1COCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000753546651 1299970107 /nfs/dbraw/zinc/97/01/07/1299970107.db2.gz JGIQUXIBRYPBIF-INIZCTEOSA-N 0 3 327.424 3.440 20 10 EGCDHN C[C@H](NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756418356 1300487507 /nfs/dbraw/zinc/48/75/07/1300487507.db2.gz ARROYLMNFDWBOH-KFWWJZLASA-N 0 3 335.448 3.319 20 10 EGCDHN Cc1cccc(OC[C@H](O)C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)c1 ZINC000756453659 1300494687 /nfs/dbraw/zinc/49/46/87/1300494687.db2.gz HQMOPNWVLHBDCA-CPUCHLNUSA-N 0 3 345.414 3.418 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+]CCNC(=O)c2ccc(F)cc2)c2c1c(F)ccc2[O-] ZINC000756454225 1300495349 /nfs/dbraw/zinc/49/53/49/1300495349.db2.gz KNZQPKBBFXQSQG-IAQYHMDHSA-N 0 3 346.377 3.238 20 10 EGCDHN COc1cc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2[O-])ccc1OCCO ZINC000756461145 1300497744 /nfs/dbraw/zinc/49/77/44/1300497744.db2.gz WBAQGMUBFISIST-OLZOCXBDSA-N 0 3 349.402 3.323 20 10 EGCDHN COc1ccc(C)cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648532 1300647398 /nfs/dbraw/zinc/64/73/98/1300647398.db2.gz SJDKKWYGAUZXIB-ZIAGYGMSSA-N 0 3 328.412 3.387 20 10 EGCDHN CCOc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000879648152 1300648026 /nfs/dbraw/zinc/64/80/26/1300648026.db2.gz ADBSNBOOXGWBAP-ZIAGYGMSSA-N 0 3 328.412 3.469 20 10 EGCDHN CSc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000879649019 1300649067 /nfs/dbraw/zinc/64/90/67/1300649067.db2.gz HPPUKEADRJXGMP-ZIAGYGMSSA-N 0 3 333.453 3.205 20 10 EGCDHN CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)[C@]12CCCO2 ZINC000760881585 1301357574 /nfs/dbraw/zinc/35/75/74/1301357574.db2.gz QEAJYPYQQMIJBQ-XDWRHGOUSA-N 0 3 335.419 3.396 20 10 EGCDHN COC(=O)CC1([NH2+]Cc2cc(Cl)cc(OC)c2[O-])CCCCC1 ZINC000761201661 1301419676 /nfs/dbraw/zinc/41/96/76/1301419676.db2.gz HIGMNQCIINDDAM-UHFFFAOYSA-N 0 3 341.835 3.410 20 10 EGCDHN CO[C@H](C)[C@@H](C)[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000765994649 1302364233 /nfs/dbraw/zinc/36/42/33/1302364233.db2.gz QLXLEOJTGQWLRD-IOASZLSFSA-N 0 3 326.868 3.023 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](Cc3ccc(F)cc3)C1)[C@@H](O)CO2 ZINC000768445844 1302906392 /nfs/dbraw/zinc/90/63/92/1302906392.db2.gz INACFCXPJCRWMM-LIRRHRJNSA-N 0 3 343.398 3.022 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](Cc3ccc(F)cc3)C1)[C@@H](O)CO2 ZINC000768445844 1302906406 /nfs/dbraw/zinc/90/64/06/1302906406.db2.gz INACFCXPJCRWMM-LIRRHRJNSA-N 0 3 343.398 3.022 20 10 EGCDHN C[C@@H](O)[C@H]1CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000768518842 1302922060 /nfs/dbraw/zinc/92/20/60/1302922060.db2.gz JBOQFRAIFMURME-WBVHZDCISA-N 0 3 347.459 3.178 20 10 EGCDHN COc1ccc(N2CCCN(Cc3n[nH]c4ccccc43)CC2)cc1 ZINC000768998985 1303030176 /nfs/dbraw/zinc/03/01/76/1303030176.db2.gz RNZYFNANPBCMNC-UHFFFAOYSA-N 0 3 336.439 3.284 20 10 EGCDHN COc1ccc(N2CCCN(Cc3[nH]nc4ccccc43)CC2)cc1 ZINC000768998985 1303030179 /nfs/dbraw/zinc/03/01/79/1303030179.db2.gz RNZYFNANPBCMNC-UHFFFAOYSA-N 0 3 336.439 3.284 20 10 EGCDHN CCOc1cccc(CN2C[C@H](CC)N(C(C)=O)C[C@@H]2CC)c1O ZINC000769496125 1303126816 /nfs/dbraw/zinc/12/68/16/1303126816.db2.gz KKBVLKFBJXKKQT-IRXDYDNUSA-N 0 3 334.460 3.012 20 10 EGCDHN C[C@@H]([NH2+]C[C@H](CO)Cc1cc(F)c(F)c(F)c1)c1ccccc1[O-] ZINC000774396864 1303806220 /nfs/dbraw/zinc/80/62/20/1303806220.db2.gz NVURPGHYWCHYSS-DGCLKSJQSA-N 0 3 339.357 3.311 20 10 EGCDHN C[C@@H](N[C@H](Cc1ccc(Cl)cc1)C(N)=O)c1ccc(N(C)C)cc1 ZINC000774482728 1303814894 /nfs/dbraw/zinc/81/48/94/1303814894.db2.gz MJWOABZZPWLFST-FZKQIMNGSA-N 0 3 345.874 3.153 20 10 EGCDHN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000775830664 1304045755 /nfs/dbraw/zinc/04/57/55/1304045755.db2.gz MHTZYYVMQBIPML-VVLHAWIVSA-N 0 3 331.504 3.296 20 10 EGCDHN CCc1ccc(CNC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000775834940 1304046608 /nfs/dbraw/zinc/04/66/08/1304046608.db2.gz WKYZWQAYXGHBIL-AWEZNQCLSA-N 0 3 345.512 3.344 20 10 EGCDHN CO[C@H]1C[C@H]([NH2+]Cc2cc(Br)cc(C)c2[O-])C1(C)C ZINC000776229715 1304117695 /nfs/dbraw/zinc/11/76/95/1304117695.db2.gz ATWKERXCCDXZNY-STQMWFEESA-N 0 3 328.250 3.366 20 10 EGCDHN COc1ccc(O)c(CN[C@@H](CO)c2ccc(C(F)(F)F)cc2)c1 ZINC000776254461 1304122212 /nfs/dbraw/zinc/12/22/12/1304122212.db2.gz WSTFUIQFBCIOCY-HNNXBMFYSA-N 0 3 341.329 3.243 20 10 EGCDHN CNC(=O)c1ccc(C[N@H+](Cc2cc(F)ccc2[O-])C2CC2)cc1 ZINC000778996826 1304516012 /nfs/dbraw/zinc/51/60/12/1304516012.db2.gz UAILOLDCUPTJAS-UHFFFAOYSA-N 0 3 328.387 3.056 20 10 EGCDHN CNC(=O)c1ccc(C[N@@H+](Cc2cc(F)ccc2[O-])C2CC2)cc1 ZINC000778996826 1304516016 /nfs/dbraw/zinc/51/60/16/1304516016.db2.gz UAILOLDCUPTJAS-UHFFFAOYSA-N 0 3 328.387 3.056 20 10 EGCDHN CCN(CC)CC[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000779005785 1304517252 /nfs/dbraw/zinc/51/72/52/1304517252.db2.gz KRSRRCKXNHNTJL-LBPRGKRZSA-N 0 3 329.282 3.456 20 10 EGCDHN C[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccccc1 ZINC000891248421 1304999689 /nfs/dbraw/zinc/99/96/89/1304999689.db2.gz LNDNWYJRRCQNCG-JXFKEZNVSA-N 0 3 339.483 3.275 20 10 EGCDHN CSc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)co1 ZINC000891248510 1305000712 /nfs/dbraw/zinc/00/07/12/1305000712.db2.gz XOLLADWBSHLDJY-MRXNPFEDSA-N 0 3 347.484 3.100 20 10 EGCDHN C[C@H]([NH2+]C[C@H](c1cccs1)N1CCN(C)CC1)c1ccccc1[O-] ZINC000783489374 1305098345 /nfs/dbraw/zinc/09/83/45/1305098345.db2.gz COPXQJUQFWZYJK-DOTOQJQBSA-N 0 3 345.512 3.093 20 10 EGCDHN COc1cc([C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])ccc1OCCO ZINC000783504426 1305100184 /nfs/dbraw/zinc/10/01/84/1305100184.db2.gz MSRJIWFQHPFJBH-KBPBESRZSA-N 0 3 331.412 3.184 20 10 EGCDHN COc1cc([C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])ccc1OCCO ZINC000783504445 1305100302 /nfs/dbraw/zinc/10/03/02/1305100302.db2.gz MSRJIWFQHPFJBH-ZIAGYGMSSA-N 0 3 331.412 3.184 20 10 EGCDHN CC[C@@H](NCc1ccc(S(C)(=O)=O)s1)c1ccccc1O ZINC000786958065 1305665749 /nfs/dbraw/zinc/66/57/49/1305665749.db2.gz LNSACYKQQDBSTN-CYBMUJFWSA-N 0 3 325.455 3.098 20 10 EGCDHN CC[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1ccccc1[O-] ZINC000786958065 1305665755 /nfs/dbraw/zinc/66/57/55/1305665755.db2.gz LNSACYKQQDBSTN-CYBMUJFWSA-N 0 3 325.455 3.098 20 10 EGCDHN O=C(N[C@@H](CN1CCCCC1)c1ccccc1)c1cccc(O)c1O ZINC000790772016 1308862596 /nfs/dbraw/zinc/86/25/96/1308862596.db2.gz IZBYSKYYKGTNSQ-KRWDZBQOSA-N 0 3 340.423 3.055 20 10 EGCDHN COCCN(C)c1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000790989374 1308905509 /nfs/dbraw/zinc/90/55/09/1308905509.db2.gz BYCAAFCQLKWSFE-MRXNPFEDSA-N 0 3 342.487 3.081 20 10 EGCDHN COc1ccc(O)c(CN[C@@H](C)c2ccc(Br)cn2)c1 ZINC000793332296 1309349300 /nfs/dbraw/zinc/34/93/00/1309349300.db2.gz HCEMQYJJCHYHGX-JTQLQIEISA-N 0 3 337.217 3.409 20 10 EGCDHN COc1ccc(C[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)c([O-])c1 ZINC000793388051 1309361102 /nfs/dbraw/zinc/36/11/02/1309361102.db2.gz JNWBDUHXCWBFJO-UHFFFAOYSA-N 0 3 327.359 3.015 20 10 EGCDHN COc1ccc(CNCc2cnn(-c3ccc(F)cc3)c2)c(O)c1 ZINC000793388051 1309361111 /nfs/dbraw/zinc/36/11/11/1309361111.db2.gz JNWBDUHXCWBFJO-UHFFFAOYSA-N 0 3 327.359 3.015 20 10 EGCDHN C[C@@H]1CN(Cc2cc3c(cc2O)CCCC3)C[C@]2(CCCOC2)O1 ZINC000794886840 1309616821 /nfs/dbraw/zinc/61/68/21/1309616821.db2.gz BERWRIZZIKDFRM-QRWLVFNGSA-N 0 3 331.456 3.041 20 10 EGCDHN Cc1cc(CNCc2ccc(N3CCOCC3)cc2)cc(Cl)n1 ZINC000797596773 1310218004 /nfs/dbraw/zinc/21/80/04/1310218004.db2.gz SLECRTKOWFSVGV-UHFFFAOYSA-N 0 3 331.847 3.170 20 10 EGCDHN CN(C)c1ccc([C@@H](CNCc2csc(C3CC3)n2)N(C)C)cc1 ZINC000898452053 1310742306 /nfs/dbraw/zinc/74/23/06/1310742306.db2.gz SUMCENOQIKGASL-GOSISDBHSA-N 0 3 344.528 3.479 20 10 EGCDHN Cc1cccc(CN[C@H](Cn2ccccc2=O)c2ccccc2)c1O ZINC000800544889 1310781633 /nfs/dbraw/zinc/78/16/33/1310781633.db2.gz GSDBMWPSZIHPSG-LJQANCHMSA-N 0 3 334.419 3.393 20 10 EGCDHN CCc1nc(CCNCc2cc(F)c(N(C)C)cc2F)cs1 ZINC000858123235 1328688794 /nfs/dbraw/zinc/68/87/94/1328688794.db2.gz RBQPVISZCWTVOX-UHFFFAOYSA-N 0 3 325.428 3.382 20 10 EGCDHN CC[S@](=O)[C@H]1CCC[C@H](NCc2cc(F)c(N(C)C)cc2F)C1 ZINC000858149116 1328696433 /nfs/dbraw/zinc/69/64/33/1328696433.db2.gz YGNZMQQQDLXIOD-QIPPXTIRSA-N 0 3 344.471 3.200 20 10 EGCDHN CCOc1ccc(C[NH2+][C@@H](CN(C)C)c2ccc(F)cc2)c([O-])c1 ZINC000808425743 1317675083 /nfs/dbraw/zinc/67/50/83/1317675083.db2.gz JLFMNHRKLDSJTO-SFHVURJKSA-N 0 3 332.419 3.323 20 10 EGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C2CCN(C(=O)C3CC3)CC2)c1[O-] ZINC000808674920 1317713378 /nfs/dbraw/zinc/71/33/78/1317713378.db2.gz QRYKSGZGYORPIP-GFCCVEGCSA-N 0 3 336.863 3.406 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCCc3c2cnn3CCO)c1[O-] ZINC000808680816 1317715677 /nfs/dbraw/zinc/71/56/77/1317715677.db2.gz PSOXYCXBYCBGEA-BLLLJJGKSA-N 0 3 349.862 3.271 20 10 EGCDHN Cc1nn(C)c2nc(Cl)c(CNCc3cc(C)ccc3O)cc12 ZINC000858237894 1328718707 /nfs/dbraw/zinc/71/87/07/1328718707.db2.gz RHBDFRVVNVLYTJ-UHFFFAOYSA-N 0 3 330.819 3.234 20 10 EGCDHN COc1cc(Br)cc(C[NH2+][C@H](CO)CCC(C)C)c1[O-] ZINC000858241579 1328719970 /nfs/dbraw/zinc/71/99/70/1328719970.db2.gz XYRPWVKDANRSNE-ZDUSSCGKSA-N 0 3 346.265 3.050 20 10 EGCDHN O=C(NC1CCCCC1)OC[C@@H]1CCC[N@H+]1Cc1ccccc1[O-] ZINC000809719006 1317875860 /nfs/dbraw/zinc/87/58/60/1317875860.db2.gz UNWIGVWUCLTKLW-KRWDZBQOSA-N 0 3 332.444 3.416 20 10 EGCDHN O=C(NC1CCCCC1)OC[C@@H]1CCC[N@@H+]1Cc1ccccc1[O-] ZINC000809719006 1317875864 /nfs/dbraw/zinc/87/58/64/1317875864.db2.gz UNWIGVWUCLTKLW-KRWDZBQOSA-N 0 3 332.444 3.416 20 10 EGCDHN O=C(NC1CCCCC1)OC[C@H]1CCC[N@H+]1Cc1ccccc1[O-] ZINC000809719007 1317876244 /nfs/dbraw/zinc/87/62/44/1317876244.db2.gz UNWIGVWUCLTKLW-QGZVFWFLSA-N 0 3 332.444 3.416 20 10 EGCDHN O=C(NC1CCCCC1)OC[C@H]1CCC[N@@H+]1Cc1ccccc1[O-] ZINC000809719007 1317876250 /nfs/dbraw/zinc/87/62/50/1317876250.db2.gz UNWIGVWUCLTKLW-QGZVFWFLSA-N 0 3 332.444 3.416 20 10 EGCDHN COc1cccc(CNCc2c(C(C)C)nc3sc(C)nn23)c1O ZINC000809739339 1317886210 /nfs/dbraw/zinc/88/62/10/1317886210.db2.gz HNTVVVODJIIIIR-UHFFFAOYSA-N 0 3 346.456 3.227 20 10 EGCDHN CCOc1ccc(C[NH2+]C[C@@]2(C)OCCc3sccc32)c([O-])c1 ZINC000810170152 1317967991 /nfs/dbraw/zinc/96/79/91/1317967991.db2.gz GAWBXVYXDLNERP-GOSISDBHSA-N 0 3 333.453 3.430 20 10 EGCDHN CC(C)(C(=O)NCCCSc1nccs1)N1CCCCC1 ZINC000906670537 1318135258 /nfs/dbraw/zinc/13/52/58/1318135258.db2.gz KRYGQFPCKCZTHT-UHFFFAOYSA-N 0 3 327.519 3.006 20 10 EGCDHN C[C@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2F)C1)c1cc(F)ccc1[O-] ZINC000812741108 1318447479 /nfs/dbraw/zinc/44/74/79/1318447479.db2.gz QWGHWHDWEVFTFX-WCQYABFASA-N 0 3 332.350 3.127 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](c3ccccc3)C1)[C@H](O)CO2 ZINC000814224939 1318704602 /nfs/dbraw/zinc/70/46/02/1318704602.db2.gz CHQXAVOBDQWZEC-HNAYVOBHSA-N 0 3 325.408 3.198 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](c3ccccc3)C1)[C@H](O)CO2 ZINC000814224939 1318704611 /nfs/dbraw/zinc/70/46/11/1318704611.db2.gz CHQXAVOBDQWZEC-HNAYVOBHSA-N 0 3 325.408 3.198 20 10 EGCDHN Cc1cc(CN2CCCN(c3ncccc3F)CC2)ccc1N(C)C ZINC000815099027 1318892022 /nfs/dbraw/zinc/89/20/22/1318892022.db2.gz DFOPZXAMPJBBGP-UHFFFAOYSA-N 0 3 342.462 3.307 20 10 EGCDHN Cc1cc(C)c([C@@H](C)[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)c([O-])c1 ZINC000815579962 1319020546 /nfs/dbraw/zinc/02/05/46/1319020546.db2.gz ZQNFLOWTWQNGAA-AEFFLSMTSA-N 0 3 332.488 3.303 20 10 EGCDHN CCOc1ccc(C[NH+]2CCC(CO)(c3ccccc3)CC2)c([O-])c1 ZINC000816624786 1319196418 /nfs/dbraw/zinc/19/64/18/1319196418.db2.gz HMPDGODNXATRAV-UHFFFAOYSA-N 0 3 341.451 3.317 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H](CO)CC2)c1[O-] ZINC000816666751 1319205262 /nfs/dbraw/zinc/20/52/62/1319205262.db2.gz VGFJVMZLITWNKY-GFCCVEGCSA-N 0 3 328.250 3.058 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@@H](CO)CC2)c1[O-] ZINC000816666751 1319205268 /nfs/dbraw/zinc/20/52/68/1319205268.db2.gz VGFJVMZLITWNKY-GFCCVEGCSA-N 0 3 328.250 3.058 20 10 EGCDHN COc1cccc([O-])c1C[N@@H+]1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 ZINC000817414863 1319353484 /nfs/dbraw/zinc/35/34/84/1319353484.db2.gz POCXMCRVXKAFCQ-ZIAGYGMSSA-N 0 3 335.444 3.201 20 10 EGCDHN COc1cccc([O-])c1C[N@H+]1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 ZINC000817414863 1319353491 /nfs/dbraw/zinc/35/34/91/1319353491.db2.gz POCXMCRVXKAFCQ-ZIAGYGMSSA-N 0 3 335.444 3.201 20 10 EGCDHN Cc1cc(C(=O)NCCN2CCCC2)c(C)n1-c1ccc(F)cc1 ZINC000914687780 1319363589 /nfs/dbraw/zinc/36/35/89/1319363589.db2.gz QLAKUBVSZYAUSP-UHFFFAOYSA-N 0 3 329.419 3.059 20 10 EGCDHN O=[N+]([O-])c1cc(CNC[C@@H](O)c2ccco2)ccc1N1CCCCC1 ZINC000915228300 1319449530 /nfs/dbraw/zinc/44/95/30/1319449530.db2.gz RHYMXIGYUDCFTO-QGZVFWFLSA-N 0 3 345.399 3.001 20 10 EGCDHN CCN[C@H](C)C[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000817973313 1319482953 /nfs/dbraw/zinc/48/29/53/1319482953.db2.gz TYINOIDYHDFOKQ-BDAKNGLRSA-N 0 3 335.673 3.457 20 10 EGCDHN CCn1ccnc1[C@H](C)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818341616 1319530509 /nfs/dbraw/zinc/53/05/09/1319530509.db2.gz BUPMBRVYVJDUCV-JKSUJKDBSA-N 0 3 328.460 3.089 20 10 EGCDHN Cc1nn(C)c2ncc(CNCc3ccc(N4CCCC4)cc3)cc12 ZINC000917140629 1319762261 /nfs/dbraw/zinc/76/22/61/1319762261.db2.gz VUEXFAYGHOIGBI-UHFFFAOYSA-N 0 3 335.455 3.167 20 10 EGCDHN C[C@H]1CC(=O)NCCN1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824395850 1320254157 /nfs/dbraw/zinc/25/41/57/1320254157.db2.gz KAKBLQMFTAUDCQ-HNNXBMFYSA-N 0 3 343.496 3.095 20 10 EGCDHN CCOc1cccc(CN(CCO)Cc2ccc(N(C)C)cc2)c1 ZINC000825299937 1320326096 /nfs/dbraw/zinc/32/60/96/1320326096.db2.gz SUPWWUSOLIYGER-UHFFFAOYSA-N 0 3 328.456 3.146 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCC(=O)N2CCC[C@@H]3CCCC[C@H]32)c1 ZINC000839539395 1320934763 /nfs/dbraw/zinc/93/47/63/1320934763.db2.gz MLMZZUXVFVOEHW-RLFYNMQTSA-N 0 3 346.471 3.233 20 10 EGCDHN CCCC[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)[C@@H]1CCCC[C@H]1OC ZINC000840136181 1321036585 /nfs/dbraw/zinc/03/65/85/1321036585.db2.gz YRYNMEXKDGFZAH-BHIYHBOVSA-N 0 3 349.471 3.378 20 10 EGCDHN CCCC[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)[C@@H]1CCCC[C@H]1OC ZINC000840136181 1321036589 /nfs/dbraw/zinc/03/65/89/1321036589.db2.gz YRYNMEXKDGFZAH-BHIYHBOVSA-N 0 3 349.471 3.378 20 10 EGCDHN Cc1cc(N(C)C)ccc1C[NH2+]Cc1nnc(-c2ccc(F)cc2)[n-]1 ZINC000840937751 1321180880 /nfs/dbraw/zinc/18/08/80/1321180880.db2.gz XECLPAHBNPKUQN-UHFFFAOYSA-N 0 3 339.418 3.275 20 10 EGCDHN Cc1cc(N(C)C)ccc1CNCc1nnc(-c2ccc(F)cc2)[nH]1 ZINC000840937751 1321180881 /nfs/dbraw/zinc/18/08/81/1321180881.db2.gz XECLPAHBNPKUQN-UHFFFAOYSA-N 0 3 339.418 3.275 20 10 EGCDHN CN(C)c1ccc(CN[C@H](COC(N)=O)Cc2ccccc2)cc1F ZINC000840960509 1321187156 /nfs/dbraw/zinc/18/71/56/1321187156.db2.gz IUQOTGGYUBMXNF-INIZCTEOSA-N 0 3 345.418 3.102 20 10 EGCDHN COc1cccc(CN2CCN(Cc3ccccc3)[C@@H](C)C2)c1O ZINC000840962155 1321188587 /nfs/dbraw/zinc/18/85/87/1321188587.db2.gz IQWQCUBFKARGIG-INIZCTEOSA-N 0 3 326.440 3.107 20 10 EGCDHN Cc1nn(C)c(Cl)c1CN[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840975014 1321192504 /nfs/dbraw/zinc/19/25/04/1321192504.db2.gz BJEXNRYBDHJHDG-ZDUSSCGKSA-N 0 3 334.895 3.477 20 10 EGCDHN CCN(C(=O)Nc1ccc(N)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000841295575 1321247775 /nfs/dbraw/zinc/24/77/75/1321247775.db2.gz BQPFWDZSOCQFFS-LJQANCHMSA-N 0 3 338.455 3.397 20 10 EGCDHN CC(=O)c1cc(F)cc(CN(CCC[NH3+])Cc2ccccc2)c1[O-] ZINC000843377191 1321508747 /nfs/dbraw/zinc/50/87/47/1321508747.db2.gz QPZDKRBLDFQHJX-UHFFFAOYSA-N 0 3 330.403 3.085 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCc3ccccc3NC2=O)c1[O-] ZINC000848922441 1322046231 /nfs/dbraw/zinc/04/62/31/1322046231.db2.gz SEZACYPCRJGBLT-OAHLLOKOSA-N 0 3 346.814 3.097 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)C2(CO)CC2)c1[O-] ZINC000850516546 1322259442 /nfs/dbraw/zinc/25/94/42/1322259442.db2.gz WYJPWXQOPNLIFX-QWRGUYRKSA-N 0 3 328.250 3.275 20 10 EGCDHN COC[C@@H](N[C@H](C)c1cccc(OC)c1O)c1cccc(OC)c1 ZINC000850513615 1322260140 /nfs/dbraw/zinc/26/01/40/1322260140.db2.gz HQDYTRXQBLRMEW-CXAGYDPISA-N 0 3 331.412 3.448 20 10 EGCDHN CCOc1cncc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000856767457 1325521088 /nfs/dbraw/zinc/52/10/88/1325521088.db2.gz PBAOVRKPCXMLRC-INIZCTEOSA-N 0 3 341.455 3.168 20 10 EGCDHN COC(=O)c1ccc(CNCc2cc(C)n(-c3ccccc3)c2C)[nH]1 ZINC000862527870 1329492374 /nfs/dbraw/zinc/49/23/74/1329492374.db2.gz JLXXXLYYSGFPGQ-UHFFFAOYSA-N 0 3 337.423 3.499 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+]C[C@H](n2cncn2)C(F)(F)F)c2c1c(F)ccc2[O-] ZINC000866436698 1330112213 /nfs/dbraw/zinc/11/22/13/1330112213.db2.gz QRAQOBCXZPJYPV-UISBYWKRSA-N 0 3 344.312 3.064 20 10 EGCDHN C[C@@H]([NH2+]Cc1ccnc(N2CCSCC2)c1)c1ccccc1[O-] ZINC000866472029 1330116482 /nfs/dbraw/zinc/11/64/82/1330116482.db2.gz HWXSGIBXLYUTJI-CQSZACIVSA-N 0 3 329.469 3.191 20 10 EGCDHN COc1cccc([C@H](C)NCc2ccc(Br)cn2)c1O ZINC000866572266 1330128449 /nfs/dbraw/zinc/12/84/49/1330128449.db2.gz ZQDDGJQDMORTDL-JTQLQIEISA-N 0 3 337.217 3.409 20 10 EGCDHN O=C(c1ccco1)N1CCCC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001203551519 1370167245 /nfs/dbraw/zinc/16/72/45/1370167245.db2.gz GPUZEHFFWAVHGN-UHFFFAOYSA-N 0 3 340.423 3.256 20 10 EGCDHN O=C(NCC1CC1)[C@H]1CCC2(C1)CC[NH+](Cc1ccccc1[O-])CC2 ZINC001203556365 1370168299 /nfs/dbraw/zinc/16/82/99/1370168299.db2.gz NWKXTIUORAJIBZ-KRWDZBQOSA-N 0 3 342.483 3.301 20 10 EGCDHN O=C1c2cccc(F)c2CN1[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC001203561383 1370169904 /nfs/dbraw/zinc/16/99/04/1370169904.db2.gz UCOBHWNEVFJRMJ-OAHLLOKOSA-N 0 3 340.398 3.152 20 10 EGCDHN O=C1c2cccc(F)c2CN1[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC001203561383 1370169910 /nfs/dbraw/zinc/16/99/10/1370169910.db2.gz UCOBHWNEVFJRMJ-OAHLLOKOSA-N 0 3 340.398 3.152 20 10 EGCDHN CC[N@H+](C)C1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC001203650625 1370201508 /nfs/dbraw/zinc/20/15/08/1370201508.db2.gz YKGKIIDGBPZKMR-UHFFFAOYSA-N 0 3 327.266 3.071 20 10 EGCDHN CC[N@@H+](C)C1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC001203650625 1370201512 /nfs/dbraw/zinc/20/15/12/1370201512.db2.gz YKGKIIDGBPZKMR-UHFFFAOYSA-N 0 3 327.266 3.071 20 10 EGCDHN CC[C@H]1CN(Cc2ccccc2)CCN1Cc1ccc(O)c(O)c1 ZINC001203881266 1370298462 /nfs/dbraw/zinc/29/84/62/1370298462.db2.gz OAGDJHBIHNYDEE-SFHVURJKSA-N 0 3 326.440 3.194 20 10 EGCDHN COc1cc(OC2CCN(Cc3ccc(N(C)C)cc3)CC2)ccn1 ZINC001203937251 1370322518 /nfs/dbraw/zinc/32/25/18/1370322518.db2.gz RSJGJNHCERFGTL-UHFFFAOYSA-N 0 3 341.455 3.200 20 10 EGCDHN CN(C)c1ccc(CN2C[C@@H]3OCC(F)(F)[C@@H]3C2)c2ccccc21 ZINC001204236391 1370418283 /nfs/dbraw/zinc/41/82/83/1370418283.db2.gz VGDPQUMTEDARKO-AEFFLSMTSA-N 0 3 332.394 3.372 20 10 EGCDHN CCOC(=O)CC[N@H+](Cc1ccccc1)Cc1ccc(O)cc1[O-] ZINC001204277259 1370428951 /nfs/dbraw/zinc/42/89/51/1370428951.db2.gz XEFLVOULMYYRSJ-UHFFFAOYSA-N 0 3 329.396 3.053 20 10 EGCDHN CCOC(=O)CC[N@@H+](Cc1ccccc1)Cc1ccc(O)cc1[O-] ZINC001204277259 1370428955 /nfs/dbraw/zinc/42/89/55/1370428955.db2.gz XEFLVOULMYYRSJ-UHFFFAOYSA-N 0 3 329.396 3.053 20 10 EGCDHN COC[C@H](C)[N@H+](Cc1cccc(OC)c1)Cc1ccc(O)cc1[O-] ZINC001204281528 1370431100 /nfs/dbraw/zinc/43/11/00/1370431100.db2.gz UPPIPIACMSMMFV-AWEZNQCLSA-N 0 3 331.412 3.144 20 10 EGCDHN COC[C@H](C)[N@@H+](Cc1cccc(OC)c1)Cc1ccc(O)cc1[O-] ZINC001204281528 1370431104 /nfs/dbraw/zinc/43/11/04/1370431104.db2.gz UPPIPIACMSMMFV-AWEZNQCLSA-N 0 3 331.412 3.144 20 10 EGCDHN C[C@H]1CN(Cc2ccc(N3CCCC3)cc2)CC[C@]1(O)C(F)(F)F ZINC001204325857 1370444848 /nfs/dbraw/zinc/44/48/48/1370444848.db2.gz WBKPXMQKIHDYKJ-WMLDXEAASA-N 0 3 342.405 3.422 20 10 EGCDHN c1cnc(O[C@H]2CCCN(Cc3ccc(N4CCCC4)cc3)C2)cn1 ZINC001204329371 1370445400 /nfs/dbraw/zinc/44/54/00/1370445400.db2.gz OGJUTLZJYITBFB-IBGZPJMESA-N 0 3 338.455 3.120 20 10 EGCDHN Cc1cnc(O[C@H]2CCN(Cc3ccc(N4CCCC4)cc3)C2)nc1 ZINC001204329557 1370445411 /nfs/dbraw/zinc/44/54/11/1370445411.db2.gz PUTRMFRCKDQPRP-IBGZPJMESA-N 0 3 338.455 3.039 20 10 EGCDHN COc1cc(Br)cc(CN(C)C2CC(F)(F)C2)c1O ZINC001204335919 1370447473 /nfs/dbraw/zinc/44/74/73/1370447473.db2.gz CYXBWHUJZSGFNZ-UHFFFAOYSA-N 0 3 336.176 3.393 20 10 EGCDHN C[N@H+](Cc1ccccc1)C1(CNC(=O)c2cc([O-])cs2)CCC1 ZINC001118762937 1371223296 /nfs/dbraw/zinc/22/32/96/1371223296.db2.gz HQDJLLSCXCFZTN-UHFFFAOYSA-N 0 3 330.453 3.238 20 10 EGCDHN C[N@@H+](Cc1ccccc1)C1(CNC(=O)c2cc([O-])cs2)CCC1 ZINC001118762937 1371223302 /nfs/dbraw/zinc/22/33/02/1371223302.db2.gz HQDJLLSCXCFZTN-UHFFFAOYSA-N 0 3 330.453 3.238 20 10 EGCDHN CN(Cc1ccccc1)C1(CNC(=O)C2=CC(=O)CS2)CCC1 ZINC001118762937 1371223304 /nfs/dbraw/zinc/22/33/04/1371223304.db2.gz HQDJLLSCXCFZTN-UHFFFAOYSA-N 0 3 330.453 3.238 20 10 EGCDHN COc1ccc(N2CCN(CCc3ccccc3OC)CC2)cc1 ZINC001207452661 1371399362 /nfs/dbraw/zinc/39/93/62/1371399362.db2.gz DDABOVHZRGUVAR-UHFFFAOYSA-N 0 3 326.440 3.069 20 10 EGCDHN COCCCN1CCN(c2ccc(OCc3ccccc3)cc2)CC1 ZINC001209055654 1371985627 /nfs/dbraw/zinc/98/56/27/1371985627.db2.gz AIFNRXXYLOIKIJ-UHFFFAOYSA-N 0 3 340.467 3.424 20 10 EGCDHN [O-]c1cccc(Br)c1CN1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222390402 1373833614 /nfs/dbraw/zinc/83/36/14/1373833614.db2.gz PDVFUNPQPKUTIH-MRXNPFEDSA-N 0 3 339.277 3.263 20 10 EGCDHN C[C@@H](CN1CCOCC1)OC1=CC(=O)C=CC1=N[N-]c1cccc[nH+]1 ZINC001227490268 1375437201 /nfs/dbraw/zinc/43/72/01/1375437201.db2.gz UEKONFXPAUBUKB-PXKHIBQASA-N 0 3 342.399 3.302 20 10 EGCDHN [O-]c1ccc2cc(Br)ccc2c1C[NH+]1CC2(COC2)C1 ZINC001233194070 1376584010 /nfs/dbraw/zinc/58/40/10/1376584010.db2.gz LCKPLELZEAUGCB-UHFFFAOYSA-N 0 3 334.213 3.140 20 10 EGCDHN COc1cc(Cl)cc(CN2CCC[C@@H](Oc3cccnc3)C2)c1O ZINC001233289908 1376605946 /nfs/dbraw/zinc/60/59/46/1376605946.db2.gz WYQZHPSXAXEABX-MRXNPFEDSA-N 0 3 348.830 3.493 20 10 EGCDHN COc1cc(Cl)cc(CN2CC[C@@H](Oc3cccc(C)n3)C2)c1O ZINC001233290914 1376606224 /nfs/dbraw/zinc/60/62/24/1376606224.db2.gz CTLINSBQZIIGNW-OAHLLOKOSA-N 0 3 348.830 3.411 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](COCC3CC3)C2)c1[O-] ZINC001233290738 1376606242 /nfs/dbraw/zinc/60/62/42/1376606242.db2.gz SYIKZYSJMNWSCX-CYBMUJFWSA-N 0 3 325.836 3.303 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](COCC3CC3)C2)c1[O-] ZINC001233290738 1376606245 /nfs/dbraw/zinc/60/62/45/1376606245.db2.gz SYIKZYSJMNWSCX-CYBMUJFWSA-N 0 3 325.836 3.303 20 10 EGCDHN Cc1ccc(OC2CCN(Cc3cc(O)c(O)cc3O)CC2)cc1 ZINC001233485303 1376653410 /nfs/dbraw/zinc/65/34/10/1376653410.db2.gz QEONAFMRQDKBNW-UHFFFAOYSA-N 0 3 329.396 3.155 20 10 EGCDHN COC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233727879 1376703165 /nfs/dbraw/zinc/70/31/65/1376703165.db2.gz QPKQABVRVDZNCC-ZYHUDNBSSA-N 0 3 347.333 3.064 20 10 EGCDHN COC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233727879 1376703166 /nfs/dbraw/zinc/70/31/66/1376703166.db2.gz QPKQABVRVDZNCC-ZYHUDNBSSA-N 0 3 347.333 3.064 20 10 EGCDHN [O-]c1c(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)cccc1OC(F)(F)F ZINC001233728212 1376703718 /nfs/dbraw/zinc/70/37/18/1376703718.db2.gz UKWMURMULVKZCN-AAEUAGOBSA-N 0 3 331.334 3.292 20 10 EGCDHN [O-]c1c(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)cccc1OC(F)(F)F ZINC001233728212 1376703723 /nfs/dbraw/zinc/70/37/23/1376703723.db2.gz UKWMURMULVKZCN-AAEUAGOBSA-N 0 3 331.334 3.292 20 10 EGCDHN O=C1CCC[C@H]2C[N@@H+](Cc3cccc(OC(F)(F)F)c3[O-])C[C@H]12 ZINC001233776138 1376713606 /nfs/dbraw/zinc/71/36/06/1376713606.db2.gz KTBMESHLAPSUGS-JQWIXIFHSA-N 0 3 329.318 3.092 20 10 EGCDHN O=C1CCC[C@H]2C[N@H+](Cc3cccc(OC(F)(F)F)c3[O-])C[C@H]12 ZINC001233776138 1376713619 /nfs/dbraw/zinc/71/36/19/1376713619.db2.gz KTBMESHLAPSUGS-JQWIXIFHSA-N 0 3 329.318 3.092 20 10 EGCDHN Cc1cc([O-])c(CN2CC[NH2+][C@@H](CC(C)C)C2)cc1Br ZINC001235884420 1376909247 /nfs/dbraw/zinc/90/92/47/1376909247.db2.gz IJXIAIVRYMRFDF-AWEZNQCLSA-N 0 3 341.293 3.283 20 10 EGCDHN COC1(C)CC[NH+](Cc2ccc(OCC(F)(F)F)cc2[O-])CC1 ZINC001237054236 1376971353 /nfs/dbraw/zinc/97/13/53/1376971353.db2.gz XHRYUAXWTRQBRH-UHFFFAOYSA-N 0 3 333.350 3.334 20 10 EGCDHN C[C@@]1(CO)CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])CC1 ZINC001237053723 1376972818 /nfs/dbraw/zinc/97/28/18/1376972818.db2.gz OTAMAGKKPDJCFK-MRXNPFEDSA-N 0 3 347.377 3.318 20 10 EGCDHN C[C@@]1(CO)CCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])CC1 ZINC001237053723 1376972837 /nfs/dbraw/zinc/97/28/37/1376972837.db2.gz OTAMAGKKPDJCFK-MRXNPFEDSA-N 0 3 347.377 3.318 20 10 EGCDHN COC(=O)Cc1ccc(C[N@H+]2CC=C(c3ccccc3)CC2)c([O-])c1 ZINC001249207298 1377072721 /nfs/dbraw/zinc/07/27/21/1377072721.db2.gz AVTVILXESDERIH-UHFFFAOYSA-N 0 3 337.419 3.397 20 10 EGCDHN COC(=O)Cc1ccc(C[N@@H+]2CC=C(c3ccccc3)CC2)c([O-])c1 ZINC001249207298 1377072727 /nfs/dbraw/zinc/07/27/27/1377072727.db2.gz AVTVILXESDERIH-UHFFFAOYSA-N 0 3 337.419 3.397 20 10 EGCDHN CCN(CC)c1ccc(CN2C[C@H](C)C[C@@H](C(=O)OC)C2)c(OC)c1 ZINC001138390188 1377714215 /nfs/dbraw/zinc/71/42/15/1377714215.db2.gz OXAFSVZDWCHEKN-NVXWUHKLSA-N 0 3 348.487 3.172 20 10 EGCDHN CCN(CC)c1ccc(CN(CCC(=O)OC)C2CC2)c(OC)c1 ZINC001138392289 1377715479 /nfs/dbraw/zinc/71/54/79/1377715479.db2.gz UPCODQDVVXJXFX-UHFFFAOYSA-N 0 3 334.460 3.069 20 10 EGCDHN C[C@H]1CCN(Cc2ccc(N3CCOCC3)c(Br)c2)C1 ZINC001138676484 1377766269 /nfs/dbraw/zinc/76/62/69/1377766269.db2.gz LEWXIWKPPAYCSY-ZDUSSCGKSA-N 0 3 339.277 3.128 20 10 EGCDHN Cc1ccc2nc(C3CC[NH+](Cc4cc(F)ccc4[O-])CC3)nn2c1 ZINC001140053933 1377996924 /nfs/dbraw/zinc/99/69/24/1377996924.db2.gz FOIMFUPPPLSKQR-UHFFFAOYSA-N 0 3 340.402 3.262 20 10 EGCDHN CC(C)(C)OC(=O)N[C@]1(C)CCCN(Cc2cc(F)ccc2O)C1 ZINC001140058058 1377998283 /nfs/dbraw/zinc/99/82/83/1377998283.db2.gz RFJLGASYWCDZMG-GOSISDBHSA-N 0 3 338.423 3.411 20 10 EGCDHN CC(C)(C)OC(=O)N[C@@]1(C)CCCN(Cc2cc(F)ccc2O)C1 ZINC001140058059 1377998309 /nfs/dbraw/zinc/99/83/09/1377998309.db2.gz RFJLGASYWCDZMG-SFHVURJKSA-N 0 3 338.423 3.411 20 10 EGCDHN COc1ccc(CN2CCN(Cc3c(C)ccc(C)c3O)CC2)cc1 ZINC001140180620 1378027158 /nfs/dbraw/zinc/02/71/58/1378027158.db2.gz ZTUDSPFUNWULPX-UHFFFAOYSA-N 0 3 340.467 3.335 20 10 EGCDHN CO[C@H](CN1CCN(Cc2cc(C)ccc2O)CC1)c1ccccc1 ZINC001140623784 1378100460 /nfs/dbraw/zinc/10/04/60/1378100460.db2.gz RLVGXPYOEGWVJN-OAQYLSRUSA-N 0 3 340.467 3.206 20 10 EGCDHN Cc1ccc(C[NH+]2CCC3(C[C@H](OCC4CC4)CO3)CC2)c([O-])c1 ZINC001140952370 1378190036 /nfs/dbraw/zinc/19/00/36/1378190036.db2.gz PHKZFHJMARPDIB-SFHVURJKSA-N 0 3 331.456 3.251 20 10 EGCDHN COc1cc(CN(C)Cc2ccc(C)cc2O)cc(OC)c1OC ZINC001140950685 1378190731 /nfs/dbraw/zinc/19/07/31/1378190731.db2.gz CMWANGXZZZPGRS-UHFFFAOYSA-N 0 3 331.412 3.358 20 10 EGCDHN CCN(Cc1cccc(OC)c1)Cc1c(O)cc(OC)cc1OC ZINC001141029548 1378213421 /nfs/dbraw/zinc/21/34/21/1378213421.db2.gz VMVRDHSIBIOSBT-UHFFFAOYSA-N 0 3 331.412 3.440 20 10 EGCDHN C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@@H]1O ZINC001181506023 1387006958 /nfs/dbraw/zinc/00/69/58/1387006958.db2.gz NBOMIIGNYIJETB-QRWLVFNGSA-N 0 3 327.424 3.174 20 10 EGCDHN C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@@H]1O ZINC001181506023 1387006966 /nfs/dbraw/zinc/00/69/66/1387006966.db2.gz NBOMIIGNYIJETB-QRWLVFNGSA-N 0 3 327.424 3.174 20 10 EGCDHN COc1ccc(CNC2(CNC(=O)[C@H]3CC34CCCC4)CC2)cc1C ZINC001754530738 1440622341 /nfs/dbraw/zinc/62/23/41/1440622341.db2.gz CUGFFHWEZPHWNJ-QGZVFWFLSA-N 0 3 342.483 3.322 20 10 EGCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)c1ccc(Br)cc1 ZINC000264593631 455244481 /nfs/dbraw/zinc/24/44/81/455244481.db2.gz HMYOMQYTVZCEJN-INIZCTEOSA-N 0 3 336.229 3.320 20 10 EGCDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)c1ccc(Br)cc1 ZINC000264593631 455244488 /nfs/dbraw/zinc/24/44/88/455244488.db2.gz HMYOMQYTVZCEJN-INIZCTEOSA-N 0 3 336.229 3.320 20 10 EGCDHN C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000183251260 455261629 /nfs/dbraw/zinc/26/16/29/455261629.db2.gz QLZRGPXKRGBVFE-ZDUSSCGKSA-N 0 3 326.375 3.305 20 10 EGCDHN C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000183251260 455261634 /nfs/dbraw/zinc/26/16/34/455261634.db2.gz QLZRGPXKRGBVFE-ZDUSSCGKSA-N 0 3 326.375 3.305 20 10 EGCDHN CCOC(=O)C1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000158072775 455265897 /nfs/dbraw/zinc/26/58/97/455265897.db2.gz SXQXUXTWCNDNRR-UHFFFAOYSA-N 0 3 330.472 3.452 20 10 EGCDHN COc1cc([O-])c(C[NH2+]CCc2c[nH]c3ccccc23)cc1OC ZINC000181478916 455340737 /nfs/dbraw/zinc/34/07/37/455340737.db2.gz QMGCAAPPFNTAHM-UHFFFAOYSA-N 0 3 326.396 3.223 20 10 EGCDHN CCN(Cc1ccc(OC)c(OC)c1)Cc1cccc(OC)c1O ZINC000120302076 454283807 /nfs/dbraw/zinc/28/38/07/454283807.db2.gz FCHRPLLKLGIFLR-UHFFFAOYSA-N 0 3 331.412 3.440 20 10 EGCDHN [O-]c1ccccc1C[N@@H+](Cc1ccc2c[nH]nc2c1)C[C@@H]1CCCO1 ZINC000160175082 455435369 /nfs/dbraw/zinc/43/53/69/455435369.db2.gz MYAXQOMNVHCYLQ-SFHVURJKSA-N 0 3 337.423 3.450 20 10 EGCDHN [O-]c1ccccc1C[N@H+](Cc1ccc2c[nH]nc2c1)C[C@@H]1CCCO1 ZINC000160175082 455435373 /nfs/dbraw/zinc/43/53/73/455435373.db2.gz MYAXQOMNVHCYLQ-SFHVURJKSA-N 0 3 337.423 3.450 20 10 EGCDHN CCCOc1ccc(C[N@@H+]2CCC[C@H](c3nc(C)no3)C2)c([O-])c1 ZINC000091833049 454478335 /nfs/dbraw/zinc/47/83/35/454478335.db2.gz XTYUEGQBXCIWNQ-HNNXBMFYSA-N 0 3 331.416 3.252 20 10 EGCDHN CCCOc1ccc(C[N@H+]2CCC[C@H](c3nc(C)no3)C2)c([O-])c1 ZINC000091833049 454478338 /nfs/dbraw/zinc/47/83/38/454478338.db2.gz XTYUEGQBXCIWNQ-HNNXBMFYSA-N 0 3 331.416 3.252 20 10 EGCDHN Cc1ccc(NC(=O)C2CC[NH+](Cc3cc(C)ccc3[O-])CC2)nc1 ZINC000092002875 454501937 /nfs/dbraw/zinc/50/19/37/454501937.db2.gz YLHOPXTZSYOPOY-UHFFFAOYSA-N 0 3 339.439 3.255 20 10 EGCDHN c1ccc2c(c1)C=C(CNCc1ccc(N3CCOCC3)cc1)CO2 ZINC000102424082 454505074 /nfs/dbraw/zinc/50/50/74/454505074.db2.gz PKNYFGYKTADXND-UHFFFAOYSA-N 0 3 336.435 3.089 20 10 EGCDHN CCCOc1ccc(C[NH+]2CCC(Cn3cccn3)CC2)c([O-])c1 ZINC000122104029 454508914 /nfs/dbraw/zinc/50/89/14/454508914.db2.gz GTGMBQRXNJZFPR-UHFFFAOYSA-N 0 3 329.444 3.290 20 10 EGCDHN Cc1cc(C(=O)NC2CC[NH+](Cc3cc(C)ccc3[O-])CC2)c(C)o1 ZINC000093009561 454669666 /nfs/dbraw/zinc/66/96/66/454669666.db2.gz CZDVPYRMPYFQQY-UHFFFAOYSA-N 0 3 342.439 3.305 20 10 EGCDHN CCOc1ccc(O)c(CN[C@@H](C[S@@](C)=O)c2ccccc2)c1 ZINC000154740145 454925509 /nfs/dbraw/zinc/92/55/09/454925509.db2.gz QANFGVUIJNIZEB-SBUREZEXSA-N 0 3 333.453 3.000 20 10 EGCDHN CCOc1ncccc1CNC1CCN(c2ccc(OC)cc2)CC1 ZINC000151195156 454951263 /nfs/dbraw/zinc/95/12/63/454951263.db2.gz WHMXHPVLOAPWPE-UHFFFAOYSA-N 0 3 341.455 3.248 20 10 EGCDHN Cc1nn(C)cc1[C@H](C)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000178723480 454970049 /nfs/dbraw/zinc/97/00/49/454970049.db2.gz JRMIGQRUSPVGEF-KBPBESRZSA-N 0 3 346.450 3.116 20 10 EGCDHN Cc1cccc(CN2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c1O ZINC000179928614 455100574 /nfs/dbraw/zinc/10/05/74/455100574.db2.gz HUSHIHZMFQTPOE-KRWDZBQOSA-N 0 3 343.402 3.236 20 10 EGCDHN Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c1[O-] ZINC000179928614 455100579 /nfs/dbraw/zinc/10/05/79/455100579.db2.gz HUSHIHZMFQTPOE-KRWDZBQOSA-N 0 3 343.402 3.236 20 10 EGCDHN Cc1cccc(C[N@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c1[O-] ZINC000179928614 455100581 /nfs/dbraw/zinc/10/05/81/455100581.db2.gz HUSHIHZMFQTPOE-KRWDZBQOSA-N 0 3 343.402 3.236 20 10 EGCDHN COC[C@@H](NC1CCN(c2ccc(OC)cc2)CC1)c1ccco1 ZINC000156628134 455139787 /nfs/dbraw/zinc/13/97/87/455139787.db2.gz YQRMIFRQNHOGBA-GOSISDBHSA-N 0 3 330.428 3.234 20 10 EGCDHN Cc1ccc([O-])c(C[NH2+]CC2=CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000189484966 455204090 /nfs/dbraw/zinc/20/40/90/455204090.db2.gz IKQPTPQHYRYAJE-UHFFFAOYSA-N 0 3 332.444 3.357 20 10 EGCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000183440095 455292475 /nfs/dbraw/zinc/29/24/75/455292475.db2.gz WYVHBKLCQILMMX-KGLIPLIRSA-N 0 3 348.468 3.054 20 10 EGCDHN C[C@@H](C[S@](C)=O)N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000184296363 455368803 /nfs/dbraw/zinc/36/88/03/455368803.db2.gz CCKHHJNUSHVWFG-OKHZJLECSA-N 0 3 326.481 3.234 20 10 EGCDHN COc1ccccc1C(C)(C)NCc1cc(OC)c(OC)cc1O ZINC000182153125 455447290 /nfs/dbraw/zinc/44/72/90/455447290.db2.gz QBAHNYYOPKZLTE-UHFFFAOYSA-N 0 3 331.412 3.443 20 10 EGCDHN COc1cc(O)c(CN2CC[C@]3(C2)OCc2ccccc23)cc1OC ZINC000184813712 455451979 /nfs/dbraw/zinc/45/19/79/455451979.db2.gz RAVXBPJBOYAIEE-HXUWFJFHSA-N 0 3 341.407 3.041 20 10 EGCDHN Cc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(C)cc2[O-])N2CCOCC2)o1 ZINC000184909644 455470426 /nfs/dbraw/zinc/47/04/26/455470426.db2.gz MSCDSUYEOBFDCU-SJLPKXTDSA-N 0 3 344.455 3.326 20 10 EGCDHN Cc1ccc([C@@H](C[NH2+][C@H](C)c2cc(C)ccc2[O-])N2CCOCC2)o1 ZINC000184909316 455470803 /nfs/dbraw/zinc/47/08/03/455470803.db2.gz BCYYTFGLAJCHQK-SJLPKXTDSA-N 0 3 344.455 3.326 20 10 EGCDHN Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cn1 ZINC000185084598 455498590 /nfs/dbraw/zinc/49/85/90/455498590.db2.gz TZMIXFNLCDFZMH-LBPRGKRZSA-N 0 3 326.375 3.271 20 10 EGCDHN COc1cccc(C[NH2+]C[C@@](C)(Cc2ccccc2)[C@H](C)O)c1[O-] ZINC000191712947 455511808 /nfs/dbraw/zinc/51/18/08/455511808.db2.gz LANNVQVLPGEHJL-MGPUTAFESA-N 0 3 329.440 3.120 20 10 EGCDHN Cc1ccc(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c([O-])c1O ZINC000182446044 455515690 /nfs/dbraw/zinc/51/56/90/455515690.db2.gz CVAXFLNCPIHJFH-HOTGVXAUSA-N 0 3 346.471 3.133 20 10 EGCDHN Cc1ccc(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c([O-])c1O ZINC000182446044 455515693 /nfs/dbraw/zinc/51/56/93/455515693.db2.gz CVAXFLNCPIHJFH-HOTGVXAUSA-N 0 3 346.471 3.133 20 10 EGCDHN C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1)c1ccccc1[O-] ZINC000191836071 455524708 /nfs/dbraw/zinc/52/47/08/455524708.db2.gz USUNDLOVQRIQNW-HKUYNNGSSA-N 0 3 340.467 3.334 20 10 EGCDHN CCN1CCN(c2cccc(NCc3cc(C)ccc3O)c2)CC1 ZINC000191885735 455528959 /nfs/dbraw/zinc/52/89/59/455528959.db2.gz KGBOQCIXGSKHCS-UHFFFAOYSA-N 0 3 325.456 3.455 20 10 EGCDHN CCOCCCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2[O-])[C@H](C)C1 ZINC000185461185 455561447 /nfs/dbraw/zinc/56/14/47/455561447.db2.gz CJRIKSOQYPFCCS-RVKKMQEKSA-N 0 3 338.467 3.319 20 10 EGCDHN C[C@@H]([NH2+][C@H](CO)Cc1c[nH]c2ccccc12)c1cc(F)ccc1[O-] ZINC000185464943 455561829 /nfs/dbraw/zinc/56/18/29/455561829.db2.gz JCWOVQAOJUIJLA-DOMZBBRYSA-N 0 3 328.387 3.267 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCc2nc3cc(F)ccc3n2C)c1 ZINC000186061016 455686211 /nfs/dbraw/zinc/68/62/11/455686211.db2.gz ZKECCXVDPYSXKW-LBPRGKRZSA-N 0 3 343.402 3.320 20 10 EGCDHN CCO[C@H]1C[C@H]([NH2+]Cc2cc(OC)ccc2[O-])[C@@H]1Oc1ccccc1 ZINC000186275888 455731452 /nfs/dbraw/zinc/73/14/52/455731452.db2.gz YXAAUUOPCRTQFR-IHPCNDPISA-N 0 3 343.423 3.115 20 10 EGCDHN CCS(=O)(=O)c1ccc(CN[C@H](C)c2cc(C)ccc2O)cc1 ZINC000186372815 455753768 /nfs/dbraw/zinc/75/37/68/455753768.db2.gz SZHJNAZXYVCRIS-CQSZACIVSA-N 0 3 333.453 3.345 20 10 EGCDHN CC[C@@H]([NH2+]Cc1cc(OC)ccc1[O-])[C@H](O)c1c(F)cccc1F ZINC000271792756 455762210 /nfs/dbraw/zinc/76/22/10/455762210.db2.gz HEADBLUGWKLYPK-QAPCUYQASA-N 0 3 337.366 3.281 20 10 EGCDHN CC(=O)NCCC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000293744488 455796350 /nfs/dbraw/zinc/79/63/50/455796350.db2.gz NTILYXCYVNMFQN-LJQANCHMSA-N 0 3 326.440 3.182 20 10 EGCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](O)COc2ccc(F)cc2)c([O-])c1 ZINC000293787622 455797241 /nfs/dbraw/zinc/79/72/41/455797241.db2.gz QLBBSERQZHGUPB-ZBFHGGJFSA-N 0 3 333.403 3.239 20 10 EGCDHN COCCOCCN(Cc1ccccc1)Cc1cc(OC)ccc1O ZINC000271883567 455798071 /nfs/dbraw/zinc/79/80/71/455798071.db2.gz VPCQECVULVJKBB-UHFFFAOYSA-N 0 3 345.439 3.066 20 10 EGCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186593935 455800770 /nfs/dbraw/zinc/80/07/70/455800770.db2.gz DVRJOLQLMTVPPS-UHFFFAOYSA-N 0 3 333.378 3.240 20 10 EGCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CCCOCCO ZINC000294322200 455811482 /nfs/dbraw/zinc/81/14/82/455811482.db2.gz OKYHFEZFGRXDEW-IBGZPJMESA-N 0 3 329.440 3.055 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1 ZINC000294772719 455828088 /nfs/dbraw/zinc/82/80/88/455828088.db2.gz KGYBOFVXKSYBKC-UONOGXRCSA-N 0 3 334.460 3.075 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[N@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1 ZINC000294772719 455828091 /nfs/dbraw/zinc/82/80/91/455828091.db2.gz KGYBOFVXKSYBKC-UONOGXRCSA-N 0 3 334.460 3.075 20 10 EGCDHN Cc1nccn1CCC[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000272058202 455835204 /nfs/dbraw/zinc/83/52/04/455835204.db2.gz RNRDPZBDPFZDTP-UHFFFAOYSA-N 0 3 338.249 3.148 20 10 EGCDHN CN(Cc1cccs1)c1ccc(CNCC(=O)NCC2CC2)cc1 ZINC000295459055 455850117 /nfs/dbraw/zinc/85/01/17/455850117.db2.gz QSFSJUGKTDQOIW-UHFFFAOYSA-N 0 3 343.496 3.000 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C2CCN(C)CC2)c1[O-] ZINC000186946884 455855000 /nfs/dbraw/zinc/85/50/00/455855000.db2.gz KZWGUOCSJOCCDI-NSHDSACASA-N 0 3 327.266 3.208 20 10 EGCDHN [O-]c1cccc2c1[C@H]([NH2+]Cc1ccc(N3CCOCC3)c(F)c1)CC2 ZINC000296086695 455868461 /nfs/dbraw/zinc/86/84/61/455868461.db2.gz SWYRFNZMBVLZJQ-QGZVFWFLSA-N 0 3 342.414 3.145 20 10 EGCDHN CCOc1cccc(CN[C@@H](C)c2ccc([S@](C)=O)cc2)c1O ZINC000270208055 455902275 /nfs/dbraw/zinc/90/22/75/455902275.db2.gz ZTZCXMFNPTWWSD-NPMABZOXSA-N 0 3 333.453 3.379 20 10 EGCDHN C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1cc(Br)ccc1[O-] ZINC000296419303 455933175 /nfs/dbraw/zinc/93/31/75/455933175.db2.gz LGPAEMGLQMQJQD-NDNKKMJESA-N 0 3 339.277 3.431 20 10 EGCDHN [O-]c1ccc(F)cc1C[NH2+]CCCOCCOCc1ccccc1 ZINC000272471452 455962507 /nfs/dbraw/zinc/96/25/07/455962507.db2.gz AGXLQUIKROOFBR-UHFFFAOYSA-N 0 3 333.403 3.244 20 10 EGCDHN CC[NH+](CC)CCOc1ccccc1NC(=O)c1cccc(O)c1[O-] ZINC000188200682 456019802 /nfs/dbraw/zinc/01/98/02/456019802.db2.gz DLPGUMLARDYPIH-UHFFFAOYSA-N 0 3 344.411 3.071 20 10 EGCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1 ZINC000272693288 456042508 /nfs/dbraw/zinc/04/25/08/456042508.db2.gz XHYRWLFMDCDHJE-LSDHHAIUSA-N 0 3 334.460 3.436 20 10 EGCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1 ZINC000272693288 456042512 /nfs/dbraw/zinc/04/25/12/456042512.db2.gz XHYRWLFMDCDHJE-LSDHHAIUSA-N 0 3 334.460 3.436 20 10 EGCDHN CN(Cc1cccs1)c1ccc(CN[C@@]2(CCO)CCOC2)cc1 ZINC000296820814 456045716 /nfs/dbraw/zinc/04/57/16/456045716.db2.gz NIIGAFHSZOQCQM-IBGZPJMESA-N 0 3 346.496 3.016 20 10 EGCDHN CC(C)C[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)C(=O)Nc1nccs1 ZINC000296833361 456048568 /nfs/dbraw/zinc/04/85/68/456048568.db2.gz MRQNSJDCDSUKJL-KBPBESRZSA-N 0 3 345.468 3.479 20 10 EGCDHN CN(C(=O)[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1)c1ccccc1 ZINC000280903988 456077622 /nfs/dbraw/zinc/07/76/22/456077622.db2.gz FQADEUDSEGWPNH-AWEZNQCLSA-N 0 3 328.387 3.016 20 10 EGCDHN CN(C(=O)[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1)c1ccccc1 ZINC000280903988 456077623 /nfs/dbraw/zinc/07/76/23/456077623.db2.gz FQADEUDSEGWPNH-AWEZNQCLSA-N 0 3 328.387 3.016 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC2CCN(CC(F)(F)F)CC2)c1 ZINC000188525109 456078930 /nfs/dbraw/zinc/07/89/30/456078930.db2.gz USUDADQOWAODRQ-GFCCVEGCSA-N 0 3 346.393 3.326 20 10 EGCDHN CCN(C)C(=O)[C@@H](C)NCc1ccc(N(C)Cc2cccs2)cc1 ZINC000296977065 456081003 /nfs/dbraw/zinc/08/10/03/456081003.db2.gz VCNDCMGVSSUDGK-OAHLLOKOSA-N 0 3 345.512 3.341 20 10 EGCDHN C[C@@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1[O-] ZINC000272868731 456096435 /nfs/dbraw/zinc/09/64/35/456096435.db2.gz OGMFDQYTRMNDGT-UONOGXRCSA-N 0 3 348.468 3.054 20 10 EGCDHN COC[C@@]1(C[NH2+][C@H](C)c2cc(F)ccc2[O-])OCCc2ccccc21 ZINC000289802782 456142731 /nfs/dbraw/zinc/14/27/31/456142731.db2.gz OBFDESDAVJQSMA-JLTOFOAXSA-N 0 3 345.414 3.297 20 10 EGCDHN COc1ccc(O)c(CNCc2ccncc2OCC(F)(F)F)c1 ZINC000281263086 456183065 /nfs/dbraw/zinc/18/30/65/456183065.db2.gz NGPVTDOLSWMPQE-UHFFFAOYSA-N 0 3 342.317 3.027 20 10 EGCDHN Cc1cc(CNCc2ccc(N(C)C)c(F)c2)cc(N2CCCC2)n1 ZINC000289943820 456191131 /nfs/dbraw/zinc/19/11/31/456191131.db2.gz XAJOFBVXVYXKDG-UHFFFAOYSA-N 0 3 342.462 3.485 20 10 EGCDHN Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000273349384 456223825 /nfs/dbraw/zinc/22/38/25/456223825.db2.gz BHVHBYJQSNKXLG-HNNXBMFYSA-N 0 3 330.428 3.381 20 10 EGCDHN C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1)c1cc(F)ccc1[O-] ZINC000273514686 456235718 /nfs/dbraw/zinc/23/57/18/456235718.db2.gz SFLWKUQUQLKPMN-CZUORRHYSA-N 0 3 344.434 3.240 20 10 EGCDHN Cc1cccc(C[N@@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)c1[O-] ZINC000290190974 456262955 /nfs/dbraw/zinc/26/29/55/456262955.db2.gz ORVYLFACSJKSJI-FQEVSTJZSA-N 0 3 329.415 3.267 20 10 EGCDHN Cc1cccc(C[N@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)c1[O-] ZINC000290190974 456262958 /nfs/dbraw/zinc/26/29/58/456262958.db2.gz ORVYLFACSJKSJI-FQEVSTJZSA-N 0 3 329.415 3.267 20 10 EGCDHN C[C@H](N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1)C(=O)N1CCCC1 ZINC000281745193 456308273 /nfs/dbraw/zinc/30/82/73/456308273.db2.gz VSPUSZIEGQYYFK-HOTGVXAUSA-N 0 3 347.478 3.478 20 10 EGCDHN CCN(C)c1ccc([C@H](C)N[C@H]2COc3ccccc3[C@@H]2O)cc1 ZINC000290385496 456313077 /nfs/dbraw/zinc/31/30/77/456313077.db2.gz RXPFGXATUDLVIL-DCPHZVHLSA-N 0 3 326.440 3.288 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+][C@@]2(CO)CCCc3ccccc32)c1[O-] ZINC000282411605 456505890 /nfs/dbraw/zinc/50/58/90/456505890.db2.gz SEPVNASGEKMOCQ-LJQANCHMSA-N 0 3 347.842 3.368 20 10 EGCDHN COc1ccc([C@H](O)C2CC[NH+](Cc3ccccc3[O-])CC2)cc1 ZINC000291155943 456548547 /nfs/dbraw/zinc/54/85/47/456548547.db2.gz BWTIUVWKNFYHGI-FQEVSTJZSA-N 0 3 327.424 3.346 20 10 EGCDHN COc1cccc(C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)c1[O-] ZINC000291160940 456550633 /nfs/dbraw/zinc/55/06/33/456550633.db2.gz CKFAYRHGUICWTR-OAQYLSRUSA-N 0 3 341.451 3.218 20 10 EGCDHN COc1cccc(C[N@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)c1[O-] ZINC000291160940 456550640 /nfs/dbraw/zinc/55/06/40/456550640.db2.gz CKFAYRHGUICWTR-OAQYLSRUSA-N 0 3 341.451 3.218 20 10 EGCDHN Cc1nn(-c2ccccn2)c(C)c1CNCc1ccc(N(C)C)cc1 ZINC000282692001 456593158 /nfs/dbraw/zinc/59/31/58/456593158.db2.gz PKENXRCCPZUKQZ-UHFFFAOYSA-N 0 3 335.455 3.240 20 10 EGCDHN COc1cccc(C[NH+]2CCC(N3CCc4ccccc43)CC2)c1[O-] ZINC000282743319 456611004 /nfs/dbraw/zinc/61/10/04/456611004.db2.gz NJLHMCKDJWAAQG-UHFFFAOYSA-N 0 3 338.451 3.428 20 10 EGCDHN COc1cccc(CN2CCC(N3CCc4ccccc43)CC2)c1O ZINC000282743319 456611009 /nfs/dbraw/zinc/61/10/09/456611009.db2.gz NJLHMCKDJWAAQG-UHFFFAOYSA-N 0 3 338.451 3.428 20 10 EGCDHN COCC[C@@H]1COCCN1Cc1cc(-c2ccccc2)ccc1O ZINC000291359729 456618547 /nfs/dbraw/zinc/61/85/47/456618547.db2.gz YDGMSKONKVSQPY-LJQANCHMSA-N 0 3 327.424 3.297 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)c1[O-] ZINC000291626378 456699289 /nfs/dbraw/zinc/69/92/89/456699289.db2.gz RYUYNCIDZZWKML-VQIMIIECSA-N 0 3 347.842 3.310 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CCO1 ZINC000378428588 457395133 /nfs/dbraw/zinc/39/51/33/457395133.db2.gz JPYSPPGYXNSPDT-XOKHGSTOSA-N 0 3 338.879 3.167 20 10 EGCDHN CCN(CC)c1ccc(CN2CCOC3(CCOCC3)CC2)cc1 ZINC000364238462 457540767 /nfs/dbraw/zinc/54/07/67/457540767.db2.gz RPDYWRYYMJYXBV-UHFFFAOYSA-N 0 3 332.488 3.304 20 10 EGCDHN C[C@H]([NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@@H]1CCOC1 ZINC000366298879 457805184 /nfs/dbraw/zinc/80/51/84/457805184.db2.gz KTGQJETXSJXBEF-VBQJREDUSA-N 0 3 338.879 3.025 20 10 EGCDHN CC[C@@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1ccc(C)cc1[O-] ZINC000366420913 457810747 /nfs/dbraw/zinc/81/07/47/457810747.db2.gz XRYIAEJUZHWMAQ-IAGOWNOFSA-N 0 3 329.444 3.008 20 10 EGCDHN CC(=O)c1cc(F)cc(CN2CCC(c3c[nH]nc3C)CC2)c1O ZINC000375350457 457892287 /nfs/dbraw/zinc/89/22/87/457892287.db2.gz WIBIZPBIAKLGBT-UHFFFAOYSA-N 0 3 331.391 3.145 20 10 EGCDHN C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2cc(Br)ccc2[O-])C1 ZINC000368131635 458014839 /nfs/dbraw/zinc/01/48/39/458014839.db2.gz AXWPYUDAGGQHLK-IUODEOHRSA-N 0 3 339.277 3.071 20 10 EGCDHN C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2cc(Br)ccc2[O-])C1 ZINC000368131635 458014840 /nfs/dbraw/zinc/01/48/40/458014840.db2.gz AXWPYUDAGGQHLK-IUODEOHRSA-N 0 3 339.277 3.071 20 10 EGCDHN C[C@@H]1OCC[C@@]12C[N@H+](Cc1c([O-])ccc3ccccc31)C[C@@H](C)O2 ZINC000369383694 458197508 /nfs/dbraw/zinc/19/75/08/458197508.db2.gz NAFKJPKAMBNHEI-QEEYODRMSA-N 0 3 327.424 3.314 20 10 EGCDHN C[C@@H]1OCC[C@@]12C[N@@H+](Cc1c([O-])ccc3ccccc31)C[C@@H](C)O2 ZINC000369383694 458197512 /nfs/dbraw/zinc/19/75/12/458197512.db2.gz NAFKJPKAMBNHEI-QEEYODRMSA-N 0 3 327.424 3.314 20 10 EGCDHN CCn1nncc1C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000527919300 459772244 /nfs/dbraw/zinc/77/22/44/459772244.db2.gz GYZMSNUOKNOSKI-LJQANCHMSA-N 0 3 336.439 3.467 20 10 EGCDHN CCOc1cccc(N2CCN(Cc3cc(C)c(C)cc3O)CC2)n1 ZINC000730259200 574963507 /nfs/dbraw/zinc/96/35/07/574963507.db2.gz PWLUWVYEIXEWRJ-UHFFFAOYSA-N 0 3 341.455 3.125 20 10 EGCDHN O=[N+]([O-])c1cc(CNCCOCC2CC2)ccc1N1CCCCC1 ZINC000731041069 575046067 /nfs/dbraw/zinc/04/60/67/575046067.db2.gz OTQDHJAFPXOGCV-UHFFFAOYSA-N 0 3 333.432 3.101 20 10 EGCDHN CC[NH+](CC)[C@H](CNC(=O)c1cc([O-])cs1)Cc1ccccc1 ZINC000731868848 575216603 /nfs/dbraw/zinc/21/66/03/575216603.db2.gz ZVFVKMGDCZDNEG-HNNXBMFYSA-N 0 3 332.469 3.137 20 10 EGCDHN COc1ccc(CNCc2ccc(N3CCOCC3)cc2)cc1Cl ZINC000742368059 576774247 /nfs/dbraw/zinc/77/42/47/576774247.db2.gz RHMSSAYHSQOZJR-UHFFFAOYSA-N 0 3 346.858 3.475 20 10 EGCDHN C[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@]1(C)CO ZINC000827699612 1292357497 /nfs/dbraw/zinc/35/74/97/1292357497.db2.gz JQVMVKXNMXLOLI-HRAATJIYSA-N 0 3 341.451 3.422 20 10 EGCDHN C[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@]1(C)CO ZINC000827699612 1292357508 /nfs/dbraw/zinc/35/75/08/1292357508.db2.gz JQVMVKXNMXLOLI-HRAATJIYSA-N 0 3 341.451 3.422 20 10 EGCDHN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000827951392 1292411543 /nfs/dbraw/zinc/41/15/43/1292411543.db2.gz YMOGAGMMUMYHNM-ZDUSSCGKSA-N 0 3 326.843 3.396 20 10 EGCDHN CCn1nccc1CNCc1ccc(OCc2ccccc2)cc1O ZINC000827955202 1292411750 /nfs/dbraw/zinc/41/17/50/1292411750.db2.gz AYPYLVQUJPFFDN-UHFFFAOYSA-N 0 3 337.423 3.477 20 10 EGCDHN CCn1nccc1C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000827955202 1292411754 /nfs/dbraw/zinc/41/17/54/1292411754.db2.gz AYPYLVQUJPFFDN-UHFFFAOYSA-N 0 3 337.423 3.477 20 10 EGCDHN O=C1[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCCN1Cc1ccccc1 ZINC000834692438 1293132712 /nfs/dbraw/zinc/13/27/12/1293132712.db2.gz BIBGNEWJZFZMBY-QZTJIDSGSA-N 0 3 336.435 3.160 20 10 EGCDHN Cc1n[nH]c(C)c1C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000113359238 1293148044 /nfs/dbraw/zinc/14/80/44/1293148044.db2.gz OAXOZMUOIVWEPP-INIZCTEOSA-N 0 3 348.878 3.140 20 10 EGCDHN CN(C)CC(C)(C)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000835070609 1293200004 /nfs/dbraw/zinc/20/00/04/1293200004.db2.gz UEUNUOYHAMJOSB-UHFFFAOYSA-N 0 3 328.456 3.401 20 10 EGCDHN C[C@H](NCC(=O)N1CCCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000177982224 1294707725 /nfs/dbraw/zinc/70/77/25/1294707725.db2.gz KZPMIEFPHRJNLO-INIZCTEOSA-N 0 3 337.467 3.383 20 10 EGCDHN COC(=O)c1ccc(CN[C@@H](C)c2cc(OC)ccc2O)cc1F ZINC000182348624 1295039164 /nfs/dbraw/zinc/03/91/64/1295039164.db2.gz ZBWMFKDFSCZNQN-NSHDSACASA-N 0 3 333.359 3.177 20 10 EGCDHN O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(O)c1[O-] ZINC000186799685 1295350981 /nfs/dbraw/zinc/35/09/81/1295350981.db2.gz GNDXYRDRHMNXPI-UHFFFAOYSA-N 0 3 340.423 3.014 20 10 EGCDHN CC(C)(CN1CCCC1)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000308642928 1297071458 /nfs/dbraw/zinc/07/14/58/1297071458.db2.gz ZSIFLMLMCXPRQO-UHFFFAOYSA-N 0 3 327.266 3.119 20 10 EGCDHN COc1ccc(CN[C@H]2CCc3c2cccc3O)cc1Cn1cccn1 ZINC000873046475 1297245451 /nfs/dbraw/zinc/24/54/51/1297245451.db2.gz PMFGJRKFTINNAF-IBGZPJMESA-N 0 3 349.434 3.423 20 10 EGCDHN C[N@H+](Cc1cc(Cl)cc(Br)c1[O-])C1(CN)CCC1 ZINC000708125199 1298236232 /nfs/dbraw/zinc/23/62/32/1298236232.db2.gz NCKKBILRZYQHGT-UHFFFAOYSA-N 0 3 333.657 3.121 20 10 EGCDHN C[N@@H+](Cc1cc(Cl)cc(Br)c1[O-])C1(CN)CCC1 ZINC000708125199 1298236239 /nfs/dbraw/zinc/23/62/39/1298236239.db2.gz NCKKBILRZYQHGT-UHFFFAOYSA-N 0 3 333.657 3.121 20 10 EGCDHN CCOc1ccc(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)c([O-])c1 ZINC000725841705 1298371616 /nfs/dbraw/zinc/37/16/16/1298371616.db2.gz WTXXTUCJNNOQNS-KRWDZBQOSA-N 0 3 330.428 3.311 20 10 EGCDHN Cc1ccc(C[N@@H+](C)C2CCN(C(=O)c3ccccc3)CC2)c([O-])c1 ZINC000876662854 1298904861 /nfs/dbraw/zinc/90/48/61/1298904861.db2.gz PANQJEYZSXCORY-UHFFFAOYSA-N 0 3 338.451 3.437 20 10 EGCDHN Cc1ccc(C[N@H+](C)C2CCN(C(=O)c3ccccc3)CC2)c([O-])c1 ZINC000876662854 1298904879 /nfs/dbraw/zinc/90/48/79/1298904879.db2.gz PANQJEYZSXCORY-UHFFFAOYSA-N 0 3 338.451 3.437 20 10 EGCDHN Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c([O-])c1 ZINC000876736194 1298947742 /nfs/dbraw/zinc/94/77/42/1298947742.db2.gz TXVKHLXFGJRPRP-GDBMZVCRSA-N 0 3 334.460 3.436 20 10 EGCDHN Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c([O-])c1 ZINC000876736194 1298947750 /nfs/dbraw/zinc/94/77/50/1298947750.db2.gz TXVKHLXFGJRPRP-GDBMZVCRSA-N 0 3 334.460 3.436 20 10 EGCDHN Oc1cccc2c1CC[C@@H]2NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877024296 1299117480 /nfs/dbraw/zinc/11/74/80/1299117480.db2.gz YMJXOBADXIQLIY-FQEVSTJZSA-N 0 3 338.451 3.130 20 10 EGCDHN CCN(Cc1ccccc1)c1ccc(CN[C@H](C)C(=O)N(C)C)cc1 ZINC000749924751 1299301114 /nfs/dbraw/zinc/30/11/14/1299301114.db2.gz RFRWLOCOOUKVCO-QGZVFWFLSA-N 0 3 339.483 3.279 20 10 EGCDHN Cc1ccc(C[N@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)c([O-])c1 ZINC000877505534 1299355167 /nfs/dbraw/zinc/35/51/67/1299355167.db2.gz UTAKUDFKBHTVAA-UHFFFAOYSA-N 0 3 334.423 3.446 20 10 EGCDHN Cc1ccc(C[N@@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)c([O-])c1 ZINC000877505534 1299355177 /nfs/dbraw/zinc/35/51/77/1299355177.db2.gz UTAKUDFKBHTVAA-UHFFFAOYSA-N 0 3 334.423 3.446 20 10 EGCDHN COc1cc(CCC[NH2+]Cc2c(C)cccc2[O-])cc(OC)c1O ZINC000877646084 1299452746 /nfs/dbraw/zinc/45/27/46/1299452746.db2.gz BFNUWNSSYSVMQZ-UHFFFAOYSA-N 0 3 331.412 3.146 20 10 EGCDHN Cc1ncc([N+](=O)[O-])n1CC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000878104313 1299751302 /nfs/dbraw/zinc/75/13/02/1299751302.db2.gz UCDMYOPCSQQWLU-UHFFFAOYSA-N 0 3 344.415 3.250 20 10 EGCDHN Cc1ncc([N+](=O)[O-])n1CC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000878104313 1299751309 /nfs/dbraw/zinc/75/13/09/1299751309.db2.gz UCDMYOPCSQQWLU-UHFFFAOYSA-N 0 3 344.415 3.250 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]CCN2CCN(c3ccccc3)CC2)c([O-])c1 ZINC000756395756 1300483110 /nfs/dbraw/zinc/48/31/10/1300483110.db2.gz HBTBDFIYXYUOME-SFHVURJKSA-N 0 3 339.483 3.173 20 10 EGCDHN CNC(=O)c1ccc(C[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)cc1 ZINC000756396975 1300483429 /nfs/dbraw/zinc/48/34/29/1300483429.db2.gz QXNCEIAXSFUYIM-IAQYHMDHSA-N 0 3 328.387 3.229 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccc(F)cc2)c2c1c(F)ccc2[O-] ZINC000756453727 1300494669 /nfs/dbraw/zinc/49/46/69/1300494669.db2.gz HXVGWYLWCPITDU-FFSVYQOJSA-N 0 3 349.377 3.248 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccc(F)cc2)c2c1c(F)ccc2[O-] ZINC000756453730 1300494712 /nfs/dbraw/zinc/49/47/12/1300494712.db2.gz HXVGWYLWCPITDU-KFNAQCHYSA-N 0 3 349.377 3.248 20 10 EGCDHN COc1cc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2[O-])ccc1OCCO ZINC000756461143 1300497243 /nfs/dbraw/zinc/49/72/43/1300497243.db2.gz WBAQGMUBFISIST-CHWSQXEVSA-N 0 3 349.402 3.323 20 10 EGCDHN C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cc(F)cc(F)c1[O-] ZINC000756482873 1300503617 /nfs/dbraw/zinc/50/36/17/1300503617.db2.gz JQEKBSHVIDJVAQ-MCIONIFRSA-N 0 3 342.430 3.210 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC3(CCOCC3)C2)c2c1c(F)ccc2[O-] ZINC000756766593 1300562764 /nfs/dbraw/zinc/56/27/64/1300562764.db2.gz XEAJUJRPGXHRNY-UMVBOHGHSA-N 0 3 335.419 3.397 20 10 EGCDHN COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648788 1300649693 /nfs/dbraw/zinc/64/96/93/1300649693.db2.gz DULFPNIYSOTDOZ-RBSFLKMASA-N 0 3 342.439 3.317 20 10 EGCDHN [O-]c1ccccc1C[NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000758578195 1300914877 /nfs/dbraw/zinc/91/48/77/1300914877.db2.gz BSMFZNIXKQMQBP-PMACEKPBSA-N 0 3 329.415 3.395 20 10 EGCDHN C[N@H+](CCc1cnccn1)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000761214894 1301421763 /nfs/dbraw/zinc/42/17/63/1301421763.db2.gz POYVMGYIEALAML-UHFFFAOYSA-N 0 3 349.434 3.436 20 10 EGCDHN C[N@@H+](CCc1cnccn1)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000761214894 1301421771 /nfs/dbraw/zinc/42/17/71/1301421771.db2.gz POYVMGYIEALAML-UHFFFAOYSA-N 0 3 349.434 3.436 20 10 EGCDHN CN(Cc1ccc(F)c(Cl)c1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000762123226 1301618120 /nfs/dbraw/zinc/61/81/20/1301618120.db2.gz XALNHKQQQODYFC-INIZCTEOSA-N 0 3 337.778 3.243 20 10 EGCDHN C[N@H+](Cc1ccc(F)c(Cl)c1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000762123226 1301618128 /nfs/dbraw/zinc/61/81/28/1301618128.db2.gz XALNHKQQQODYFC-INIZCTEOSA-N 0 3 337.778 3.243 20 10 EGCDHN C[N@@H+](Cc1ccc(F)c(Cl)c1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000762123226 1301618136 /nfs/dbraw/zinc/61/81/36/1301618136.db2.gz XALNHKQQQODYFC-INIZCTEOSA-N 0 3 337.778 3.243 20 10 EGCDHN Cc1cc(NCc2ccc(N3CCN(C)CC3)cc2)nc(C2CC2)n1 ZINC000882880484 1302145884 /nfs/dbraw/zinc/14/58/84/1302145884.db2.gz VBLSRRBNQCMITM-UHFFFAOYSA-N 0 3 337.471 3.026 20 10 EGCDHN CN(C)c1ccc(CN(C)Cc2ccc3c(c2)OCCO3)cc1F ZINC000768185048 1302849914 /nfs/dbraw/zinc/84/99/14/1302849914.db2.gz XARCUKPSPUXDQF-UHFFFAOYSA-N 0 3 330.403 3.295 20 10 EGCDHN C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768447892 1302906557 /nfs/dbraw/zinc/90/65/57/1302906557.db2.gz RGIOVUAWEDQXIN-FRIZHTMISA-N 0 3 325.408 3.196 20 10 EGCDHN C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768447892 1302906566 /nfs/dbraw/zinc/90/65/66/1302906566.db2.gz RGIOVUAWEDQXIN-FRIZHTMISA-N 0 3 325.408 3.196 20 10 EGCDHN CC1(c2ccccc2)CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768462135 1302911798 /nfs/dbraw/zinc/91/17/98/1302911798.db2.gz JWLMTOHINMXKBH-IBGZPJMESA-N 0 3 339.435 3.372 20 10 EGCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c([O-])c1 ZINC000770319732 1303248302 /nfs/dbraw/zinc/24/83/02/1303248302.db2.gz BAQGCRLRWSGJEZ-QAPCUYQASA-N 0 3 331.412 3.472 20 10 EGCDHN CCOc1ccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c([O-])c1 ZINC000770319732 1303248309 /nfs/dbraw/zinc/24/83/09/1303248309.db2.gz BAQGCRLRWSGJEZ-QAPCUYQASA-N 0 3 331.412 3.472 20 10 EGCDHN C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)NCCc1cccs1 ZINC000774486743 1303816502 /nfs/dbraw/zinc/81/65/02/1303816502.db2.gz YJBMOJODTKJJKS-HUUCEWRRSA-N 0 3 345.512 3.212 20 10 EGCDHN C[C@@H](NC(=O)c1cccc(CN(C)C)c1)c1ccc(N(C)C)cc1 ZINC000775407335 1303959384 /nfs/dbraw/zinc/95/93/84/1303959384.db2.gz SLBZRUDYUMWFQL-OAHLLOKOSA-N 0 3 325.456 3.305 20 10 EGCDHN CN1CCN(c2ccc(CN3CC=C(C(F)(F)F)CC3)cc2)CC1 ZINC000775717555 1304020634 /nfs/dbraw/zinc/02/06/34/1304020634.db2.gz OEUIKVWHQHMYGK-UHFFFAOYSA-N 0 3 339.405 3.133 20 10 EGCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000776000588 1304077219 /nfs/dbraw/zinc/07/72/19/1304077219.db2.gz YGTBLCZGMTTYFH-UHFFFAOYSA-N 0 3 333.378 3.240 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](C2CC2)N(C)C)c1[O-] ZINC000779004224 1304517186 /nfs/dbraw/zinc/51/71/86/1304517186.db2.gz PBDMBMLVVIKLKY-NHYWBVRUSA-N 0 3 341.293 3.454 20 10 EGCDHN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C)C2=CCN(C)CC2)cc1 ZINC000781396196 1304822951 /nfs/dbraw/zinc/82/29/51/1304822951.db2.gz JVLWEVKMFXHZPE-KRWDZBQOSA-N 0 3 337.467 3.474 20 10 EGCDHN Cc1cccc([C@H]2CC[N@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)c1 ZINC000784026880 1305179748 /nfs/dbraw/zinc/17/97/48/1305179748.db2.gz PSJZJHQVBFXUQD-KXBFYZLASA-N 0 3 325.408 3.116 20 10 EGCDHN Cc1cccc([C@H]2CC[N@@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)c1 ZINC000784026880 1305179752 /nfs/dbraw/zinc/17/97/52/1305179752.db2.gz PSJZJHQVBFXUQD-KXBFYZLASA-N 0 3 325.408 3.116 20 10 EGCDHN CCC[N@H+](Cc1ccc(OC)c(OC)c1[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000892101945 1305250875 /nfs/dbraw/zinc/25/08/75/1305250875.db2.gz PAQRNFCJVOUJHN-GDIGMMSISA-N 0 3 349.471 3.435 20 10 EGCDHN CCC[N@@H+](Cc1ccc(OC)c(OC)c1[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000892101945 1305250880 /nfs/dbraw/zinc/25/08/80/1305250880.db2.gz PAQRNFCJVOUJHN-GDIGMMSISA-N 0 3 349.471 3.435 20 10 EGCDHN CCOc1ccc(C[NH2+][C@H]2CCc3cc(OC)ccc3C2)c([O-])c1 ZINC000784624855 1305265395 /nfs/dbraw/zinc/26/53/95/1305265395.db2.gz UNKRQQFVBBVKCQ-KRWDZBQOSA-N 0 3 327.424 3.447 20 10 EGCDHN CCOc1ccc(C[NH2+][C@@H]2CCCN(C3CCCCC3)C2=O)c([O-])c1 ZINC000785546868 1305376751 /nfs/dbraw/zinc/37/67/51/1305376751.db2.gz CJLGHCJSFWQOCE-GOSISDBHSA-N 0 3 346.471 3.204 20 10 EGCDHN COC(=O)[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])[C@H]1C ZINC000787421149 1305742959 /nfs/dbraw/zinc/74/29/59/1305742959.db2.gz NVFNFLUAJJMVKD-KBXCAEBGSA-N 0 3 325.408 3.443 20 10 EGCDHN COC(=O)[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])[C@H]1C ZINC000787421149 1305742963 /nfs/dbraw/zinc/74/29/63/1305742963.db2.gz NVFNFLUAJJMVKD-KBXCAEBGSA-N 0 3 325.408 3.443 20 10 EGCDHN COc1cc2c(cc1CNCc1cc(C)cc(OC)c1O)O[C@H](C)C2 ZINC000894168816 1306259250 /nfs/dbraw/zinc/25/92/50/1306259250.db2.gz UDNAYMRNFNTEJF-CYBMUJFWSA-N 0 3 343.423 3.331 20 10 EGCDHN CCC(=O)Nc1cccc(CNCc2cc(C)cc(OC)c2O)c1 ZINC000894187517 1306268652 /nfs/dbraw/zinc/26/86/52/1306268652.db2.gz KPEFYWQWLIQNLW-UHFFFAOYSA-N 0 3 328.412 3.348 20 10 EGCDHN COc1ccc2c(c1)OCC[C@H]2NCc1cc(C)cc(OC)c1O ZINC000894303786 1306332110 /nfs/dbraw/zinc/33/21/10/1306332110.db2.gz HFXHJZFIBZLZHV-MRXNPFEDSA-N 0 3 329.396 3.331 20 10 EGCDHN COc1ccc(CNCc2cc(OC)cc3c2O[C@@H](C)C3)c(O)c1 ZINC000793387316 1309361466 /nfs/dbraw/zinc/36/14/66/1309361466.db2.gz CWVNYEMOPSGKNI-LBPRGKRZSA-N 0 3 329.396 3.023 20 10 EGCDHN COc1ccc(C[NH2+]Cc2cc(OC)cc3c2O[C@@H](C)C3)c([O-])c1 ZINC000793387316 1309361477 /nfs/dbraw/zinc/36/14/77/1309361477.db2.gz CWVNYEMOPSGKNI-LBPRGKRZSA-N 0 3 329.396 3.023 20 10 EGCDHN COC(=O)[C@@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000793608070 1309415259 /nfs/dbraw/zinc/41/52/59/1309415259.db2.gz GYTIIWFRUPRELK-GUYCJALGSA-N 0 3 331.387 3.041 20 10 EGCDHN C[C@@H]1C[C@H](c2ccccc2)[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000795748401 1309825688 /nfs/dbraw/zinc/82/56/88/1309825688.db2.gz XIKKPXRDAMKNJG-XVSDVWIESA-N 0 3 325.408 3.401 20 10 EGCDHN C[C@@H]1C[C@H](c2ccccc2)[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000795748401 1309825695 /nfs/dbraw/zinc/82/56/95/1309825695.db2.gz XIKKPXRDAMKNJG-XVSDVWIESA-N 0 3 325.408 3.401 20 10 EGCDHN C[C@@H]1C[C@@H](c2ccccc2)[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000795748387 1309825882 /nfs/dbraw/zinc/82/58/82/1309825882.db2.gz XIKKPXRDAMKNJG-FMEYXAORSA-N 0 3 325.408 3.401 20 10 EGCDHN C[C@@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000795748387 1309825888 /nfs/dbraw/zinc/82/58/88/1309825888.db2.gz XIKKPXRDAMKNJG-FMEYXAORSA-N 0 3 325.408 3.401 20 10 EGCDHN C[C@H]1C[C@@H]([NH2+]CC2(S(C)(=O)=O)CCCC2)c2c1c(F)ccc2[O-] ZINC000797102511 1310141378 /nfs/dbraw/zinc/14/13/78/1310141378.db2.gz PGCZTQITTVGSFK-WCQYABFASA-N 0 3 341.448 3.027 20 10 EGCDHN COC[C@@]1(C[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2[O-])CCCN1 ZINC000817975846 1319484170 /nfs/dbraw/zinc/48/41/70/1319484170.db2.gz YHXUBPNYJJLOMQ-BMIGLBTASA-N 0 3 333.259 3.118 20 10 EGCDHN Cc1noc(C[C@H]2CCCN(Cc3ccc(N(C)C)c(F)c3)C2)n1 ZINC000897579604 1310392243 /nfs/dbraw/zinc/39/22/43/1310392243.db2.gz YDECPFGZDOIMGW-CQSZACIVSA-N 0 3 332.423 3.038 20 10 EGCDHN CC[NH+](CC)C[C@@H]1CCN(Cc2ccc(Br)cc2[O-])C1 ZINC000824870455 1320293312 /nfs/dbraw/zinc/29/33/12/1320293312.db2.gz RQTPRPFBBSGGPH-ZDUSSCGKSA-N 0 3 341.293 3.318 20 10 EGCDHN Cc1nccn1C[C@H](C)C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825089511 1320308673 /nfs/dbraw/zinc/30/86/73/1320308673.db2.gz DNQIIIAHNXRYCT-LLVKDONJSA-N 0 3 338.249 3.086 20 10 EGCDHN CN(C)c1cc(F)c(CNC[C@H](c2ccsc2)N(C)C)cc1F ZINC000858091030 1328679276 /nfs/dbraw/zinc/67/92/76/1328679276.db2.gz NGAUQNRUSITFIR-QGZVFWFLSA-N 0 3 339.455 3.485 20 10 EGCDHN CC[C@@H](N[C@@H](CCSC)C(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000806662095 1317517636 /nfs/dbraw/zinc/51/76/36/1317517636.db2.gz JDFRKUYOOBAFKM-SJORKVTESA-N 0 3 337.533 3.003 20 10 EGCDHN CC[C@@H](C)N[C@@H](CNC(=O)N(C)Cc1ccccc1O)c1ccco1 ZINC000807441347 1317566526 /nfs/dbraw/zinc/56/65/26/1317566526.db2.gz GFNQFFRXRLGBJN-ZBFHGGJFSA-N 0 3 345.443 3.256 20 10 EGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@]2(N(C)C)CCSC2)c1[O-] ZINC000808700487 1317717237 /nfs/dbraw/zinc/71/72/37/1317717237.db2.gz LSVSPVUKLXAVFQ-WBMJQRKESA-N 0 3 328.909 3.442 20 10 EGCDHN CCOC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])C1 ZINC000808715548 1317720220 /nfs/dbraw/zinc/72/02/20/1317720220.db2.gz VRTUTSCFFBDBGA-WCQYABFASA-N 0 3 326.824 3.235 20 10 EGCDHN Cc1cc(Br)c([O-])c(C[NH2+]C[C@@H]2CCCCN(C)C2)c1 ZINC000858245747 1328720775 /nfs/dbraw/zinc/72/07/75/1328720775.db2.gz NIXFDWSNMNLDPU-ZDUSSCGKSA-N 0 3 341.293 3.285 20 10 EGCDHN COc1cccc([O-])c1C[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000809740503 1317886078 /nfs/dbraw/zinc/88/60/78/1317886078.db2.gz BCWNJSKIGSOVFZ-LBPRGKRZSA-N 0 3 326.396 3.136 20 10 EGCDHN CCOC1CC([N@H+](C)Cc2cc(Br)cc(C)c2[O-])C1 ZINC000809773578 1317895947 /nfs/dbraw/zinc/89/59/47/1317895947.db2.gz GEVSCLGALWGPEL-UHFFFAOYSA-N 0 3 328.250 3.462 20 10 EGCDHN CCOC1CC([N@@H+](C)Cc2cc(Br)cc(C)c2[O-])C1 ZINC000809773578 1317895956 /nfs/dbraw/zinc/89/59/56/1317895956.db2.gz GEVSCLGALWGPEL-UHFFFAOYSA-N 0 3 328.250 3.462 20 10 EGCDHN COc1ccc(O)c(CNCc2cc(O)cc(C(F)(F)F)c2)c1 ZINC000810145151 1317963420 /nfs/dbraw/zinc/96/34/20/1317963420.db2.gz UDAULPYQANDXOV-UHFFFAOYSA-N 0 3 327.302 3.415 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2COc3c(C)cccc3C2)c1[O-] ZINC000811517930 1318194058 /nfs/dbraw/zinc/19/40/58/1318194058.db2.gz DNXASDNVICMCOJ-HNNXBMFYSA-N 0 3 333.815 3.456 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN2CC(F)F)c2c1c(F)ccc2[O-] ZINC000858478887 1328774737 /nfs/dbraw/zinc/77/47/37/1328774737.db2.gz DDVLYSRKUZEQLO-MDZLAQPJSA-N 0 3 328.378 3.399 20 10 EGCDHN C[C@H]([NH2+]Cc1cc2ccccc2n(C)c1=O)c1cc(F)ccc1[O-] ZINC000813881654 1318650662 /nfs/dbraw/zinc/65/06/62/1318650662.db2.gz RKUFDMLBYIIIGC-LBPRGKRZSA-N 0 3 326.371 3.234 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)c2c1c(F)ccc2[O-] ZINC000858537689 1328791219 /nfs/dbraw/zinc/79/12/19/1328791219.db2.gz POVBJGJUUJLTPO-OOOLOXNWSA-N 0 3 344.386 3.300 20 10 EGCDHN Cc1cc(C)nc(N2CC[NH+](Cc3ccc4ccccc4c3[O-])CC2)n1 ZINC000816566621 1319184021 /nfs/dbraw/zinc/18/40/21/1319184021.db2.gz AUTRJNWESHJMIB-UHFFFAOYSA-N 0 3 348.450 3.274 20 10 EGCDHN C[C@@H]1C[C@H](CO)CN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000817413135 1319352391 /nfs/dbraw/zinc/35/23/91/1319352391.db2.gz UQBSFCQUVLDYRO-OLZOCXBDSA-N 0 3 330.394 3.222 20 10 EGCDHN C[C@@H]1C[C@@H](CO)CN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000817413134 1319352684 /nfs/dbraw/zinc/35/26/84/1319352684.db2.gz UQBSFCQUVLDYRO-CHWSQXEVSA-N 0 3 330.394 3.222 20 10 EGCDHN CCn1ccnc1[C@@H](C)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818341613 1319530478 /nfs/dbraw/zinc/53/04/78/1319530478.db2.gz BUPMBRVYVJDUCV-CVEARBPZSA-N 0 3 328.460 3.089 20 10 EGCDHN COC(=O)C1CCN(Cc2cc(OC)cc(C(C)(C)C)c2O)CC1 ZINC000915795253 1319536145 /nfs/dbraw/zinc/53/61/45/1319536145.db2.gz GCNSVZUELLIOGJ-UHFFFAOYSA-N 0 3 335.444 3.083 20 10 EGCDHN CC1(c2cccc(CNCc3ccc4c(c3)CCO4)c2)OCCO1 ZINC000821213461 1320003264 /nfs/dbraw/zinc/00/32/64/1320003264.db2.gz KVMWTLLLQMXFTM-UHFFFAOYSA-N 0 3 325.408 3.131 20 10 EGCDHN COc1cc(F)cc(CN(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000823390771 1320174659 /nfs/dbraw/zinc/17/46/59/1320174659.db2.gz JRFDSEPNTASAON-UHFFFAOYSA-N 0 3 344.430 3.303 20 10 EGCDHN CN(Cc1cccs1)c1ccc(CN[C@H]2CCCN(C)C2=O)cc1 ZINC000823970991 1320219685 /nfs/dbraw/zinc/21/96/85/1320219685.db2.gz KVFNPYYRXUIKNX-SFHVURJKSA-N 0 3 343.496 3.095 20 10 EGCDHN COC[C@]1(C)CCN(Cc2cc(Br)cc(OC)c2O)C1 ZINC000824576190 1320266437 /nfs/dbraw/zinc/26/64/37/1320266437.db2.gz CNXGBQXJRHETIE-OAHLLOKOSA-N 0 3 344.249 3.022 20 10 EGCDHN CN(C)C(=O)O[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000824576363 1320266677 /nfs/dbraw/zinc/26/66/77/1320266677.db2.gz KPZDFIULZCMDTO-SFHVURJKSA-N 0 3 340.423 3.332 20 10 EGCDHN CN(C)C(=O)O[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000824576363 1320266683 /nfs/dbraw/zinc/26/66/83/1320266683.db2.gz KPZDFIULZCMDTO-SFHVURJKSA-N 0 3 340.423 3.332 20 10 EGCDHN CO[C@@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000824815185 1320288131 /nfs/dbraw/zinc/28/81/31/1320288131.db2.gz JJPQIBGJLZCLGP-DNVCBOLYSA-N 0 3 347.459 3.442 20 10 EGCDHN COc1ccc(CN[C@@H]2C[C@@H](OC(C)(C)C)[C@H]2n2cccn2)cc1C ZINC000825118910 1320313009 /nfs/dbraw/zinc/31/30/09/1320313009.db2.gz YUZAUVWDWRBRSR-QRQLOZEOSA-N 0 3 343.471 3.487 20 10 EGCDHN Cc1cc([O-])c(CN(CC[NH+](C)C)Cc2ccccn2)cc1Cl ZINC000825916274 1320370953 /nfs/dbraw/zinc/37/09/53/1320370953.db2.gz LZBNFUTUEZPCND-UHFFFAOYSA-N 0 3 333.863 3.313 20 10 EGCDHN Cc1cccc(C(C)(C)NCC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000839545905 1320935961 /nfs/dbraw/zinc/93/59/61/1320935961.db2.gz YIJAPODXQPCOPZ-UHFFFAOYSA-N 0 3 339.483 3.202 20 10 EGCDHN COc1ccc(CN(C)Cc2cc3c(cc2O)OCO3)cc1Cl ZINC000840185361 1321045528 /nfs/dbraw/zinc/04/55/28/1321045528.db2.gz YTTZAILHPFRVDG-UHFFFAOYSA-N 0 3 335.787 3.415 20 10 EGCDHN Cc1cc(N(C)C)ccc1CNc1ccc(N2CCN(C)CC2)cc1 ZINC000840924622 1321179082 /nfs/dbraw/zinc/17/90/82/1321179082.db2.gz ZKTNPZFNCSCXTN-UHFFFAOYSA-N 0 3 338.499 3.425 20 10 EGCDHN COc1cc(Br)cc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@H]2C)c1[O-] ZINC000840964855 1321189214 /nfs/dbraw/zinc/18/92/14/1321189214.db2.gz WDUXAYKBAZJDOF-VWYCJHECSA-N 0 3 344.249 3.066 20 10 EGCDHN CCN(CC)c1ccc(CNC(=O)Nc2ccc3c(c2)CNC3)cc1 ZINC000841332447 1321258105 /nfs/dbraw/zinc/25/81/05/1321258105.db2.gz PYDGPEFWMXGYLQ-UHFFFAOYSA-N 0 3 338.455 3.458 20 10 EGCDHN C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC2(CCCC2)O1 ZINC000843434772 1321518302 /nfs/dbraw/zinc/51/83/02/1321518302.db2.gz NTKNLYPFANNJIJ-QGZVFWFLSA-N 0 3 330.472 3.057 20 10 EGCDHN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H](N)CC(F)F ZINC000843484309 1321522140 /nfs/dbraw/zinc/52/21/40/1321522140.db2.gz JPBNLXWCBYWAFA-XJKSGUPXSA-N 0 3 348.393 3.465 20 10 EGCDHN C[C@@H](C[NH2+][C@H](C)c1ccccc1[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000845988779 1321761510 /nfs/dbraw/zinc/76/15/10/1321761510.db2.gz BAWSBOOYZQNFKR-UONOGXRCSA-N 0 3 333.453 3.250 20 10 EGCDHN O=C1C[C@@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CN1C1CC1 ZINC000846076004 1321767328 /nfs/dbraw/zinc/76/73/28/1321767328.db2.gz ZGYIMZASQAEFLF-HNNXBMFYSA-N 0 3 336.435 3.160 20 10 EGCDHN CCN(Cc1ccccc1)C(=O)CN[C@@H](C)c1cccc(OC)c1O ZINC000846141426 1321770599 /nfs/dbraw/zinc/77/05/99/1321770599.db2.gz INKROXOMFXNMKV-HNNXBMFYSA-N 0 3 342.439 3.100 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCc3ccccc3NC2=O)c1[O-] ZINC000848922440 1322046210 /nfs/dbraw/zinc/04/62/10/1322046210.db2.gz SEZACYPCRJGBLT-HNNXBMFYSA-N 0 3 346.814 3.097 20 10 EGCDHN COC[C@@H](N[C@H](C)c1cc(OC)ccc1O)c1cccc(OC)c1 ZINC000850515368 1322260175 /nfs/dbraw/zinc/26/01/75/1322260175.db2.gz XCOVZICQVIGSFH-FZKQIMNGSA-N 0 3 331.412 3.448 20 10 EGCDHN Cc1ccncc1[C@@H](C)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000850568377 1322269120 /nfs/dbraw/zinc/26/91/20/1322269120.db2.gz WOEQSXPXIHFUEB-MRXNPFEDSA-N 0 3 325.456 3.202 20 10 EGCDHN COc1ccc(N2CC[C@H](CNCc3c(Cl)c(C)nn3C)C2)cc1 ZINC000922196313 1322476356 /nfs/dbraw/zinc/47/63/56/1322476356.db2.gz KXGLWRUCBLOHMO-CQSZACIVSA-N 0 3 348.878 3.007 20 10 EGCDHN CC1CCN(c2ccc(CNC(=O)c3cccc4c3CNC4)cc2)CC1 ZINC000852803548 1323242752 /nfs/dbraw/zinc/24/27/52/1323242752.db2.gz LCDLEXWTAMCZTE-UHFFFAOYSA-N 0 3 349.478 3.456 20 10 EGCDHN [O-]c1cccc(Br)c1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000862247649 1329470828 /nfs/dbraw/zinc/47/08/28/1329470828.db2.gz KPUCMYSLPFCKOJ-CYBMUJFWSA-N 0 3 339.277 3.072 20 10 EGCDHN COc1ccc(CNCc2ccnc(N3CCSCC3)c2)cc1C ZINC000865721502 1329732426 /nfs/dbraw/zinc/73/24/26/1329732426.db2.gz YUVCPMYWDMKNQB-UHFFFAOYSA-N 0 3 343.496 3.242 20 10 EGCDHN CN1C(=O)C2(CC[NH+](Cc3ccccc3[O-])CC2)[C@H]1c1ccccc1 ZINC001203552186 1370167091 /nfs/dbraw/zinc/16/70/91/1370167091.db2.gz DHVHRSXWSZTGNK-LJQANCHMSA-N 0 3 336.435 3.188 20 10 EGCDHN COc1cccc(CN2CCC(O)(c3ccccc3F)CC2)c1O ZINC001203595824 1370181752 /nfs/dbraw/zinc/18/17/52/1370181752.db2.gz PTTLRCRHXWDWBM-UHFFFAOYSA-N 0 3 331.387 3.024 20 10 EGCDHN COc1ccc(C[N@H+](CCNC(=O)OC(C)(C)C)C(C)C)c([O-])c1 ZINC001203629354 1370193355 /nfs/dbraw/zinc/19/33/55/1370193355.db2.gz XVMXKNOMPVPNTD-UHFFFAOYSA-N 0 3 338.448 3.136 20 10 EGCDHN COc1ccc(C[N@@H+](CCNC(=O)OC(C)(C)C)C(C)C)c([O-])c1 ZINC001203629354 1370193356 /nfs/dbraw/zinc/19/33/56/1370193356.db2.gz XVMXKNOMPVPNTD-UHFFFAOYSA-N 0 3 338.448 3.136 20 10 EGCDHN CC[N@H+](Cc1ccc(OC(C)=O)c(OC)c1)Cc1ccccc1[O-] ZINC001203837639 1370285812 /nfs/dbraw/zinc/28/58/12/1370285812.db2.gz VLODHOGTLYOBFU-UHFFFAOYSA-N 0 3 329.396 3.348 20 10 EGCDHN CC[N@@H+](Cc1ccc(OC(C)=O)c(OC)c1)Cc1ccccc1[O-] ZINC001203837639 1370285815 /nfs/dbraw/zinc/28/58/15/1370285815.db2.gz VLODHOGTLYOBFU-UHFFFAOYSA-N 0 3 329.396 3.348 20 10 EGCDHN COc1cccnc1O[C@@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC001203935806 1370321576 /nfs/dbraw/zinc/32/15/76/1370321576.db2.gz DTNSIQDTQIWFSJ-GOSISDBHSA-N 0 3 341.455 3.200 20 10 EGCDHN CCN(CC)c1ccc(CN(C)CCNC(=O)OC(C)(C)C)cc1 ZINC001203936881 1370322112 /nfs/dbraw/zinc/32/21/12/1370322112.db2.gz QFRSAIMCKHINGA-UHFFFAOYSA-N 0 3 335.492 3.489 20 10 EGCDHN CCN(CC)c1ccc(CN2CC[C@@H](Oc3ncc(C)cn3)C2)cc1 ZINC001203943833 1370324095 /nfs/dbraw/zinc/32/40/95/1370324095.db2.gz HKAVFAKQHGMLKG-LJQANCHMSA-N 0 3 340.471 3.285 20 10 EGCDHN CN1CCN(C2(c3ccc(Nc4cccc(O)c4O)cc3)CC2)CC1 ZINC001205113351 1370653628 /nfs/dbraw/zinc/65/36/28/1370653628.db2.gz JBXXIRIPKJIQIC-UHFFFAOYSA-N 0 3 339.439 3.078 20 10 EGCDHN Cc1n[nH]c(=O)c(CNCc2ccc(N3CCCCC3)cc2)c1C ZINC001116017624 1370820811 /nfs/dbraw/zinc/82/08/11/1370820811.db2.gz DSEONIROZTXXSS-UHFFFAOYSA-N 0 3 326.444 3.079 20 10 EGCDHN CCCC[N@H+](Cc1c(C)nn(CCO)c1C)Cc1ccccc1[O-] ZINC001116956781 1371006527 /nfs/dbraw/zinc/00/65/27/1371006527.db2.gz LVRBEMIDXNYTCY-UHFFFAOYSA-N 0 3 331.460 3.000 20 10 EGCDHN CCCC[N@@H+](Cc1c(C)nn(CCO)c1C)Cc1ccccc1[O-] ZINC001116956781 1371006530 /nfs/dbraw/zinc/00/65/30/1371006530.db2.gz LVRBEMIDXNYTCY-UHFFFAOYSA-N 0 3 331.460 3.000 20 10 EGCDHN COc1ccc(CN2CCN(Cc3cccc(C)c3O)CC2)cc1 ZINC001231593445 1376274076 /nfs/dbraw/zinc/27/40/76/1376274076.db2.gz YUYBWBCROUGXRS-UHFFFAOYSA-N 0 3 326.440 3.027 20 10 EGCDHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1cc2cc[nH]c2cn1 ZINC001231668490 1376300121 /nfs/dbraw/zinc/30/01/21/1376300121.db2.gz WXIJZJBGJJPMJP-UHFFFAOYSA-N 0 3 336.439 3.032 20 10 EGCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](Oc3nccnc3C)C2)cc1Cl ZINC001231871278 1376333308 /nfs/dbraw/zinc/33/33/08/1376333308.db2.gz ISIXPWZTBUESEJ-HNNXBMFYSA-N 0 3 347.846 3.496 20 10 EGCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H](Oc3nccnc3C)C2)cc1Cl ZINC001231871278 1376333313 /nfs/dbraw/zinc/33/33/13/1376333313.db2.gz ISIXPWZTBUESEJ-HNNXBMFYSA-N 0 3 347.846 3.496 20 10 EGCDHN Cc1cc(CN(C)Cc2ccc(N3CCOCC3)cc2)cc(C)n1 ZINC001232000356 1376377901 /nfs/dbraw/zinc/37/79/01/1376377901.db2.gz JKSDVXJKRSIIKH-UHFFFAOYSA-N 0 3 325.456 3.167 20 10 EGCDHN [O-]c1cccc(F)c1C[N@H+]1C[C@H]2CN(Cc3cccs3)C[C@H]2C1 ZINC001137832630 1377624283 /nfs/dbraw/zinc/62/42/83/1377624283.db2.gz BQHQTNLCEVJEBD-OKILXGFUSA-N 0 3 332.444 3.157 20 10 EGCDHN [O-]c1cccc(F)c1C[N@@H+]1C[C@H]2CN(Cc3cccs3)C[C@H]2C1 ZINC001137832630 1377624286 /nfs/dbraw/zinc/62/42/86/1377624286.db2.gz BQHQTNLCEVJEBD-OKILXGFUSA-N 0 3 332.444 3.157 20 10 EGCDHN CCCNC(=O)[C@H]1CCCCN1Cc1c(C)n(C)c2ccccc12 ZINC001138256951 1377694918 /nfs/dbraw/zinc/69/49/18/1377694918.db2.gz QNJHKNDJQXDHDM-LJQANCHMSA-N 0 3 327.472 3.367 20 10 EGCDHN CN1CCN(c2ccc(CN3CCC[C@@H]3c3nccs3)cc2)CC1 ZINC001139412080 1377880670 /nfs/dbraw/zinc/88/06/70/1377880670.db2.gz CNMMLMKNIZSHOI-GOSISDBHSA-N 0 3 342.512 3.232 20 10 EGCDHN Cc1cc(CN2C[C@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)ccc1N(C)C ZINC001139674376 1377931374 /nfs/dbraw/zinc/93/13/74/1377931374.db2.gz XCSALKCNXJEPOY-FUHWJXTLSA-N 0 3 345.487 3.112 20 10 EGCDHN Cc1cc(CN2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)ccc1N(C)C ZINC001139674377 1377931818 /nfs/dbraw/zinc/93/18/18/1377931818.db2.gz XCSALKCNXJEPOY-SJLPKXTDSA-N 0 3 345.487 3.112 20 10 EGCDHN Oc1ccc(F)cc1CN1CCC[C@H](c2noc(C(F)(F)F)n2)C1 ZINC001140054937 1377997171 /nfs/dbraw/zinc/99/71/71/1377997171.db2.gz AJMAKMBIRAONQZ-VIFPVBQESA-N 0 3 345.296 3.313 20 10 EGCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H](c2noc(C(F)(F)F)n2)C1 ZINC001140054937 1377997175 /nfs/dbraw/zinc/99/71/75/1377997175.db2.gz AJMAKMBIRAONQZ-VIFPVBQESA-N 0 3 345.296 3.313 20 10 EGCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H](c2noc(C(F)(F)F)n2)C1 ZINC001140054937 1377997179 /nfs/dbraw/zinc/99/71/79/1377997179.db2.gz AJMAKMBIRAONQZ-VIFPVBQESA-N 0 3 345.296 3.313 20 10 EGCDHN CC1(C)[N@H+](Cc2cc(F)ccc2[O-])CC[C@@]12C(=O)Oc1ccccc12 ZINC001140060134 1377998384 /nfs/dbraw/zinc/99/83/84/1377998384.db2.gz LXPPCTFPQKVRJY-HXUWFJFHSA-N 0 3 341.382 3.373 20 10 EGCDHN CC1(C)[N@@H+](Cc2cc(F)ccc2[O-])CC[C@@]12C(=O)Oc1ccccc12 ZINC001140060134 1377998385 /nfs/dbraw/zinc/99/83/85/1377998385.db2.gz LXPPCTFPQKVRJY-HXUWFJFHSA-N 0 3 341.382 3.373 20 10 EGCDHN CN(C(=O)c1ccccc1)C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC001140060239 1377998414 /nfs/dbraw/zinc/99/84/14/1377998414.db2.gz QOTONFSVFZAFQP-UHFFFAOYSA-N 0 3 342.414 3.268 20 10 EGCDHN CCN(CC[NH+]1CCCC1)Cc1c([O-])cccc1Br ZINC001140101106 1378007439 /nfs/dbraw/zinc/00/74/39/1378007439.db2.gz LCCMNRUWXKNLOO-UHFFFAOYSA-N 0 3 327.266 3.072 20 10 EGCDHN CN1CC[C@@]2(CCC[N@H+](Cc3c([O-])ccc4ccccc43)CC2)C1=O ZINC001273768921 1378110459 /nfs/dbraw/zinc/11/04/59/1378110459.db2.gz AWQQRZLPQHFWAT-OAQYLSRUSA-N 0 3 338.451 3.380 20 10 EGCDHN CN1CC[C@@]2(CCC[N@@H+](Cc3c([O-])ccc4ccccc43)CC2)C1=O ZINC001273768921 1378110461 /nfs/dbraw/zinc/11/04/61/1378110461.db2.gz AWQQRZLPQHFWAT-OAQYLSRUSA-N 0 3 338.451 3.380 20 10 EGCDHN Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3NC(=O)OC(C)(C)C)c([O-])c1 ZINC001140951131 1378189795 /nfs/dbraw/zinc/18/97/95/1378189795.db2.gz ZWFUZILGPUWYJF-ALXJQNPVSA-N 0 3 346.471 3.436 20 10 EGCDHN Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3NC(=O)OC(C)(C)C)c([O-])c1 ZINC001140951131 1378189798 /nfs/dbraw/zinc/18/97/98/1378189798.db2.gz ZWFUZILGPUWYJF-ALXJQNPVSA-N 0 3 346.471 3.436 20 10 EGCDHN COc1ccc2c(c1)CN(Cc1ccc3c(c1)OCCN3C)CCC2 ZINC001141145364 1378248276 /nfs/dbraw/zinc/24/82/76/1378248276.db2.gz AMRXOFRBHGRRRB-UHFFFAOYSA-N 0 3 338.451 3.472 20 10 EGCDHN CN1CCOc2cc(CN3CC[C@@H](Oc4ccc(F)cc4)C3)ccc21 ZINC001141142825 1378248523 /nfs/dbraw/zinc/24/85/23/1378248523.db2.gz BYAQSTZVQABDBC-GOSISDBHSA-N 0 3 342.414 3.308 20 10 EGCDHN CC(C)(C)OC(=O)N1CCC12CCN(Cc1cc(O)ccc1O)CC2 ZINC001141156949 1378252568 /nfs/dbraw/zinc/25/25/68/1378252568.db2.gz YSLCRJQFXPTIIA-UHFFFAOYSA-N 0 3 348.443 3.073 20 10 EGCDHN COc1ccc(CN[C@H]2C[C@H](C)c3c2c(O)ccc3C)c(OC)n1 ZINC001327532293 1388553435 /nfs/dbraw/zinc/55/34/35/1388553435.db2.gz JTCZAAPXYUVSOB-JSGCOSHPSA-N 0 3 328.412 3.451 20 10 EGCDHN CC[NH+]1CCC(CC2CCN(C(=O)c3cccc(O)c3[O-])CC2)CC1 ZINC001148219058 1379134994 /nfs/dbraw/zinc/13/49/94/1379134994.db2.gz TYPCKLLVHOBKHO-UHFFFAOYSA-N 0 3 346.471 3.072 20 10 EGCDHN Cc1cnc2ccccc2c1NCc1ccc(N2CCOCC2)cc1 ZINC001339797318 1390150606 /nfs/dbraw/zinc/15/06/06/1390150606.db2.gz SCUMECNMVPCUGE-UHFFFAOYSA-N 0 3 333.435 3.414 20 10 EGCDHN CN(C)c1ccc(CN2CC[C@@](O)(C3CC3)C2)c(C(F)(F)F)c1 ZINC001344378050 1390787767 /nfs/dbraw/zinc/78/77/67/1390787767.db2.gz NGTBGHHEVKXOBO-INIZCTEOSA-N 0 3 328.378 3.118 20 10 EGCDHN CCCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCCCN1C ZINC001347041778 1390995363 /nfs/dbraw/zinc/99/53/63/1390995363.db2.gz GERUIXJIVWFHMB-KRWDZBQOSA-N 0 3 333.476 3.188 20 10 EGCDHN CCOC(=O)COc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC001349633628 1391347065 /nfs/dbraw/zinc/34/70/65/1391347065.db2.gz RODBGUOMNYGZBW-CQSZACIVSA-N 0 3 329.396 3.185 20 10 EGCDHN Cc1cc([O-])c(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)cc1C ZINC000054548677 214244894 /nfs/dbraw/zinc/24/48/94/214244894.db2.gz SKADNNWUQDZFER-UHFFFAOYSA-N 0 3 334.460 3.498 20 10 EGCDHN COc1ccccc1N1CCN(Cc2cc(C)c(C)cc2O)CC1 ZINC000003377815 210023091 /nfs/dbraw/zinc/02/30/91/210023091.db2.gz BWFJFDFSCPJWFL-UHFFFAOYSA-N 0 3 326.440 3.340 20 10 EGCDHN C[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000164517052 226080383 /nfs/dbraw/zinc/08/03/83/226080383.db2.gz KAPVPBQICOONPH-GOEBONIOSA-N 0 3 333.476 3.413 20 10 EGCDHN CC(C)N1CCC([NH2+]Cc2cc(Br)ccc2[O-])CC1 ZINC000227435187 456114630 /nfs/dbraw/zinc/11/46/30/456114630.db2.gz OOEZPDKRHWTADG-UHFFFAOYSA-N 0 3 327.266 3.117 20 10 EGCDHN CC1(O)CC[NH+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000183079110 455224680 /nfs/dbraw/zinc/22/46/80/455224680.db2.gz NQPZBFRXJQBVFQ-UHFFFAOYSA-N 0 3 327.424 3.318 20 10 EGCDHN COc1cc(O)c(CNCc2ccc(OC(C)(C)C)nc2)cc1OC ZINC000181128775 455292798 /nfs/dbraw/zinc/29/27/98/455292798.db2.gz ISHRMBMDWIZEKU-UHFFFAOYSA-N 0 3 346.427 3.272 20 10 EGCDHN C[C@H](NCc1cccc(N(C)C)c1)c1ccc(N2CCOCC2)cc1 ZINC000119836305 454225254 /nfs/dbraw/zinc/22/52/54/454225254.db2.gz SOCCZBJFWBYGPA-KRWDZBQOSA-N 0 3 339.483 3.440 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]C[C@](C)(O)c2ccsc2)c1[O-] ZINC000184709033 455433437 /nfs/dbraw/zinc/43/34/37/455433437.db2.gz SGGWUOGRIIXEGV-HNNXBMFYSA-N 0 3 327.833 3.113 20 10 EGCDHN CC(C)C(=O)NCC[N@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000092103955 454523892 /nfs/dbraw/zinc/52/38/92/454523892.db2.gz NJAMCNQZQSNBOX-UHFFFAOYSA-N 0 3 326.440 3.263 20 10 EGCDHN CC(C)C(=O)NCC[N@@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000092103955 454523895 /nfs/dbraw/zinc/52/38/95/454523895.db2.gz NJAMCNQZQSNBOX-UHFFFAOYSA-N 0 3 326.440 3.263 20 10 EGCDHN CCCCN(C)C(=O)C1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000092145459 454527730 /nfs/dbraw/zinc/52/77/30/454527730.db2.gz ARTFOFUUSHNYBY-UHFFFAOYSA-N 0 3 331.504 3.223 20 10 EGCDHN CCN(C[C@H]1CC[N@H+](Cc2cc(C)ccc2[O-])C1)CC(F)(F)F ZINC000093771160 454735332 /nfs/dbraw/zinc/73/53/32/454735332.db2.gz KNWABWAZAGKMNC-CQSZACIVSA-N 0 3 330.394 3.407 20 10 EGCDHN CCN(C[C@H]1CC[N@@H+](Cc2cc(C)ccc2[O-])C1)CC(F)(F)F ZINC000093771160 454735336 /nfs/dbraw/zinc/73/53/36/454735336.db2.gz KNWABWAZAGKMNC-CQSZACIVSA-N 0 3 330.394 3.407 20 10 EGCDHN CN(C)c1ccc(CN2CCC(OC[C@@H]3CCCCO3)CC2)cc1 ZINC000093841939 454740116 /nfs/dbraw/zinc/74/01/16/454740116.db2.gz JIKFYDJSEPASGV-FQEVSTJZSA-N 0 3 332.488 3.303 20 10 EGCDHN CCc1cc(N2CCC([NH2+][C@@H](C)c3ccccc3[O-])CC2)ncn1 ZINC000154220221 454875390 /nfs/dbraw/zinc/87/53/90/454875390.db2.gz LMGFKIRTEPIORW-AWEZNQCLSA-N 0 3 326.444 3.064 20 10 EGCDHN C[C@@H]([NH2+]Cc1cccc(OCCN(C)C)c1)c1ccc(F)cc1[O-] ZINC000185056462 455493199 /nfs/dbraw/zinc/49/31/99/455493199.db2.gz DOFGGIIUTNYLCR-CQSZACIVSA-N 0 3 332.419 3.323 20 10 EGCDHN COc1cccc(CN(Cc2ccc(O)c(OC)c2)C2CC2)c1O ZINC000191511076 455492534 /nfs/dbraw/zinc/49/25/34/455492534.db2.gz OLIIRJVSVMADCA-UHFFFAOYSA-N 0 3 329.396 3.280 20 10 EGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C2CCN(C(=O)c3ccoc3)CC2)c1 ZINC000184979586 455480697 /nfs/dbraw/zinc/48/06/97/455480697.db2.gz PJTBKWJJFNYDCL-AWEZNQCLSA-N 0 3 328.412 3.249 20 10 EGCDHN CN(Cc1ccc(N(C)C)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000155190238 454973057 /nfs/dbraw/zinc/97/30/57/454973057.db2.gz YZCBTDZUKVZTFO-UHFFFAOYSA-N 0 3 339.483 3.221 20 10 EGCDHN CC[C@@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1ccccc1[O-] ZINC000155200695 454974033 /nfs/dbraw/zinc/97/40/33/454974033.db2.gz KJIOCWLTYWXRDM-LJQANCHMSA-N 0 3 325.456 3.493 20 10 EGCDHN CCCOc1ccc(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c([O-])c1 ZINC000151375689 454976574 /nfs/dbraw/zinc/97/65/74/454976574.db2.gz MKNPIUHSGWRTAQ-MAUKXSAKSA-N 0 3 337.485 3.325 20 10 EGCDHN O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3ccccc3[O-])CC2)cc1 ZINC000179579791 455059757 /nfs/dbraw/zinc/05/97/57/455059757.db2.gz XNVYZVXQWBMJKF-UHFFFAOYSA-N 0 3 328.368 3.344 20 10 EGCDHN Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(C)c3[O-])C2)nc1 ZINC000179729952 455071822 /nfs/dbraw/zinc/07/18/22/455071822.db2.gz LDHNACLLWVSHKV-QGZVFWFLSA-N 0 3 339.439 3.255 20 10 EGCDHN Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(C)c3[O-])C2)nc1 ZINC000179729952 455071824 /nfs/dbraw/zinc/07/18/24/455071824.db2.gz LDHNACLLWVSHKV-QGZVFWFLSA-N 0 3 339.439 3.255 20 10 EGCDHN CCc1cc(N2CCC[C@H]([NH2+][C@@H](CC)c3ccccc3[O-])C2)ncn1 ZINC000156548114 455131495 /nfs/dbraw/zinc/13/14/95/455131495.db2.gz JBOWGAJYUAYZDR-WMZOPIPTSA-N 0 3 340.471 3.454 20 10 EGCDHN C[C@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnccn1 ZINC000130075105 455141427 /nfs/dbraw/zinc/14/14/27/455141427.db2.gz RDOMTFKLZRBABU-UONOGXRCSA-N 0 3 348.397 3.398 20 10 EGCDHN CC[C@H]([NH2+]CCCN1C(=O)COc2ccccc21)c1ccccc1[O-] ZINC000156662490 455142409 /nfs/dbraw/zinc/14/24/09/455142409.db2.gz PBFZJAWZFUFOID-INIZCTEOSA-N 0 3 340.423 3.249 20 10 EGCDHN COc1cccc(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)c1[O-] ZINC000237363397 455176877 /nfs/dbraw/zinc/17/68/77/455176877.db2.gz JCKFOGAADABNJI-UHFFFAOYSA-N 0 3 331.387 3.335 20 10 EGCDHN COc1ccc([O-])c(C[NH2+]C[C@H](c2ccccc2)N2CCCC2)c1 ZINC000237360703 455176899 /nfs/dbraw/zinc/17/68/99/455176899.db2.gz AFFVFAGWBKYUAN-LJQANCHMSA-N 0 3 326.440 3.328 20 10 EGCDHN COc1cc(N2CCN(CC3CCCC3)CC2)cc(OC)c1OC ZINC000183697706 455322187 /nfs/dbraw/zinc/32/21/87/455322187.db2.gz UODWFMDNWOHVCF-UHFFFAOYSA-N 0 3 334.460 3.025 20 10 EGCDHN Cc1ccc([C@H](C[NH2+][C@@H](C)c2cc(F)ccc2[O-])N2CCOCC2)o1 ZINC000184909861 455470527 /nfs/dbraw/zinc/47/05/27/455470527.db2.gz MGHAOOIMJAOAFF-YOEHRIQHSA-N 0 3 348.418 3.157 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCc2ccc(N3CCCC3)nc2)c1 ZINC000184984145 455481646 /nfs/dbraw/zinc/48/16/46/455481646.db2.gz MAGQJAYWOFZOJD-AWEZNQCLSA-N 0 3 327.428 3.247 20 10 EGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]Cc2cccc(OCC(=O)N(C)C)c2)c1 ZINC000185063609 455494786 /nfs/dbraw/zinc/49/47/86/455494786.db2.gz ZJCHXNGZPFBHMO-OAHLLOKOSA-N 0 3 342.439 3.018 20 10 EGCDHN COCCCN1CCC([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000185314302 455537947 /nfs/dbraw/zinc/53/79/47/455537947.db2.gz PYOQBSUSUSHPCA-ZDUSSCGKSA-N 0 3 326.868 3.197 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCc2ccc3c(c2)OCCCO3)c1 ZINC000185323188 455540677 /nfs/dbraw/zinc/54/06/77/455540677.db2.gz LOEKVLBMEWINJC-ZDUSSCGKSA-N 0 3 329.396 3.413 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2ccc3c(c2)OCCCO3)c1 ZINC000185323188 455540680 /nfs/dbraw/zinc/54/06/80/455540680.db2.gz LOEKVLBMEWINJC-ZDUSSCGKSA-N 0 3 329.396 3.413 20 10 EGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](O)COc2ccc(F)c(F)c2)c1 ZINC000185374859 455550543 /nfs/dbraw/zinc/55/05/43/455550543.db2.gz YSKZPKNLUJXJRN-QWHCGFSZSA-N 0 3 337.366 3.069 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCNC(=O)c2ccccc2Cl)c1 ZINC000185446482 455558896 /nfs/dbraw/zinc/55/88/96/455558896.db2.gz CDDJHRAUMGIGDT-LBPRGKRZSA-N 0 3 348.830 3.135 20 10 EGCDHN C[C@H]([NH2+][C@@H](CO)Cc1c[nH]c2ccccc12)c1cc(F)ccc1[O-] ZINC000185464962 455562319 /nfs/dbraw/zinc/56/23/19/455562319.db2.gz JCWOVQAOJUIJLA-SWLSCSKDSA-N 0 3 328.387 3.267 20 10 EGCDHN C[C@H](CO[C@@H]1CCOC1)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000267901615 455562508 /nfs/dbraw/zinc/56/25/08/455562508.db2.gz LKTZXPPGURNJLX-DNVCBOLYSA-N 0 3 327.424 3.343 20 10 EGCDHN Cc1cc(Br)cc(CN2CCC[C@H]([NH+](C)C)CC2)c1[O-] ZINC000277551914 455596194 /nfs/dbraw/zinc/59/61/94/455596194.db2.gz RBKBQHOMQLGSFV-HNNXBMFYSA-N 0 3 341.293 3.379 20 10 EGCDHN Cc1cc([O-])c(C[NH2+]C2CCC(O)(c3cccnc3)CC2)cc1C ZINC000185689861 455598760 /nfs/dbraw/zinc/59/87/60/455598760.db2.gz PMEVUHNCOSCRDM-UHFFFAOYSA-N 0 3 326.440 3.324 20 10 EGCDHN Cc1cc(CN[C@H](C)c2ccc3c(c2)CC(=O)N3C)ccc1N(C)C ZINC000271498265 455661205 /nfs/dbraw/zinc/66/12/05/455661205.db2.gz MWENXISHEIRPNV-OAHLLOKOSA-N 0 3 337.467 3.431 20 10 EGCDHN CCc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3cc(F)ccc3[O-])C2)ncn1 ZINC000186023840 455678126 /nfs/dbraw/zinc/67/81/26/455678126.db2.gz WEYPUTSZBIZLQP-BBRMVZONSA-N 0 3 344.434 3.203 20 10 EGCDHN COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)c2ccc(C)cc2[O-])C1=O ZINC000186102231 455694044 /nfs/dbraw/zinc/69/40/44/455694044.db2.gz VSKDFPKXQKFRRK-GOEBONIOSA-N 0 3 340.423 3.165 20 10 EGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000186190670 455712683 /nfs/dbraw/zinc/71/26/83/455712683.db2.gz WXAIAFKMVOBGHB-FUHWJXTLSA-N 0 3 338.451 3.400 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(N3CCOC3=O)cc2)c1 ZINC000186526057 455787105 /nfs/dbraw/zinc/78/71/05/455787105.db2.gz QLAZMVIZIBVUCR-ZDUSSCGKSA-N 0 3 342.395 3.208 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCc2ccc(N3CCOC3=O)cc2)c1 ZINC000186526057 455787111 /nfs/dbraw/zinc/78/71/11/455787111.db2.gz QLAZMVIZIBVUCR-ZDUSSCGKSA-N 0 3 342.395 3.208 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+]C[C@](C)(O)c2ccco2)c1[O-] ZINC000271869295 455793287 /nfs/dbraw/zinc/79/32/87/455793287.db2.gz WZQULRAPXCDDQD-HNNXBMFYSA-N 0 3 340.217 3.053 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@@H]2C[C@H](C)O)c1[O-] ZINC000271902594 455797778 /nfs/dbraw/zinc/79/77/78/455797778.db2.gz ZPBJJGCUMYPPLJ-SMDDNHRTSA-N 0 3 328.250 3.198 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)c1[O-] ZINC000271902594 455797782 /nfs/dbraw/zinc/79/77/82/455797782.db2.gz ZPBJJGCUMYPPLJ-SMDDNHRTSA-N 0 3 328.250 3.198 20 10 EGCDHN COc1ccc([C@@H](CCO)NCc2ccc(N(C)C)c(C)c2)cc1 ZINC000293803586 455797915 /nfs/dbraw/zinc/79/79/15/455797915.db2.gz NOZWNKPQMBSCIQ-LJQANCHMSA-N 0 3 328.456 3.283 20 10 EGCDHN C[C@H]([NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-])C(=O)NCCF ZINC000294329488 455811302 /nfs/dbraw/zinc/81/13/02/455811302.db2.gz OWDVFXGNVQFKTB-YJBOKZPZSA-N 0 3 344.430 3.130 20 10 EGCDHN CO[C@@H](c1ccccc1F)[C@H](C)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000272112584 455850168 /nfs/dbraw/zinc/85/01/68/455850168.db2.gz XZCZJQLVJAQAAL-BBATYDOGSA-N 0 3 333.359 3.126 20 10 EGCDHN Cc1ccc(C[NH2+][C@@H](C)c2cc3c(cc2[O-])CCCC3)c(=O)n1C ZINC000279522400 455867125 /nfs/dbraw/zinc/86/71/25/455867125.db2.gz OKINDPYXGQNQEZ-AWEZNQCLSA-N 0 3 326.440 3.129 20 10 EGCDHN Cc1ccc(CN[C@@H](C)c2cc3c(cc2O)CCCC3)c(=O)n1C ZINC000279522400 455867129 /nfs/dbraw/zinc/86/71/29/455867129.db2.gz OKINDPYXGQNQEZ-AWEZNQCLSA-N 0 3 326.440 3.129 20 10 EGCDHN CC[C@H](C)N1CCN(Cc2ccc(N3CCC(OC)CC3)cc2)CC1 ZINC000296088443 455868056 /nfs/dbraw/zinc/86/80/56/455868056.db2.gz PPLKKRCFSVUQLL-SFHVURJKSA-N 0 3 345.531 3.218 20 10 EGCDHN CC[C@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1ccc(C)cc1[O-] ZINC000279945321 455878212 /nfs/dbraw/zinc/87/82/12/455878212.db2.gz BLEFWRJFNBRNNN-KRWDZBQOSA-N 0 3 348.468 3.313 20 10 EGCDHN CS[C@H](CO)[C@H](C)[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000187230914 455884507 /nfs/dbraw/zinc/88/45/07/455884507.db2.gz HIKVDNAIJINYGZ-GBIKHYSHSA-N 0 3 348.306 3.226 20 10 EGCDHN CCOc1cccc(CN[C@H](C)c2ccc([S@@](C)=O)cc2)c1O ZINC000270208054 455902166 /nfs/dbraw/zinc/90/21/66/455902166.db2.gz ZTZCXMFNPTWWSD-JCQPUDPBSA-N 0 3 333.453 3.379 20 10 EGCDHN CC[C@H]([NH2+]CCNC(=O)c1ccccc1F)c1ccc(C)cc1[O-] ZINC000280247373 455926932 /nfs/dbraw/zinc/92/69/32/455926932.db2.gz WITMWGLHRQVNQZ-KRWDZBQOSA-N 0 3 330.403 3.310 20 10 EGCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](COc3ccccc3)C2)cc1OC ZINC000272422516 455946239 /nfs/dbraw/zinc/94/62/39/455946239.db2.gz FAKLTGKJXLFUJY-OAHLLOKOSA-N 0 3 343.423 3.310 20 10 EGCDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](COc3ccccc3)C2)cc1OC ZINC000272422516 455946246 /nfs/dbraw/zinc/94/62/46/455946246.db2.gz FAKLTGKJXLFUJY-OAHLLOKOSA-N 0 3 343.423 3.310 20 10 EGCDHN COc1cc(O)c(CN2CC[C@@H](COc3ccccc3)C2)cc1OC ZINC000272422516 455946251 /nfs/dbraw/zinc/94/62/51/455946251.db2.gz FAKLTGKJXLFUJY-OAHLLOKOSA-N 0 3 343.423 3.310 20 10 EGCDHN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(Cl)nc1 ZINC000270493463 455968445 /nfs/dbraw/zinc/96/84/45/455968445.db2.gz MJSSRJUWGQNPOA-CQSZACIVSA-N 0 3 331.847 3.422 20 10 EGCDHN COC(=O)Nc1ccc(CC[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000296713899 456016996 /nfs/dbraw/zinc/01/69/96/456016996.db2.gz IIDQXLUOXICNNF-MRXNPFEDSA-N 0 3 326.396 3.390 20 10 EGCDHN C[S@@](=O)C1(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCC1 ZINC000280683820 456031190 /nfs/dbraw/zinc/03/11/90/456031190.db2.gz QYNHFECGMPCCJE-HSZRJFAPSA-N 0 3 329.465 3.450 20 10 EGCDHN CCN(Cc1ccc(N(C)Cc2cccs2)cc1)[C@H]1CCNC1=O ZINC000297039198 456099490 /nfs/dbraw/zinc/09/94/90/456099490.db2.gz XVHOZFWSQOHUNM-SFHVURJKSA-N 0 3 343.496 3.095 20 10 EGCDHN CCOc1ccc(O)c(CN(CCCOC)Cc2ccncc2)c1 ZINC000289536162 456128570 /nfs/dbraw/zinc/12/85/70/456128570.db2.gz WKWSLXMFPVASJR-UHFFFAOYSA-N 0 3 330.428 3.225 20 10 EGCDHN CCOc1cccc(CNCc2cc(C)nc(N3CCCC3)c2)c1O ZINC000289871835 456162563 /nfs/dbraw/zinc/16/25/63/456162563.db2.gz RFECWXAPMWTAFE-UHFFFAOYSA-N 0 3 341.455 3.384 20 10 EGCDHN CCCCCC(=O)NC1CCN(Cc2cccc(OCC)c2O)CC1 ZINC000271196525 456166461 /nfs/dbraw/zinc/16/64/61/456166461.db2.gz UVCPMWHZYIGXJK-UHFFFAOYSA-N 0 3 348.487 3.452 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]CC1=CCCOC1 ZINC000290074173 456233634 /nfs/dbraw/zinc/23/36/34/456233634.db2.gz GASZZLRJBGDVFQ-UHFFFAOYSA-N 0 3 325.408 3.408 20 10 EGCDHN C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1)c1cc(F)ccc1[O-] ZINC000273514689 456236626 /nfs/dbraw/zinc/23/66/26/456236626.db2.gz SFLWKUQUQLKPMN-XJKSGUPXSA-N 0 3 344.434 3.240 20 10 EGCDHN CCOCc1cc(CN[C@@H]2C[C@H](OCC)[C@]23CCCO3)ccc1OC ZINC000273535533 456237780 /nfs/dbraw/zinc/23/77/80/456237780.db2.gz ALENFDVUMVKLOE-AABGKKOBSA-N 0 3 349.471 3.048 20 10 EGCDHN C[C@H]([NH2+]CCc1cn2c(n1)SCC2)c1cc2c(cc1[O-])CCCC2 ZINC000274425230 456259149 /nfs/dbraw/zinc/25/91/49/456259149.db2.gz UUBATUOJMBKVGL-ZDUSSCGKSA-N 0 3 343.496 3.467 20 10 EGCDHN Cc1ccc([O-])c(C[NH+]2CCC(Oc3cncc(Cl)n3)CC2)c1 ZINC000275125908 456270342 /nfs/dbraw/zinc/27/03/42/456270342.db2.gz JDPDWIVUIHQQRB-UHFFFAOYSA-N 0 3 333.819 3.187 20 10 EGCDHN Cc1ccc(O)c(CN2CCC(Oc3cncc(Cl)n3)CC2)c1 ZINC000275125908 456270345 /nfs/dbraw/zinc/27/03/45/456270345.db2.gz JDPDWIVUIHQQRB-UHFFFAOYSA-N 0 3 333.819 3.187 20 10 EGCDHN COc1cccc(C[NH2+]C[C@@H]2CCN(c3ccccc3F)C2)c1[O-] ZINC000291006862 456494182 /nfs/dbraw/zinc/49/41/82/456494182.db2.gz DGCJZAMJFKUNAP-AWEZNQCLSA-N 0 3 330.403 3.156 20 10 EGCDHN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000283536029 456798525 /nfs/dbraw/zinc/79/85/25/456798525.db2.gz GSNSBQJINVRVFH-NVXWUHKLSA-N 0 3 345.487 3.329 20 10 EGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CC1(N2CCOCC2)CC1 ZINC000277480551 456839519 /nfs/dbraw/zinc/83/95/19/456839519.db2.gz MBDICRNEAXBQMM-UHFFFAOYSA-N 0 3 338.451 3.014 20 10 EGCDHN CCN(C)c1ccc([C@@H](C)N[C@@H]2CCCc3c2cnn3CCO)cc1 ZINC000363832463 457454335 /nfs/dbraw/zinc/45/43/35/457454335.db2.gz SDNNZWVESWQRHS-DNVCBOLYSA-N 0 3 342.487 3.060 20 10 EGCDHN COc1cccc(C[NH2+][C@H]2CCN([C@@H](C)c3ccccc3)C2)c1[O-] ZINC000369037431 458071933 /nfs/dbraw/zinc/07/19/33/458071933.db2.gz XEWKVMGCJNVBBZ-YJBOKZPZSA-N 0 3 326.440 3.326 20 10 EGCDHN CCN1CCC[C@H]1CN(C)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472231893 458776875 /nfs/dbraw/zinc/77/68/75/458776875.db2.gz HWTQGSYPSWBSJF-INIZCTEOSA-N 0 3 342.487 3.112 20 10 EGCDHN O=C(/C=C/c1cncs1)N(CCN1CCCC1)c1ccccc1 ZINC000492951933 459727574 /nfs/dbraw/zinc/72/75/74/459727574.db2.gz KTRTYJZGMHOSQB-CMDGGOBGSA-N 0 3 327.453 3.285 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](Cc2ccc(F)cc2)OC)c1 ZINC000528435730 459806950 /nfs/dbraw/zinc/80/69/50/459806950.db2.gz DGGCMPPXRDHJCX-SUMWQHHRSA-N 0 3 333.403 3.448 20 10 EGCDHN CC(C)[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)N1CCCCC1 ZINC000729350107 574845665 /nfs/dbraw/zinc/84/56/65/574845665.db2.gz WXECLYSQBUJPKR-SFHVURJKSA-N 0 3 335.467 3.018 20 10 EGCDHN Cc1cc(C(=O)NC[C@H]2CCCN(C)C2)c(C)n1-c1cccc(C)c1 ZINC000731025981 575045458 /nfs/dbraw/zinc/04/54/58/575045458.db2.gz SVQXXUIARZFXPD-GOSISDBHSA-N 0 3 339.483 3.474 20 10 EGCDHN O=C(CN(Cc1ccccc1O)C1CCCC1)Nc1nccs1 ZINC000731846133 575212037 /nfs/dbraw/zinc/21/20/37/575212037.db2.gz UDYMKUUMZQWDIA-UHFFFAOYSA-N 0 3 331.441 3.232 20 10 EGCDHN Cc1csc(=O)n1CC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731847672 575212313 /nfs/dbraw/zinc/21/23/13/575212313.db2.gz LWPGUPNJGRLHTK-UHFFFAOYSA-N 0 3 332.469 3.369 20 10 EGCDHN Cc1csc(=O)n1CC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731847672 575212317 /nfs/dbraw/zinc/21/23/17/575212317.db2.gz LWPGUPNJGRLHTK-UHFFFAOYSA-N 0 3 332.469 3.369 20 10 EGCDHN CCC[C@](C)(O)CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000732820091 575290208 /nfs/dbraw/zinc/29/02/08/575290208.db2.gz DEBOBUNXXURUQD-SFHVURJKSA-N 0 3 335.448 3.226 20 10 EGCDHN O=C(CNCc1c(O)cccc1Cl)Nc1ccc(F)c(F)c1 ZINC000733323214 575327519 /nfs/dbraw/zinc/32/75/19/575327519.db2.gz PYXZQPJWAPWOSJ-UHFFFAOYSA-N 0 3 326.730 3.052 20 10 EGCDHN CC(C)[C@H]1CCCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000734150261 575443133 /nfs/dbraw/zinc/44/31/33/575443133.db2.gz UPLHBLJEYGKQBF-SFHVURJKSA-N 0 3 331.504 3.127 20 10 EGCDHN Cc1cc(NC(=O)c2cc([O-])cs2)ccc1OCC[NH+]1CCCC1 ZINC000736688167 576005830 /nfs/dbraw/zinc/00/58/30/576005830.db2.gz IDRKAGTZTLATFA-UHFFFAOYSA-N 0 3 346.452 3.489 20 10 EGCDHN CCN(C)c1ccc(CN2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000741754887 576717517 /nfs/dbraw/zinc/71/75/17/576717517.db2.gz ZVSDJGZQQHHCKD-LVCYWYKZSA-N 0 3 345.531 3.216 20 10 EGCDHN COc1ccc(N2CCCN(Cc3cccc(N(C)C)c3)CC2)cc1 ZINC000743843234 576816528 /nfs/dbraw/zinc/81/65/28/576816528.db2.gz RXVPOXSRJFFBGX-UHFFFAOYSA-N 0 3 339.483 3.474 20 10 EGCDHN CCC[C@@]1(C)CCCN(CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000744429088 576827970 /nfs/dbraw/zinc/82/79/70/576827970.db2.gz QBKFVHRYPNXCSR-FQEVSTJZSA-N 0 3 331.504 3.271 20 10 EGCDHN C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820413841 607012549 /nfs/dbraw/zinc/01/25/49/607012549.db2.gz WFZYDVOZWGXOKC-KBPBESRZSA-N 0 3 336.443 3.345 20 10 EGCDHN C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820413841 607012550 /nfs/dbraw/zinc/01/25/50/607012550.db2.gz WFZYDVOZWGXOKC-KBPBESRZSA-N 0 3 336.443 3.345 20 10 EGCDHN CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1ccc(Br)cc1[O-])C2 ZINC000691673657 1298136295 /nfs/dbraw/zinc/13/62/95/1298136295.db2.gz CHIIMUYXGVHMGB-YIONKMFJSA-N 0 3 339.277 3.212 20 10 EGCDHN CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1ccc(Br)cc1[O-])C2 ZINC000691673657 1298136303 /nfs/dbraw/zinc/13/63/03/1298136303.db2.gz CHIIMUYXGVHMGB-YIONKMFJSA-N 0 3 339.277 3.212 20 10 EGCDHN Cc1ccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCOCC2)c([O-])c1 ZINC000877590836 1299418032 /nfs/dbraw/zinc/41/80/32/1299418032.db2.gz JCCGSBGGGCOUBP-FQEVSTJZSA-N 0 3 341.451 3.321 20 10 EGCDHN CC[C@@H]([NH2+]CCC(=O)NCc1ccccc1)c1ccc(C)cc1[O-] ZINC000794802136 1309598932 /nfs/dbraw/zinc/59/89/32/1309598932.db2.gz CNGXTQBFYXPBFY-GOSISDBHSA-N 0 3 326.440 3.448 20 10 EGCDHN CC[C@@H]([NH2+]C[C@@H](O)COc1cccc(F)c1)c1ccc(C)cc1[O-] ZINC000794805310 1309599076 /nfs/dbraw/zinc/59/90/76/1309599076.db2.gz WWNICRSGMBCEPO-CRAIPNDOSA-N 0 3 333.403 3.320 20 10 EGCDHN COc1ccccc1[C@@H]1CCCN1Cc1cc2c(cc1O)OCO2 ZINC000068880511 1292221247 /nfs/dbraw/zinc/22/12/47/1292221247.db2.gz QBBDZIZQNVIQEY-HNNXBMFYSA-N 0 3 327.380 3.467 20 10 EGCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COc1ccc2ccccc2c1 ZINC000111236261 1293101767 /nfs/dbraw/zinc/10/17/67/1293101767.db2.gz ONDAEWMTTQBXPB-LJQANCHMSA-N 0 3 337.419 3.417 20 10 EGCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)COc1ccc2ccccc2c1 ZINC000111236261 1293101770 /nfs/dbraw/zinc/10/17/70/1293101770.db2.gz ONDAEWMTTQBXPB-LJQANCHMSA-N 0 3 337.419 3.417 20 10 EGCDHN O=C1[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCN1c1ccccc1Cl ZINC000834645880 1293127083 /nfs/dbraw/zinc/12/70/83/1293127083.db2.gz PLYXCVHECZCSLG-GJZGRUSLSA-N 0 3 342.826 3.428 20 10 EGCDHN CC[C@H]([NH2+][C@@H]1CCO[C@@H](c2nccn2C)C1)c1ccc(C)cc1[O-] ZINC000834910217 1293173984 /nfs/dbraw/zinc/17/39/84/1293173984.db2.gz CLUSBGPKUZKNDH-UWWQBHOKSA-N 0 3 329.444 3.395 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@H](c3nccn3C)C2)c2c1c(F)ccc2[O-] ZINC000834910276 1293174125 /nfs/dbraw/zinc/17/41/25/1293174125.db2.gz CSDAVZZBGVBEOB-DSPQJCBJSA-N 0 3 345.418 3.323 20 10 EGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H](O)c1ccccc1Br)CC2 ZINC000834911955 1293175360 /nfs/dbraw/zinc/17/53/60/1293175360.db2.gz VEDOZIUJTLYBEC-GDBMZVCRSA-N 0 3 348.240 3.465 20 10 EGCDHN CC1CCN(c2ccc(CNC(=O)C3(N(C)C)CCC3)cc2)CC1 ZINC000119861387 1293291818 /nfs/dbraw/zinc/29/18/18/1293291818.db2.gz LRFXYSWMMURJDI-UHFFFAOYSA-N 0 3 329.488 3.023 20 10 EGCDHN CCn1cc([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cn1 ZINC000155326318 1294092399 /nfs/dbraw/zinc/09/23/99/1294092399.db2.gz WCQGDKNZQNRBGS-HOTGVXAUSA-N 0 3 328.460 3.151 20 10 EGCDHN C[C@H](N[C@@H](C)c1cncc(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000155339237 1294093642 /nfs/dbraw/zinc/09/36/42/1294093642.db2.gz CSZUZSCKQNXYJE-GJZGRUSLSA-N 0 3 329.419 3.469 20 10 EGCDHN CC[C@H](NCc1ccc(N2CCSCC2)cc1)c1cnn(C)c1 ZINC000163578010 1294335495 /nfs/dbraw/zinc/33/54/95/1294335495.db2.gz USZPXKQGQCDETH-SFHVURJKSA-N 0 3 330.501 3.214 20 10 EGCDHN Cc1nn(C)cc1[C@H](C)NCc1ccc(N2CCSCC2)cc1 ZINC000178204476 1294721624 /nfs/dbraw/zinc/72/16/24/1294721624.db2.gz LZVKRFRZWZNIDW-AWEZNQCLSA-N 0 3 330.501 3.133 20 10 EGCDHN COc1cc(N[C@@H]2CCC[N@H+](Cc3ccccc3[O-])C2)cc(OC)c1 ZINC000179581928 1294806729 /nfs/dbraw/zinc/80/67/29/1294806729.db2.gz GFQLHQPGJUMQHM-MRXNPFEDSA-N 0 3 342.439 3.486 20 10 EGCDHN COc1cc(N[C@@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)cc(OC)c1 ZINC000179581928 1294806741 /nfs/dbraw/zinc/80/67/41/1294806741.db2.gz GFQLHQPGJUMQHM-MRXNPFEDSA-N 0 3 342.439 3.486 20 10 EGCDHN Cc1ccc([C@H](C)NCC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000182311593 1295034435 /nfs/dbraw/zinc/03/44/35/1295034435.db2.gz OPJNXPCDJWMLSG-KRWDZBQOSA-N 0 3 339.483 3.370 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2cc(C)ccc2OC)c1 ZINC000182462616 1295050939 /nfs/dbraw/zinc/05/09/39/1295050939.db2.gz KQIVQQSXVOSFCW-ZDUSSCGKSA-N 0 3 344.411 3.007 20 10 EGCDHN Cc1cc(C)cc([C@H](C)NCC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000182896737 1295084296 /nfs/dbraw/zinc/08/42/96/1295084296.db2.gz VPYIGKQWBMUXPS-KRWDZBQOSA-N 0 3 339.483 3.336 20 10 EGCDHN C[C@@H]([NH2+][C@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccccc1[O-] ZINC000183555258 1295130591 /nfs/dbraw/zinc/13/05/91/1295130591.db2.gz WTEZKYZVBCPZBP-AEFFLSMTSA-N 0 3 338.451 3.277 20 10 EGCDHN COC(=O)COc1cccc(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])c1 ZINC000186049684 1295301334 /nfs/dbraw/zinc/30/13/34/1295301334.db2.gz BLYHLLBUBCJWQR-AWEZNQCLSA-N 0 3 329.396 3.103 20 10 EGCDHN CCOCCOCC[N@H+](C)Cc1c([O-])ccc2ccc(OC)cc21 ZINC000189234743 1295509114 /nfs/dbraw/zinc/50/91/14/1295509114.db2.gz VNKCQPUTADORAJ-UHFFFAOYSA-N 0 3 333.428 3.039 20 10 EGCDHN CCOCCOCC[N@@H+](C)Cc1c([O-])ccc2ccc(OC)cc21 ZINC000189234743 1295509127 /nfs/dbraw/zinc/50/91/27/1295509127.db2.gz VNKCQPUTADORAJ-UHFFFAOYSA-N 0 3 333.428 3.039 20 10 EGCDHN CC[NH+](CC)CCOc1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000192975627 1295823047 /nfs/dbraw/zinc/82/30/47/1295823047.db2.gz NTEFILDMWLCVAP-UHFFFAOYSA-N 0 3 344.411 3.071 20 10 EGCDHN C[C@@H](NCc1cc(N)cc(F)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000873287357 1297408939 /nfs/dbraw/zinc/40/89/39/1297408939.db2.gz CYBONIGXIBDYHB-CYBMUJFWSA-N 0 3 347.409 3.234 20 10 EGCDHN CC(C)(C)OC(=O)N[C@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)C1CC1 ZINC000383740959 1297574774 /nfs/dbraw/zinc/57/47/74/1297574774.db2.gz CEYZBSATAYCKLY-HUUCEWRRSA-N 0 3 332.444 3.272 20 10 EGCDHN CN(Cc1c([O-])cccc1Br)CC1([NH+](C)C)CCC1 ZINC000707134832 1298226536 /nfs/dbraw/zinc/22/65/36/1298226536.db2.gz KQFLIRYSBWVWMC-UHFFFAOYSA-N 0 3 327.266 3.071 20 10 EGCDHN [O-]c1ccccc1C[NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000725850323 1298376846 /nfs/dbraw/zinc/37/68/46/1298376846.db2.gz YZNMBZRFRGIVJA-OAHLLOKOSA-N 0 3 327.302 3.114 20 10 EGCDHN COCCC(C)(C)[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000747100232 1298726570 /nfs/dbraw/zinc/72/65/70/1298726570.db2.gz FFTUYBUJNZCCAA-UHFFFAOYSA-N 0 3 332.238 3.068 20 10 EGCDHN COc1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1Cn1cccn1 ZINC000876616099 1298870231 /nfs/dbraw/zinc/87/02/31/1298870231.db2.gz SBXUNHOVIMFING-UHFFFAOYSA-N 0 3 337.423 3.278 20 10 EGCDHN COc1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1Cn1cccn1 ZINC000876616099 1298870245 /nfs/dbraw/zinc/87/02/45/1298870245.db2.gz SBXUNHOVIMFING-UHFFFAOYSA-N 0 3 337.423 3.278 20 10 EGCDHN Cc1ccc(C[NH+]2CCC(C(=O)N3CCC(C)CC3)CC2)c([O-])c1 ZINC000876622261 1298875317 /nfs/dbraw/zinc/87/53/17/1298875317.db2.gz SILSQYWLOXIUDK-UHFFFAOYSA-N 0 3 330.472 3.171 20 10 EGCDHN CC1(C)CN(Cc2ccc(N3CCC(O)CC3)cc2)C(C)(C)CO1 ZINC000876746138 1298955612 /nfs/dbraw/zinc/95/56/12/1298955612.db2.gz TVZKDBUUQRDHLO-UHFFFAOYSA-N 0 3 332.488 3.037 20 10 EGCDHN Cc1cccc([O-])c1C[NH2+]C1CCN(C(=O)c2ccccc2F)CC1 ZINC000876928900 1299072432 /nfs/dbraw/zinc/07/24/32/1299072432.db2.gz QHAIGLACHSSAGP-UHFFFAOYSA-N 0 3 342.414 3.234 20 10 EGCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000876990803 1299103751 /nfs/dbraw/zinc/10/37/51/1299103751.db2.gz MMYDYEXUKPBQJY-IBGZPJMESA-N 0 3 344.430 3.003 20 10 EGCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCCSC2)c1[O-] ZINC000749110458 1299143191 /nfs/dbraw/zinc/14/31/91/1299143191.db2.gz HQJLIOSOQPOXNO-LLVKDONJSA-N 0 3 332.263 3.149 20 10 EGCDHN Cc1cccc([O-])c1C[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000877081400 1299149253 /nfs/dbraw/zinc/14/92/53/1299149253.db2.gz AFYSLPOEXHRPII-UHFFFAOYSA-N 0 3 330.394 3.455 20 10 EGCDHN C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc([O-])cs1 ZINC000749543207 1299234491 /nfs/dbraw/zinc/23/44/91/1299234491.db2.gz LGKNBWZXJTXWBJ-CZUORRHYSA-N 0 3 330.453 3.094 20 10 EGCDHN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc([O-])cs1 ZINC000749543207 1299234497 /nfs/dbraw/zinc/23/44/97/1299234497.db2.gz LGKNBWZXJTXWBJ-CZUORRHYSA-N 0 3 330.453 3.094 20 10 EGCDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C1=CC(=O)CS1 ZINC000749543207 1299234503 /nfs/dbraw/zinc/23/45/03/1299234503.db2.gz LGKNBWZXJTXWBJ-CZUORRHYSA-N 0 3 330.453 3.094 20 10 EGCDHN Cc1ccc(C[NH+]2CCC(O)(Cc3ccc(F)cc3)CC2)c([O-])c1 ZINC000877409208 1299286774 /nfs/dbraw/zinc/28/67/74/1299286774.db2.gz ZKBQWFRCUBOKSW-UHFFFAOYSA-N 0 3 329.415 3.409 20 10 EGCDHN Cc1ccc(C[NH2+]C[C@@H](CO)Cc2cc(F)c(F)c(F)c2)c([O-])c1 ZINC000877479076 1299329625 /nfs/dbraw/zinc/32/96/25/1299329625.db2.gz RWZVHDWPNRQUCG-ZDUSSCGKSA-N 0 3 339.357 3.059 20 10 EGCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000877504747 1299355121 /nfs/dbraw/zinc/35/51/21/1299355121.db2.gz REXMSBDFBRLHMV-MRXNPFEDSA-N 0 3 336.229 3.286 20 10 EGCDHN Cc1ccc(C(=O)NC2CC[NH+](Cc3c(C)cccc3[O-])CC2)cc1 ZINC000877672292 1299468467 /nfs/dbraw/zinc/46/84/67/1299468467.db2.gz APFOZEHZCFMWGR-UHFFFAOYSA-N 0 3 338.451 3.403 20 10 EGCDHN [O-]c1ccccc1C[N@H+](CCCOC(F)(F)F)C[C@H]1CCCO1 ZINC000878241562 1299855519 /nfs/dbraw/zinc/85/55/19/1299855519.db2.gz WOBQEWXNDYMMEP-CQSZACIVSA-N 0 3 333.350 3.300 20 10 EGCDHN [O-]c1ccccc1C[N@@H+](CCCOC(F)(F)F)C[C@H]1CCCO1 ZINC000878241562 1299855532 /nfs/dbraw/zinc/85/55/32/1299855532.db2.gz WOBQEWXNDYMMEP-CQSZACIVSA-N 0 3 333.350 3.300 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)c2c1c(F)ccc2[O-] ZINC000756737934 1300556263 /nfs/dbraw/zinc/55/62/63/1300556263.db2.gz HZAOOTSJGDUZAA-UHXUPSOCSA-N 0 3 341.448 3.025 20 10 EGCDHN Cc1ccc(NC(=O)NC(=O)C[NH2+][C@H](C)c2ccccc2[O-])cc1C ZINC000879648325 1300647972 /nfs/dbraw/zinc/64/79/72/1300647972.db2.gz JZKRPOCFKPIKRQ-CQSZACIVSA-N 0 3 341.411 3.008 20 10 EGCDHN COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2[O-])c(OC)c1 ZINC000879649039 1300648931 /nfs/dbraw/zinc/64/89/31/1300648931.db2.gz JYYAEVHXDVMKTG-OLZOCXBDSA-N 0 3 344.411 3.087 20 10 EGCDHN C[C@@H]([NH2+]C[C@H](O)CO[C@H]1CCCc2ccccc21)c1ccccc1[O-] ZINC000879649292 1300649007 /nfs/dbraw/zinc/64/90/07/1300649007.db2.gz PXVNOFUSYNMFDO-KUDFPVQQSA-N 0 3 341.451 3.498 20 10 EGCDHN COc1cccc([O-])c1C[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000760647381 1301314072 /nfs/dbraw/zinc/31/40/72/1301314072.db2.gz LSTJAWBGDRMUIR-UHFFFAOYSA-N 0 3 327.424 3.321 20 10 EGCDHN COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000761202478 1301419642 /nfs/dbraw/zinc/41/96/42/1301419642.db2.gz ZHRACDQTIRCONM-GUYCJALGSA-N 0 3 341.835 3.266 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCC2CC(O)C2)c1[O-] ZINC000762649129 1301720959 /nfs/dbraw/zinc/72/09/59/1301720959.db2.gz MBLLWFGTWHLXHL-ZBOXLXRLSA-N 0 3 328.250 3.275 20 10 EGCDHN COc1cc(CN2CCC([C@@](C)(O)C(F)(F)F)CC2)c(O)cc1C ZINC000767505116 1302695840 /nfs/dbraw/zinc/69/58/40/1302695840.db2.gz LUVJLDZUOBIAJA-MRXNPFEDSA-N 0 3 347.377 3.235 20 10 EGCDHN CCOc1ccc(O)c(CN(C)Cc2ccc3c(c2)OCCO3)c1 ZINC000768182133 1302846037 /nfs/dbraw/zinc/84/60/37/1302846037.db2.gz DYMIGYBRUGDYDW-UHFFFAOYSA-N 0 3 329.396 3.194 20 10 EGCDHN COc1cc(CN2CCN(c3cccc(C)c3)CC2)c(O)cc1C ZINC000768441826 1302904609 /nfs/dbraw/zinc/90/46/09/1302904609.db2.gz KUOSWPKYSZQMCP-UHFFFAOYSA-N 0 3 326.440 3.340 20 10 EGCDHN COC[C@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000769399498 1303106052 /nfs/dbraw/zinc/10/60/52/1303106052.db2.gz SQPQPPHCHOHUIO-INIZCTEOSA-N 0 3 333.432 3.053 20 10 EGCDHN CCOC(=O)N1CC[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000769938716 1303195779 /nfs/dbraw/zinc/19/57/79/1303195779.db2.gz HEUKQOPXBYXUCB-GOSISDBHSA-N 0 3 340.423 3.380 20 10 EGCDHN COC(=O)CCCN(Cc1ccccc1)Cc1c(O)cccc1OC ZINC000770346231 1303251246 /nfs/dbraw/zinc/25/12/46/1303251246.db2.gz DUVGRFHEVYUWCZ-UHFFFAOYSA-N 0 3 343.423 3.356 20 10 EGCDHN C[C@@H](NCc1ccc(N2CCC(C(N)=O)CC2)cc1)c1ccsc1 ZINC000886746880 1303582493 /nfs/dbraw/zinc/58/24/93/1303582493.db2.gz DZDVIDINEWQMRH-CQSZACIVSA-N 0 3 343.496 3.301 20 10 EGCDHN COc1ccc(O)c([C@@H](C)N[C@H](C)C(=O)c2c[nH]c3ncccc23)c1 ZINC000775371161 1303949051 /nfs/dbraw/zinc/94/90/51/1303949051.db2.gz UYXQKYMXQKNLEY-VXGBXAGGSA-N 0 3 339.395 3.199 20 10 EGCDHN CC[C@@H]([NH2+]C[C@H](C)N1CCN(CC)CC1)c1cc(Cl)ccc1[O-] ZINC000775486449 1303972140 /nfs/dbraw/zinc/97/21/40/1303972140.db2.gz BCUUCJLQLAEZNE-WMLDXEAASA-N 0 3 339.911 3.112 20 10 EGCDHN COc1ccc(F)cc1CN1CCN(Cc2cccc(C)c2O)CC1 ZINC000775646215 1304003833 /nfs/dbraw/zinc/00/38/33/1304003833.db2.gz IUKOMURPXAEVJT-UHFFFAOYSA-N 0 3 344.430 3.166 20 10 EGCDHN C[C@@H](N[C@@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000775830694 1304045033 /nfs/dbraw/zinc/04/50/33/1304045033.db2.gz MMSIDBRZCGHWKU-CYJAXWMASA-N 0 3 331.504 3.487 20 10 EGCDHN COc1cc(Br)cc(C[NH2+][C@@H](C)[C@@H]2CCCOC2)c1[O-] ZINC000779985379 1304628788 /nfs/dbraw/zinc/62/87/88/1304628788.db2.gz COTPYSZUYWDOMD-WDEREUQCSA-N 0 3 344.249 3.068 20 10 EGCDHN CSc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC000891252749 1305000971 /nfs/dbraw/zinc/00/09/71/1305000971.db2.gz NLZIRTOWDZORRL-OAHLLOKOSA-N 0 3 347.484 3.100 20 10 EGCDHN CCN(Cc1ccc2c(c1)OCO2)Cc1ccc(OC)c(OC)c1O ZINC000891512282 1305073816 /nfs/dbraw/zinc/07/38/16/1305073816.db2.gz LPLKCYVSZIMMOR-UHFFFAOYSA-N 0 3 345.395 3.160 20 10 EGCDHN COC[C@@H]1CN(Cc2cc(-c3ccccc3)ccc2O)C[C@H](C)O1 ZINC000784666847 1305269776 /nfs/dbraw/zinc/26/97/76/1305269776.db2.gz AUUBZXJQASEWRN-KXBFYZLASA-N 0 3 327.424 3.295 20 10 EGCDHN COC(=O)[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])[C@@H]1C ZINC000787421150 1305743552 /nfs/dbraw/zinc/74/35/52/1305743552.db2.gz NVFNFLUAJJMVKD-KDOFPFPSSA-N 0 3 325.408 3.443 20 10 EGCDHN COC(=O)[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])[C@@H]1C ZINC000787421150 1305743560 /nfs/dbraw/zinc/74/35/60/1305743560.db2.gz NVFNFLUAJJMVKD-KDOFPFPSSA-N 0 3 325.408 3.443 20 10 EGCDHN CC(C)OCC[C@H](O)CN(Cc1ccco1)Cc1ccccc1O ZINC000788275599 1305913641 /nfs/dbraw/zinc/91/36/41/1305913641.db2.gz OAWFOMQQICTUCB-KRWDZBQOSA-N 0 3 333.428 3.163 20 10 EGCDHN COCc1ccc([C@@H]2CCCN2Cc2ccc(OC)c(OC)c2O)o1 ZINC000893642929 1306002199 /nfs/dbraw/zinc/00/21/99/1306002199.db2.gz RBBVDUYTAOXKCQ-HNNXBMFYSA-N 0 3 347.411 3.486 20 10 EGCDHN COc1ccc(CN[C@H]2CCOc3c(F)cccc32)c(O)c1OC ZINC000893912002 1306126843 /nfs/dbraw/zinc/12/68/43/1306126843.db2.gz YLMUNMKKHWNIJE-AWEZNQCLSA-N 0 3 333.359 3.162 20 10 EGCDHN CCOc1ccc(C[NH2+][C@@H](CN(C)C)c2ccc(OC)cc2)c([O-])c1 ZINC000790651085 1306368648 /nfs/dbraw/zinc/36/86/48/1306368648.db2.gz CDEMLFVDODNTCB-IBGZPJMESA-N 0 3 344.455 3.192 20 10 EGCDHN COc1cc(Br)cc(CN2CCC[C@H](CF)C2)c1O ZINC000895545077 1309392716 /nfs/dbraw/zinc/39/27/16/1309392716.db2.gz AQFJOPIUURJBIZ-SNVBAGLBSA-N 0 3 332.213 3.345 20 10 EGCDHN CCOc1ccc(O)c(CN2CCN(C)[C@@H](Cc3ccccc3)C2)c1 ZINC000793620653 1309419062 /nfs/dbraw/zinc/41/90/62/1309419062.db2.gz QSVWIUCEGHWRLG-IBGZPJMESA-N 0 3 340.467 3.150 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+]CC2(S(C)(=O)=O)CCCC2)c2c1c(F)ccc2[O-] ZINC000797102514 1310140965 /nfs/dbraw/zinc/14/09/65/1310140965.db2.gz PGCZTQITTVGSFK-YPMHNXCESA-N 0 3 341.448 3.027 20 10 EGCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccccc1 ZINC000801595874 1310971454 /nfs/dbraw/zinc/97/14/54/1310971454.db2.gz UWMAEJCFPIVCAD-SFHVURJKSA-N 0 3 329.440 3.434 20 10 EGCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccccc1 ZINC000801595874 1310971463 /nfs/dbraw/zinc/97/14/63/1310971463.db2.gz UWMAEJCFPIVCAD-SFHVURJKSA-N 0 3 329.440 3.434 20 10 EGCDHN C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccc(Br)cc2[O-])C1 ZINC000825935595 1320372202 /nfs/dbraw/zinc/37/22/02/1320372202.db2.gz YLLGZRMJPNCKGK-DOMZBBRYSA-N 0 3 339.277 3.071 20 10 EGCDHN C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccc(Br)cc2[O-])C1 ZINC000825935595 1320372206 /nfs/dbraw/zinc/37/22/06/1320372206.db2.gz YLLGZRMJPNCKGK-DOMZBBRYSA-N 0 3 339.277 3.071 20 10 EGCDHN COc1ccccc1OCCNCc1cc(F)c(N(C)C)cc1F ZINC000858087923 1328678945 /nfs/dbraw/zinc/67/89/45/1328678945.db2.gz WLNHENQWUUEFPH-UHFFFAOYSA-N 0 3 336.382 3.208 20 10 EGCDHN CN(C)c1cc(F)c(CNC[C@](C)(O)c2ccsc2)cc1F ZINC000858142907 1328694880 /nfs/dbraw/zinc/69/48/80/1328694880.db2.gz QSNPEQQGYJNJMB-INIZCTEOSA-N 0 3 326.412 3.090 20 10 EGCDHN CCOCC(C)(C)C[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000808450288 1317679108 /nfs/dbraw/zinc/67/91/08/1317679108.db2.gz NKBUIGXBQDKVFI-UHFFFAOYSA-N 0 3 346.265 3.316 20 10 EGCDHN C[C@@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccccc1[O-] ZINC000903448312 1317702019 /nfs/dbraw/zinc/70/20/19/1317702019.db2.gz MYDDFCGPHTXZHO-BEFAXECRSA-N 0 3 327.472 3.412 20 10 EGCDHN C[C@@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)c1ccccc1[O-] ZINC000903480630 1317705814 /nfs/dbraw/zinc/70/58/14/1317705814.db2.gz YVISFCAEPOPRDR-GHMZBOCLSA-N 0 3 336.233 3.017 20 10 EGCDHN COC(=O)N1CCC[C@H]([NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])C1 ZINC000808690041 1317716221 /nfs/dbraw/zinc/71/62/21/1317716221.db2.gz IZVACQPPOFQUBG-YPMHNXCESA-N 0 3 326.824 3.235 20 10 EGCDHN CC(C)OC[C@@H](CO)[N@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000809768341 1317896677 /nfs/dbraw/zinc/89/66/77/1317896677.db2.gz IOMWNQJRPPFYPZ-LJQANCHMSA-N 0 3 329.440 3.277 20 10 EGCDHN CC(C)OC[C@@H](CO)[N@@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000809768341 1317896679 /nfs/dbraw/zinc/89/66/79/1317896679.db2.gz IOMWNQJRPPFYPZ-LJQANCHMSA-N 0 3 329.440 3.277 20 10 EGCDHN CC[C@]1(C[NH2+]Cc2c([O-])cccc2OC)OCCc2ccccc21 ZINC000810160116 1317965861 /nfs/dbraw/zinc/96/58/61/1317965861.db2.gz UVFFZVAJLRAOEY-HXUWFJFHSA-N 0 3 327.424 3.369 20 10 EGCDHN CC1(C[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])OCCO1 ZINC000815600513 1319025754 /nfs/dbraw/zinc/02/57/54/1319025754.db2.gz WHCUBQLYWUVZRY-GOSISDBHSA-N 0 3 327.424 3.419 20 10 EGCDHN NC(=O)CC1(C[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])CC1 ZINC000817586213 1319406425 /nfs/dbraw/zinc/40/64/25/1319406425.db2.gz MEXUUGRDGVUADG-GOSISDBHSA-N 0 3 338.451 3.311 20 10 EGCDHN C[C@H]([NH2+]C[C@H]1CCCCN1)c1cc(Br)c(F)cc1[O-] ZINC000817949842 1319473241 /nfs/dbraw/zinc/47/32/41/1319473241.db2.gz NZORIFPIRSFFLM-VHSXEESVSA-N 0 3 331.229 3.087 20 10 EGCDHN C[C@H](NC[C@H]1CCCC[NH2+]1)c1cc(Br)c(F)cc1[O-] ZINC000817949842 1319473248 /nfs/dbraw/zinc/47/32/48/1319473248.db2.gz NZORIFPIRSFFLM-VHSXEESVSA-N 0 3 331.229 3.087 20 10 EGCDHN CCCNCC[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000817963617 1319479536 /nfs/dbraw/zinc/47/95/36/1319479536.db2.gz WHOPNHIXRODOOW-SECBINFHSA-N 0 3 335.673 3.458 20 10 EGCDHN COc1ccc(N2CC[C@H](C[NH2+]Cc3c([O-])cccc3OC)C2)cc1 ZINC000818219076 1319521178 /nfs/dbraw/zinc/52/11/78/1319521178.db2.gz BFQVTKJUURMTKD-OAHLLOKOSA-N 0 3 342.439 3.026 20 10 EGCDHN COc1ccc(N2CC[C@@H](CNCc3cccnc3Cl)C2)cc1 ZINC000818220439 1319521318 /nfs/dbraw/zinc/52/13/18/1319521318.db2.gz KJRIKXRMJGMHGD-AWEZNQCLSA-N 0 3 331.847 3.360 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+][C@@H](COC(N)=O)Cc2ccccc2)c([O-])c1 ZINC000840866793 1321164997 /nfs/dbraw/zinc/16/49/97/1321164997.db2.gz ZUINJOOQZWFDKT-GOEBONIOSA-N 0 3 328.412 3.472 20 10 EGCDHN C[C@@H]([NH2+][C@@H](COC(N)=O)Cc1ccccc1)c1cc(F)ccc1[O-] ZINC000840865006 1321165034 /nfs/dbraw/zinc/16/50/34/1321165034.db2.gz SLSBQRUXLKQPQP-IUODEOHRSA-N 0 3 332.375 3.303 20 10 EGCDHN CC1(C)C[C@@H]([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CO1 ZINC000841863252 1321323867 /nfs/dbraw/zinc/32/38/67/1321323867.db2.gz KGGFCTXWGBBYLR-HZPDHXFCSA-N 0 3 338.879 3.167 20 10 EGCDHN Fc1cc(CN2CCC(OC3CCC3)CC2)ccc1N1CCOCC1 ZINC000841888711 1321326182 /nfs/dbraw/zinc/32/61/82/1321326182.db2.gz ODCSEQJSHYYOEO-UHFFFAOYSA-N 0 3 348.462 3.196 20 10 EGCDHN COc1cccc([C@H](C)NC2(c3ccc4c(c3)OCO4)CC2)c1O ZINC000846161138 1321773040 /nfs/dbraw/zinc/77/30/40/1321773040.db2.gz UVRJWLOSXLHNOL-LBPRGKRZSA-N 0 3 327.380 3.469 20 10 EGCDHN COc1ccc(CNCc2ccc(N3CCC(O)CC3)cc2)cc1F ZINC000850406096 1322240433 /nfs/dbraw/zinc/24/04/33/1322240433.db2.gz RFBINAGKWKQGNN-UHFFFAOYSA-N 0 3 344.430 3.085 20 10 EGCDHN C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1cncc(F)c1 ZINC000850406320 1322240836 /nfs/dbraw/zinc/24/08/36/1322240836.db2.gz BHIAIMJTOHUGEU-CQSZACIVSA-N 0 3 329.419 3.033 20 10 EGCDHN CC[C@@H](NCc1ccc2c(c1)CCCO2)C(=O)NCc1cccs1 ZINC000922211137 1322479547 /nfs/dbraw/zinc/47/95/47/1322479547.db2.gz UYZOKYIRQZKCBL-QGZVFWFLSA-N 0 3 344.480 3.258 20 10 EGCDHN C[C@@H]([NH2+]CC1(N)CCCC1)c1cc(Br)cc(F)c1[O-] ZINC000854222032 1325230630 /nfs/dbraw/zinc/23/06/30/1325230630.db2.gz BUKMYVJQQJTEJT-SECBINFHSA-N 0 3 331.229 3.216 20 10 EGCDHN COc1ccc(N2CC[C@H](CN[C@H](C)c3cn(C(C)C)nn3)C2)cc1 ZINC000926613095 1327635883 /nfs/dbraw/zinc/63/58/83/1327635883.db2.gz SDMKQAWUTXODBJ-HZPDHXFCSA-N 0 3 343.475 3.045 20 10 EGCDHN CCOCCOCC[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000927086109 1327853290 /nfs/dbraw/zinc/85/32/90/1327853290.db2.gz CYUJQNYDJPJJQV-LBPRGKRZSA-N 0 3 346.265 3.167 20 10 EGCDHN COC(=O)c1cnc(C2CC[NH+](Cc3ccccc3[O-])CC2)s1 ZINC000862474428 1329489153 /nfs/dbraw/zinc/48/91/53/1329489153.db2.gz SUCMRMAIAQRILT-UHFFFAOYSA-N 0 3 332.425 3.015 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]Cc2ccc(N(C)C(C)=O)cc2)c1[O-] ZINC000862486309 1329491093 /nfs/dbraw/zinc/49/10/93/1329491093.db2.gz XJEUPYQIHCQJLB-UHFFFAOYSA-N 0 3 348.830 3.327 20 10 EGCDHN COc1cc(CN[C@H](C)[C@H](O)C(F)(F)F)c(O)c(C(C)(C)C)c1 ZINC000865710395 1329731557 /nfs/dbraw/zinc/73/15/57/1329731557.db2.gz BMAIPJWSJXILRN-OTYXRUKQSA-N 0 3 335.366 3.100 20 10 EGCDHN C[C@@H]([NH2+]Cc1ccnc(N2CCSCC2)c1)c1cc(F)ccc1[O-] ZINC000866474051 1330116814 /nfs/dbraw/zinc/11/68/14/1330116814.db2.gz KGAINWCANGYEEP-CYBMUJFWSA-N 0 3 347.459 3.330 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccnc(N3CCSCC3)c2)c([O-])c1 ZINC000866473977 1330116885 /nfs/dbraw/zinc/11/68/85/1330116885.db2.gz JHCJYVHVRDAMTP-HNNXBMFYSA-N 0 3 343.496 3.500 20 10 EGCDHN CCC[N@H+](CCCN(C)C)Cc1c([O-])cc(Br)cc1F ZINC001233030582 1376556492 /nfs/dbraw/zinc/55/64/92/1376556492.db2.gz ZHGFJXDYWJDZPH-UHFFFAOYSA-N 0 3 347.272 3.458 20 10 EGCDHN CCC[N@@H+](CCCN(C)C)Cc1c([O-])cc(Br)cc1F ZINC001233030582 1376556498 /nfs/dbraw/zinc/55/64/98/1376556498.db2.gz ZHGFJXDYWJDZPH-UHFFFAOYSA-N 0 3 347.272 3.458 20 10 EGCDHN CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3[O-])C[C@@H]2C1 ZINC001203555718 1370168410 /nfs/dbraw/zinc/16/84/10/1370168410.db2.gz DPSKSSSZBRLIDM-GOEBONIOSA-N 0 3 332.444 3.081 20 10 EGCDHN CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3[O-])C[C@@H]2C1 ZINC001203555718 1370168412 /nfs/dbraw/zinc/16/84/12/1370168412.db2.gz DPSKSSSZBRLIDM-GOEBONIOSA-N 0 3 332.444 3.081 20 10 EGCDHN COc1ccc(C[NH+]2CCC3(Cc4ccccc4O3)CC2)c([O-])c1 ZINC001203629011 1370193313 /nfs/dbraw/zinc/19/33/13/1370193313.db2.gz NPMMMRWOKWLYDH-UHFFFAOYSA-N 0 3 325.408 3.371 20 10 EGCDHN COC(=O)[C@H]1CC[N@H+](Cc2ccc(OC)cc2[O-])[C@H]1c1ccccc1 ZINC001203634977 1370195537 /nfs/dbraw/zinc/19/55/37/1370195537.db2.gz DSGVBKFDEHKMBA-HKUYNNGSSA-N 0 3 341.407 3.137 20 10 EGCDHN COC(=O)[C@H]1CC[N@@H+](Cc2ccc(OC)cc2[O-])[C@H]1c1ccccc1 ZINC001203634977 1370195540 /nfs/dbraw/zinc/19/55/40/1370195540.db2.gz DSGVBKFDEHKMBA-HKUYNNGSSA-N 0 3 341.407 3.137 20 10 EGCDHN CC(=O)OC[C@@H]1CCC2(C1)CCN(Cc1ccc(O)c(O)c1)CC2 ZINC001203880934 1370298343 /nfs/dbraw/zinc/29/83/43/1370298343.db2.gz KCUBNGHFEULTPV-MRXNPFEDSA-N 0 3 333.428 3.043 20 10 EGCDHN Cc1cccnc1O[C@@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC001203937498 1370322779 /nfs/dbraw/zinc/32/27/79/1370322779.db2.gz SNBHVCBGPQFVRA-LJQANCHMSA-N 0 3 325.456 3.499 20 10 EGCDHN COC(=O)c1cccc(C2CC[NH+](Cc3ccc(O)cc3[O-])CC2)c1 ZINC001204279942 1370429872 /nfs/dbraw/zinc/42/98/72/1370429872.db2.gz FUKVBQWNMJEHEQ-UHFFFAOYSA-N 0 3 341.407 3.264 20 10 EGCDHN Cc1cc([O-])c(CN2CC[NH2+][C@H](Cc3ccccc3)C2)cc1Cl ZINC001210357933 1372330958 /nfs/dbraw/zinc/33/09/58/1372330958.db2.gz YJZDKMKYUIIAKZ-QGZVFWFLSA-N 0 3 330.859 3.371 20 10 EGCDHN Cc1ccccc1/N=N/c1ccc(NC(=O)[C@H]2CNCCN2)c(C)c1 ZINC001219206334 1373694069 /nfs/dbraw/zinc/69/40/69/1373694069.db2.gz WYOAJDSHPPFKEF-IUBFCHALSA-N 0 3 337.427 3.219 20 10 EGCDHN CCOC[C@H]1CN(Cc2cccc(C)c2O)Cc2cnn(CC)c21 ZINC001231592374 1376273597 /nfs/dbraw/zinc/27/35/97/1376273597.db2.gz MKFCUAXFWGLFBL-QGZVFWFLSA-N 0 3 329.444 3.053 20 10 EGCDHN CCOC[C@@H]1CN(Cc2c(C)cc(C)cc2O)Cc2cnn(CC)c21 ZINC001231845273 1376325673 /nfs/dbraw/zinc/32/56/73/1376325673.db2.gz WWZXTUMLMWRGQE-KRWDZBQOSA-N 0 3 343.471 3.361 20 10 EGCDHN Cc1ccnc(O[C@@H]2CCC[N@H+](Cc3cc(Cl)c(C)cc3[O-])C2)n1 ZINC001231871451 1376334545 /nfs/dbraw/zinc/33/45/45/1376334545.db2.gz KVDWWTWRKSNVDW-OAHLLOKOSA-N 0 3 347.846 3.496 20 10 EGCDHN Cc1ccnc(O[C@@H]2CCC[N@@H+](Cc3cc(Cl)c(C)cc3[O-])C2)n1 ZINC001231871451 1376334555 /nfs/dbraw/zinc/33/45/55/1376334555.db2.gz KVDWWTWRKSNVDW-OAHLLOKOSA-N 0 3 347.846 3.496 20 10 EGCDHN C[N@H+](Cc1ccccc1[O-])Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138339997 1377705322 /nfs/dbraw/zinc/70/53/22/1377705322.db2.gz PFOPWRMOEWHUGF-UHFFFAOYSA-N 0 3 338.451 3.429 20 10 EGCDHN C[N@@H+](Cc1ccccc1[O-])Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138339997 1377705323 /nfs/dbraw/zinc/70/53/23/1377705323.db2.gz PFOPWRMOEWHUGF-UHFFFAOYSA-N 0 3 338.451 3.429 20 10 EGCDHN CN1CCCc2cc(CN3CCCC[C@@H]3C(=O)N3CCCC3)ccc21 ZINC001138358468 1377709323 /nfs/dbraw/zinc/70/93/23/1377709323.db2.gz SNAKYGHGVNJBOB-HXUWFJFHSA-N 0 3 341.499 3.046 20 10 EGCDHN Cc1nc(C2CCN(Cc3ccc4c(c3)CCCN4C)CC2)no1 ZINC001138358478 1377709431 /nfs/dbraw/zinc/70/94/31/1377709431.db2.gz SUYPHFRHRACCRV-UHFFFAOYSA-N 0 3 326.444 3.140 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC[C@H](C(=O)OC)[C@@H]2C)c(OC)c1 ZINC001138390254 1377714355 /nfs/dbraw/zinc/71/43/55/1377714355.db2.gz QSBYVIBETGASDN-YJBOKZPZSA-N 0 3 348.487 3.315 20 10 EGCDHN COC(=O)C[C@H](C)[N@H+](Cc1ccccc1)Cc1cc(F)ccc1[O-] ZINC001140059981 1377998626 /nfs/dbraw/zinc/99/86/26/1377998626.db2.gz FAEJQPYFRAVUES-AWEZNQCLSA-N 0 3 331.387 3.485 20 10 EGCDHN COC(=O)C[C@H](C)[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1[O-] ZINC001140059981 1377998627 /nfs/dbraw/zinc/99/86/27/1377998627.db2.gz FAEJQPYFRAVUES-AWEZNQCLSA-N 0 3 331.387 3.485 20 10 EGCDHN CCOC(=O)CC[N@H+](Cc1ccccc1)Cc1cc(F)ccc1[O-] ZINC001140063097 1377999222 /nfs/dbraw/zinc/99/92/22/1377999222.db2.gz KICWCOCIDBATHC-UHFFFAOYSA-N 0 3 331.387 3.487 20 10 EGCDHN CCOC(=O)CC[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1[O-] ZINC001140063097 1377999223 /nfs/dbraw/zinc/99/92/23/1377999223.db2.gz KICWCOCIDBATHC-UHFFFAOYSA-N 0 3 331.387 3.487 20 10 EGCDHN [O-]c1cccc(Cl)c1C[NH+]1C[C@@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001140338776 1378048397 /nfs/dbraw/zinc/04/83/97/1378048397.db2.gz PEJXSPBXVSENNM-HOTGVXAUSA-N 0 3 343.858 3.004 20 10 EGCDHN CN1c2ccccc2C2(CC[NH+](Cc3cc(F)ccc3[O-])CC2)C1=O ZINC001273284663 1378094704 /nfs/dbraw/zinc/09/47/04/1378094704.db2.gz JHYYDKFZQRGTFK-UHFFFAOYSA-N 0 3 340.398 3.042 20 10 EGCDHN O=C1N(CC2CCCC2)CC[C@@]12CC[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001273284442 1378094882 /nfs/dbraw/zinc/09/48/82/1378094882.db2.gz IPAPEPZGBJQMAH-HXUWFJFHSA-N 0 3 346.446 3.146 20 10 EGCDHN O=C1N(CC2CCCC2)CC[C@@]12CC[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001273284442 1378094885 /nfs/dbraw/zinc/09/48/85/1378094885.db2.gz IPAPEPZGBJQMAH-HXUWFJFHSA-N 0 3 346.446 3.146 20 10 EGCDHN CC[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)ccc1[O-] ZINC001273285279 1378094950 /nfs/dbraw/zinc/09/49/50/1378094950.db2.gz PBJACZSEMBVALG-AUUYWEPGSA-N 0 3 334.435 3.287 20 10 EGCDHN CC[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(F)ccc1[O-] ZINC001273285279 1378094954 /nfs/dbraw/zinc/09/49/54/1378094954.db2.gz PBJACZSEMBVALG-AUUYWEPGSA-N 0 3 334.435 3.287 20 10 EGCDHN COc1ccc(CN2CCN(Cc3cc(C)ccc3O)CC2)cc1 ZINC001140621080 1378099715 /nfs/dbraw/zinc/09/97/15/1378099715.db2.gz OCSNUNSDEDFDFF-UHFFFAOYSA-N 0 3 326.440 3.027 20 10 EGCDHN Cc1ccc([C@]2(C)CN(Cc3ccc(O)c(C)c3O)CCO2)cc1 ZINC001140748443 1378129131 /nfs/dbraw/zinc/12/91/31/1378129131.db2.gz GPVCAXZIIWZDFA-FQEVSTJZSA-N 0 3 327.424 3.462 20 10 EGCDHN COC(=O)[C@H]1C[N@H+](Cc2ccc(C)cc2[O-])C[C@@H]1c1ccc(F)cc1 ZINC001140957748 1378192825 /nfs/dbraw/zinc/19/28/25/1378192825.db2.gz MLCOBRQDAWLTFL-MSOLQXFVSA-N 0 3 343.398 3.228 20 10 EGCDHN COC(=O)[C@H]1C[N@@H+](Cc2ccc(C)cc2[O-])C[C@@H]1c1ccc(F)cc1 ZINC001140957748 1378192834 /nfs/dbraw/zinc/19/28/34/1378192834.db2.gz MLCOBRQDAWLTFL-MSOLQXFVSA-N 0 3 343.398 3.228 20 10 EGCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H]2Cc2ccccn2)c(OC)c1 ZINC001141028207 1378212897 /nfs/dbraw/zinc/21/28/97/1378212897.db2.gz FXJRNXKCBXAXLA-HNNXBMFYSA-N 0 3 328.412 3.012 20 10 EGCDHN COc1cc([O-])c(C[N@H+]2CCC[C@H]2Cc2ccccn2)c(OC)c1 ZINC001141028207 1378212901 /nfs/dbraw/zinc/21/29/01/1378212901.db2.gz FXJRNXKCBXAXLA-HNNXBMFYSA-N 0 3 328.412 3.012 20 10 EGCDHN Cc1c(O)cccc1CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC001144119109 1378684704 /nfs/dbraw/zinc/68/47/04/1378684704.db2.gz UBXKHFAVGXLJOR-UHFFFAOYSA-N 0 3 326.440 3.169 20 10 EGCDHN CCOc1ccc(N2CCN(CC[C@H](O)c3ccccc3)CC2)cc1 ZINC001331331218 1389704563 /nfs/dbraw/zinc/70/45/63/1389704563.db2.gz YNNKDJAINFDLBE-NRFANRHFSA-N 0 3 340.467 3.331 20 10 EGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)C(=O)NCC(F)(F)F)c1[O-] ZINC001342935213 1390674765 /nfs/dbraw/zinc/67/47/65/1390674765.db2.gz OMBFFMIAUKOOGR-BDAKNGLRSA-N 0 3 338.757 3.072 20 10 EGCDHN CCN(C(=O)CNCc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC001350898013 1391553451 /nfs/dbraw/zinc/55/34/51/1391553451.db2.gz AMBPPIAFSFLPOA-UHFFFAOYSA-N 0 3 337.467 3.430 20 10 EGCDHN COc1ccc(CNC2(CNC(=O)C[C@H]3C=CCCC3)CC2)cc1C ZINC001754518131 1440619192 /nfs/dbraw/zinc/61/91/92/1440619192.db2.gz MRYZDOWORBJIQV-KRWDZBQOSA-N 0 3 342.483 3.488 20 10 EGCDHN C[C@H]([NH2+]CCCSc1nccs1)c1cccc(-c2nnn[n-]2)c1 ZINC000824591687 946842822 /nfs/dbraw/zinc/84/28/22/946842822.db2.gz JWTACKHUUZSTQE-NSHDSACASA-N 0 3 346.485 3.156 20 10 EGCDHN C[C@H]([NH2+]CCCSc1nccs1)c1cccc(-c2nn[n-]n2)c1 ZINC000824591687 946842835 /nfs/dbraw/zinc/84/28/35/946842835.db2.gz JWTACKHUUZSTQE-NSHDSACASA-N 0 3 346.485 3.156 20 10 EGCDHN Cc1cc(C[NH2+][C@@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1N(C)C ZINC000826266815 947771536 /nfs/dbraw/zinc/77/15/36/947771536.db2.gz CNWKKCHPTOYCLC-AWEZNQCLSA-N 0 3 336.443 3.092 20 10 EGCDHN Cc1cc(C[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1N(C)C ZINC000826266815 947771540 /nfs/dbraw/zinc/77/15/40/947771540.db2.gz CNWKKCHPTOYCLC-AWEZNQCLSA-N 0 3 336.443 3.092 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC2=CCCOC2)c1[O-] ZINC000286937967 456056653 /nfs/dbraw/zinc/05/66/53/456056653.db2.gz GSCFNZFCPDQYLT-LLVKDONJSA-N 0 3 326.234 3.460 20 10 EGCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)c1ccc(Br)cc1 ZINC000264593635 455244546 /nfs/dbraw/zinc/24/45/46/455244546.db2.gz HMYOMQYTVZCEJN-MRXNPFEDSA-N 0 3 336.229 3.320 20 10 EGCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)c1ccc(Br)cc1 ZINC000264593635 455244548 /nfs/dbraw/zinc/24/45/48/455244548.db2.gz HMYOMQYTVZCEJN-MRXNPFEDSA-N 0 3 336.229 3.320 20 10 EGCDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)c1ccccc1F)C[C@H]1CCCO1 ZINC000264730250 455271485 /nfs/dbraw/zinc/27/14/85/455271485.db2.gz QWOJCCYEAYPPHI-OXQOHEQNSA-N 0 3 345.414 3.246 20 10 EGCDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)c1ccccc1F)C[C@H]1CCCO1 ZINC000264730250 455271489 /nfs/dbraw/zinc/27/14/89/455271489.db2.gz QWOJCCYEAYPPHI-OXQOHEQNSA-N 0 3 345.414 3.246 20 10 EGCDHN CCN(CC)[C@@H](C[NH2+]Cc1cc(OC)c(OC)cc1[O-])c1ccco1 ZINC000181256043 455308523 /nfs/dbraw/zinc/30/85/23/455308523.db2.gz INQMZFCUBJWRNH-HNNXBMFYSA-N 0 3 348.443 3.175 20 10 EGCDHN C[C@@H]([NH2+][C@H]1CC(=O)N(c2c(F)cccc2F)C1)c1ccccc1[O-] ZINC000183589922 455309541 /nfs/dbraw/zinc/30/95/41/455309541.db2.gz DDURDESRZQLRNG-NEPJUHHUSA-N 0 3 332.350 3.127 20 10 EGCDHN C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccnc1 ZINC000092740579 454622048 /nfs/dbraw/zinc/62/20/48/454622048.db2.gz SZSPFTVDVKFKKY-CQSZACIVSA-N 0 3 329.419 3.033 20 10 EGCDHN Cc1ccc(C(=O)NCC[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1F ZINC000184981920 455481799 /nfs/dbraw/zinc/48/17/99/455481799.db2.gz LVOMCAIQVQVOGE-LBPRGKRZSA-N 0 3 334.366 3.059 20 10 EGCDHN CCOc1ccc(O)c(CN[C@@H](C[S@](C)=O)c2ccccc2)c1 ZINC000154739977 454925665 /nfs/dbraw/zinc/92/56/65/454925665.db2.gz QANFGVUIJNIZEB-GAJHUEQPSA-N 0 3 333.453 3.000 20 10 EGCDHN CC(C)C(=O)NCCN[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000178222468 454943515 /nfs/dbraw/zinc/94/35/15/454943515.db2.gz YUQWKQJUZDEBMR-OAHLLOKOSA-N 0 3 335.467 3.239 20 10 EGCDHN C[C@@H]([NH2+]CCCN1CCC(O)CC1)c1ccc2ccccc2c1[O-] ZINC000185116215 455504616 /nfs/dbraw/zinc/50/46/16/455504616.db2.gz ZAIDCJYISOGYEJ-OAHLLOKOSA-N 0 3 328.456 3.043 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](c2ccc(F)cc2)N(C)C)c1 ZINC000185079900 455498259 /nfs/dbraw/zinc/49/82/59/455498259.db2.gz UBWTZEUJLGOBQD-UGSOOPFHSA-N 0 3 332.419 3.493 20 10 EGCDHN CC[C@H]([NH2+]CCNc1nccc(C(F)(F)F)n1)c1ccccc1[O-] ZINC000155917025 455062208 /nfs/dbraw/zinc/06/22/08/455062208.db2.gz BQDPYHVLRJZBNO-LBPRGKRZSA-N 0 3 340.349 3.354 20 10 EGCDHN CCc1cc(N2CCC([NH2+][C@@H](CC)c3ccccc3[O-])CC2)ncn1 ZINC000156211640 455093024 /nfs/dbraw/zinc/09/30/24/455093024.db2.gz WQUUWVXHKMBMBO-SFHVURJKSA-N 0 3 340.471 3.454 20 10 EGCDHN CCOCc1cc(CNC[C@](C)(O)c2ccccc2)ccc1OC ZINC000172016153 455109525 /nfs/dbraw/zinc/10/95/25/455109525.db2.gz VNARXMNCONAIOZ-FQEVSTJZSA-N 0 3 329.440 3.229 20 10 EGCDHN Cc1cccc(CN2CCN(Cc3ccc(Cl)nc3)CC2)c1O ZINC000180324041 455157989 /nfs/dbraw/zinc/15/79/89/455157989.db2.gz MXVLLYNZDDGXLC-UHFFFAOYSA-N 0 3 331.847 3.067 20 10 EGCDHN COc1ccc([O-])c(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000180452810 455172956 /nfs/dbraw/zinc/17/29/56/455172956.db2.gz CAGOTDONQDKQOY-HXUWFJFHSA-N 0 3 341.407 3.413 20 10 EGCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)c1 ZINC000180472106 455176022 /nfs/dbraw/zinc/17/60/22/455176022.db2.gz LDRAJEJURKBZEW-QGZVFWFLSA-N 0 3 327.424 3.440 20 10 EGCDHN COc1ccc([O-])c(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)c1 ZINC000180472106 455176027 /nfs/dbraw/zinc/17/60/27/455176027.db2.gz LDRAJEJURKBZEW-QGZVFWFLSA-N 0 3 327.424 3.440 20 10 EGCDHN CC[C@H]([NH2+][C@@H]1CCN(c2ccccc2OC)C1=O)c1ccccc1[O-] ZINC000183327606 455277952 /nfs/dbraw/zinc/27/79/52/455277952.db2.gz QFPIBBXLUYXEJB-JKSUJKDBSA-N 0 3 340.423 3.247 20 10 EGCDHN C[C@@H]([NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F)c1ccccc1[O-] ZINC000183487044 455298668 /nfs/dbraw/zinc/29/86/68/455298668.db2.gz DFDIIFWSZXQMBE-MLGOLLRUSA-N 0 3 325.330 3.493 20 10 EGCDHN C[C@@H](NCC(=O)NCC1CC1)c1ccc(N2CCCCCC2)cc1 ZINC000181295378 455315031 /nfs/dbraw/zinc/31/50/31/455315031.db2.gz CSFOHIZRPURVGS-MRXNPFEDSA-N 0 3 329.488 3.244 20 10 EGCDHN CNC(=O)c1ccc(CN(C)Cc2cc(Cl)cc(OC)c2O)cc1 ZINC000184675575 455425645 /nfs/dbraw/zinc/42/56/45/455425645.db2.gz CYFIQOYDKDOWPC-UHFFFAOYSA-N 0 3 348.830 3.046 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C3(C)OCCO3)C2)c1[O-] ZINC000184744815 455440377 /nfs/dbraw/zinc/44/03/77/455440377.db2.gz FLTOMFYEKATBJA-CYBMUJFWSA-N 0 3 341.835 3.029 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C3(C)OCCO3)C2)c1[O-] ZINC000184744815 455440381 /nfs/dbraw/zinc/44/03/81/455440381.db2.gz FLTOMFYEKATBJA-CYBMUJFWSA-N 0 3 341.835 3.029 20 10 EGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](c2cccs2)N2CCOCC2)c1 ZINC000184852750 455460158 /nfs/dbraw/zinc/46/01/58/455460158.db2.gz DAYJNMZGALCGBT-RDJZCZTQSA-N 0 3 346.496 3.486 20 10 EGCDHN Cc1ccc([C@@H](C[NH2+][C@@H](C)c2cc(C)ccc2[O-])N2CCOCC2)o1 ZINC000184909335 455470149 /nfs/dbraw/zinc/47/01/49/455470149.db2.gz BCYYTFGLAJCHQK-FUHWJXTLSA-N 0 3 344.455 3.326 20 10 EGCDHN COc1ccc(O)c([C@@H](C)NCc2ccnc(N3CCCC3)c2)c1 ZINC000184973267 455479737 /nfs/dbraw/zinc/47/97/37/455479737.db2.gz DJMWEUFYPMSKMK-CQSZACIVSA-N 0 3 327.428 3.247 20 10 EGCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000246484595 455498687 /nfs/dbraw/zinc/49/86/87/455498687.db2.gz GTXZDLWDMPPADA-RXVVDRJESA-N 0 3 341.451 3.279 20 10 EGCDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000246484595 455498689 /nfs/dbraw/zinc/49/86/89/455498689.db2.gz GTXZDLWDMPPADA-RXVVDRJESA-N 0 3 341.451 3.279 20 10 EGCDHN CC[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1ccccc1[O-] ZINC000185206395 455521371 /nfs/dbraw/zinc/52/13/71/455521371.db2.gz QULXLQUKXKDCKK-HXUWFJFHSA-N 0 3 340.467 3.465 20 10 EGCDHN COc1cc(O)c(CN2CC[C@@H](Oc3cccc(F)c3)C2)cc1OC ZINC000182783485 455586015 /nfs/dbraw/zinc/58/60/15/455586015.db2.gz LACDXWGBCWGZIM-MRXNPFEDSA-N 0 3 347.386 3.202 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCCn2cnc3ccccc32)c1 ZINC000192931026 455720742 /nfs/dbraw/zinc/72/07/42/455720742.db2.gz VIRVLHBKJCQRBL-AWEZNQCLSA-N 0 3 325.412 3.491 20 10 EGCDHN CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000186373925 455755364 /nfs/dbraw/zinc/75/53/64/455755364.db2.gz UQMHMVWBRWHKNT-LBPRGKRZSA-N 0 3 337.416 3.176 20 10 EGCDHN COCCOCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000293273767 455780224 /nfs/dbraw/zinc/78/02/24/455780224.db2.gz CMTWZSYTCYYEMJ-IBGZPJMESA-N 0 3 329.440 3.319 20 10 EGCDHN COC[C@@H](CCO)[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000293267628 455780257 /nfs/dbraw/zinc/78/02/57/455780257.db2.gz CFIXYZQKZLSTKL-IEBWSBKVSA-N 0 3 329.440 3.053 20 10 EGCDHN Cc1cc(C)c([C@@H](C)NCCS(=O)(=O)c2ccccc2)c(O)c1 ZINC000293710454 455794606 /nfs/dbraw/zinc/79/46/06/455794606.db2.gz LWOKZONABGUANC-OAHLLOKOSA-N 0 3 333.453 3.134 20 10 EGCDHN C=Cn1cc(C[N@@H+](CC)Cc2cc(Br)ccc2[O-])cn1 ZINC000194052469 455795910 /nfs/dbraw/zinc/79/59/10/455795910.db2.gz TUNDANBRCSQLAG-UHFFFAOYSA-N 0 3 336.233 3.474 20 10 EGCDHN C=Cn1cc(C[N@H+](CC)Cc2cc(Br)ccc2[O-])cn1 ZINC000194052469 455795914 /nfs/dbraw/zinc/79/59/14/455795914.db2.gz TUNDANBRCSQLAG-UHFFFAOYSA-N 0 3 336.233 3.474 20 10 EGCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCCOCCO ZINC000294322204 455811621 /nfs/dbraw/zinc/81/16/21/455811621.db2.gz OKYHFEZFGRXDEW-LJQANCHMSA-N 0 3 329.440 3.055 20 10 EGCDHN COc1ccc([O-])c(C[N@H+](C[C@H](O)COc2ccccc2)C(C)C)c1 ZINC000278631758 455843006 /nfs/dbraw/zinc/84/30/06/455843006.db2.gz IHCKUPJWJRRRBD-KRWDZBQOSA-N 0 3 345.439 3.051 20 10 EGCDHN COc1ccc([O-])c(C[N@@H+](C[C@H](O)COc2ccccc2)C(C)C)c1 ZINC000278631758 455843012 /nfs/dbraw/zinc/84/30/12/455843012.db2.gz IHCKUPJWJRRRBD-KRWDZBQOSA-N 0 3 345.439 3.051 20 10 EGCDHN CN(C)c1ccc(CN(Cc2ccc(-n3ccnc3)nc2)C2CC2)cc1 ZINC000269540227 455849273 /nfs/dbraw/zinc/84/92/73/455849273.db2.gz UYHMZPQDHKMHIQ-UHFFFAOYSA-N 0 3 347.466 3.498 20 10 EGCDHN CCC[C@H]([NH2+]Cc1cc(OC)c(OC)cc1[O-])[C@H](O)c1ccccc1 ZINC000279615356 455869465 /nfs/dbraw/zinc/86/94/65/455869465.db2.gz GDOOGUAOUJWCRP-OXJNMPFZSA-N 0 3 345.439 3.401 20 10 EGCDHN CC[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)c1ccc(C)cc1[O-] ZINC000280056225 455882995 /nfs/dbraw/zinc/88/29/95/455882995.db2.gz JZCYJVRNVPPXTP-IPMKNSEASA-N 0 3 332.488 3.119 20 10 EGCDHN COC[C@H](NCc1ccc(N(C)C)cc1C(F)(F)F)[C@H]1CCCO1 ZINC000280689208 456032162 /nfs/dbraw/zinc/03/21/62/456032162.db2.gz VPBDWRDFWFWMAF-JKSUJKDBSA-N 0 3 346.393 3.055 20 10 EGCDHN COC(=O)Nc1cccc(C[NH2+][C@@H](C)c2cc(OC)ccc2[O-])c1 ZINC000287703510 456076202 /nfs/dbraw/zinc/07/62/02/456076202.db2.gz XEVOIWBHQXHTRC-LBPRGKRZSA-N 0 3 330.384 3.430 20 10 EGCDHN COC(=O)Nc1cccc(CN[C@@H](C)c2cc(OC)ccc2O)c1 ZINC000287703510 456076205 /nfs/dbraw/zinc/07/62/05/456076205.db2.gz XEVOIWBHQXHTRC-LBPRGKRZSA-N 0 3 330.384 3.430 20 10 EGCDHN C[C@@H](CN(C)C)NC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000288098303 456087426 /nfs/dbraw/zinc/08/74/26/456087426.db2.gz UKFZMKQREZNAPE-HNNXBMFYSA-N 0 3 333.476 3.187 20 10 EGCDHN O=C(NC1CC1)[C@@H]1CCC[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000271063843 456116682 /nfs/dbraw/zinc/11/66/82/456116682.db2.gz HRMMFUMUIWTEGW-IBGZPJMESA-N 0 3 336.435 3.302 20 10 EGCDHN O=C(NC1CC1)[C@@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000271063843 456116691 /nfs/dbraw/zinc/11/66/91/456116691.db2.gz HRMMFUMUIWTEGW-IBGZPJMESA-N 0 3 336.435 3.302 20 10 EGCDHN Cc1c[nH]nc1CN[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000289521943 456128622 /nfs/dbraw/zinc/12/86/22/456128622.db2.gz NVIZREIVSUXJAM-CYBMUJFWSA-N 0 3 336.386 3.078 20 10 EGCDHN C[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])[C@H]1CCOC1 ZINC000281096636 456132703 /nfs/dbraw/zinc/13/27/03/456132703.db2.gz ADGRZWRAVNDILI-QAPCUYQASA-N 0 3 327.424 3.486 20 10 EGCDHN Cc1ccc(CN2CC[C@@H]([NH2+][C@@H](C)c3ccc(C)cc3[O-])C2=O)cc1 ZINC000189080152 456220867 /nfs/dbraw/zinc/22/08/67/456220867.db2.gz AKBODNNYKMATIF-QFBILLFUSA-N 0 3 338.451 3.461 20 10 EGCDHN Cc1ccc(CN2CC[C@H](N[C@H](C)c3cc(C)ccc3O)C2=O)cc1 ZINC000189094057 456224096 /nfs/dbraw/zinc/22/40/96/456224096.db2.gz VFOBBBSELDHJLQ-APWZRJJASA-N 0 3 338.451 3.461 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)c1 ZINC000273363780 456225911 /nfs/dbraw/zinc/22/59/11/456225911.db2.gz DPLCVRZCPHVLCB-ZFWWWQNUSA-N 0 3 333.403 3.042 20 10 EGCDHN CCNC(=O)COc1cccc(C[NH2+][C@H](C)c2ccc(C)cc2[O-])c1 ZINC000273393797 456227540 /nfs/dbraw/zinc/22/75/40/456227540.db2.gz LKIBHMBCBZPCEE-OAHLLOKOSA-N 0 3 342.439 3.066 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCOc2cc(OC)cc(OC)c2)c1 ZINC000273479099 456233220 /nfs/dbraw/zinc/23/32/20/456233220.db2.gz LPYLLBZSLMNAGO-CYBMUJFWSA-N 0 3 347.411 3.148 20 10 EGCDHN O=C(NCC[NH2+][C@@H]1CCc2cccc([O-])c21)c1ccccc1Cl ZINC000297498079 456235840 /nfs/dbraw/zinc/23/58/40/456235840.db2.gz BUKUCDWUHKKFOT-OAHLLOKOSA-N 0 3 330.815 3.053 20 10 EGCDHN COc1cccc(C(=O)NCC[NH2+][C@@H](C)c2ccc(C)c(C)c2[O-])c1 ZINC000273580525 456239341 /nfs/dbraw/zinc/23/93/41/456239341.db2.gz MNZLAXXMTXMLBL-HNNXBMFYSA-N 0 3 342.439 3.098 20 10 EGCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000290176911 456259482 /nfs/dbraw/zinc/25/94/82/456259482.db2.gz NKNAPHKVPZMAPM-FQEVSTJZSA-N 0 3 329.415 3.267 20 10 EGCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000290176911 456259487 /nfs/dbraw/zinc/25/94/87/456259487.db2.gz NKNAPHKVPZMAPM-FQEVSTJZSA-N 0 3 329.415 3.267 20 10 EGCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F)CC2 ZINC000297869635 456312822 /nfs/dbraw/zinc/31/28/22/456312822.db2.gz UOGVCHSNNGZBRR-WMLDXEAASA-N 0 3 337.341 3.419 20 10 EGCDHN CCCOc1ccc(C[N@@H+]2CCC[C@@H]2CN(C(C)=O)C2CC2)c([O-])c1 ZINC000275796777 456316762 /nfs/dbraw/zinc/31/67/62/456316762.db2.gz SNVKEJONFDXQNC-GOSISDBHSA-N 0 3 346.471 3.156 20 10 EGCDHN CCCOc1ccc(C[N@H+]2CCC[C@@H]2CN(C(C)=O)C2CC2)c([O-])c1 ZINC000275796777 456316766 /nfs/dbraw/zinc/31/67/66/456316766.db2.gz SNVKEJONFDXQNC-GOSISDBHSA-N 0 3 346.471 3.156 20 10 EGCDHN COc1ccc(CC[NH2+][C@H]2CCc3cccc([O-])c32)c(OC)c1OC ZINC000297970204 456335371 /nfs/dbraw/zinc/33/53/71/456335371.db2.gz ZTUFKRXKSDJUQB-HNNXBMFYSA-N 0 3 343.423 3.238 20 10 EGCDHN COc1ccc([O-])c(C[NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C)c1 ZINC000290827070 456439635 /nfs/dbraw/zinc/43/96/35/456439635.db2.gz XKBORRVWRBFPSI-ZDUSSCGKSA-N 0 3 338.448 3.184 20 10 EGCDHN C[C@H]([NH2+][C@H]1CCN(C(=O)Nc2ccccc2)C1)c1ccccc1[O-] ZINC000282364176 456490119 /nfs/dbraw/zinc/49/01/19/456490119.db2.gz HXCCFRKBTQYYAH-HOCLYGCPSA-N 0 3 325.412 3.349 20 10 EGCDHN Cc1ccc([O-])c(C[NH2+][C@@H](C)c2ccc(N3CCCNC3=O)cc2)c1 ZINC000291073752 456518863 /nfs/dbraw/zinc/51/88/63/456518863.db2.gz MFGKQXIUGLKBGW-HNNXBMFYSA-N 0 3 339.439 3.471 20 10 EGCDHN CCCCN(Cc1ccccc1O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000283697893 456825780 /nfs/dbraw/zinc/82/57/80/456825780.db2.gz QHLHGDRABAHTGW-HNNXBMFYSA-N 0 3 333.476 3.187 20 10 EGCDHN COc1cc(Cl)cc(CN2CCC(OCC3CC3)CC2)c1O ZINC000363912515 457463179 /nfs/dbraw/zinc/46/31/79/457463179.db2.gz YBZKBNKACHXKKO-UHFFFAOYSA-N 0 3 325.836 3.445 20 10 EGCDHN COc1ccc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)c([O-])c1 ZINC000374879227 457726011 /nfs/dbraw/zinc/72/60/11/457726011.db2.gz SGBBPYLXHYKQRU-APWZRJJASA-N 0 3 340.467 3.401 20 10 EGCDHN C[C@@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)C[C@]2(CCCOC2)O1 ZINC000369100815 458081752 /nfs/dbraw/zinc/08/17/52/458081752.db2.gz QDWJJXLYXGFCFJ-QRWLVFNGSA-N 0 3 327.424 3.315 20 10 EGCDHN C[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@]2(CCCOC2)O1 ZINC000369100815 458081757 /nfs/dbraw/zinc/08/17/57/458081757.db2.gz QDWJJXLYXGFCFJ-QRWLVFNGSA-N 0 3 327.424 3.315 20 10 EGCDHN C[C@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)C[C@@]2(CCCOC2)O1 ZINC000369100813 458082400 /nfs/dbraw/zinc/08/24/00/458082400.db2.gz QDWJJXLYXGFCFJ-MGPUTAFESA-N 0 3 327.424 3.315 20 10 EGCDHN C[C@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@@]2(CCCOC2)O1 ZINC000369100813 458082406 /nfs/dbraw/zinc/08/24/06/458082406.db2.gz QDWJJXLYXGFCFJ-MGPUTAFESA-N 0 3 327.424 3.315 20 10 EGCDHN Cc1c[nH]nc1CNC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000377760295 458515611 /nfs/dbraw/zinc/51/56/11/458515611.db2.gz JHXZCWMRALHGSI-UHFFFAOYSA-N 0 3 336.386 3.078 20 10 EGCDHN Cc1c2ccccc2n(C)c1CNC(=O)c1ccccc1CN(C)C ZINC000487548996 459530798 /nfs/dbraw/zinc/53/07/98/459530798.db2.gz FANLWEASZZOUHA-UHFFFAOYSA-N 0 3 335.451 3.478 20 10 EGCDHN O=C(c1cccc2c1CCNC2)N1CCN(CC2CC2)c2ccccc21 ZINC000662748448 461363261 /nfs/dbraw/zinc/36/32/61/461363261.db2.gz USBOCABOPLEZMX-UHFFFAOYSA-N 0 3 347.462 3.209 20 10 EGCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)c1cc(OC)ccc1OC ZINC000727830723 574692890 /nfs/dbraw/zinc/69/28/90/574692890.db2.gz JUNSQAUKVJKTJO-IBGZPJMESA-N 0 3 345.439 3.355 20 10 EGCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)c1cc(OC)ccc1OC ZINC000727830723 574692893 /nfs/dbraw/zinc/69/28/93/574692893.db2.gz JUNSQAUKVJKTJO-IBGZPJMESA-N 0 3 345.439 3.355 20 10 EGCDHN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000731020304 575045026 /nfs/dbraw/zinc/04/50/26/575045026.db2.gz QSPSEDIEVXEATO-INIZCTEOSA-N 0 3 343.496 3.370 20 10 EGCDHN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCN(CC3CC3)C2)cc1 ZINC000731018448 575045171 /nfs/dbraw/zinc/04/51/71/575045171.db2.gz SXOSJIZDSLJNAD-LJQANCHMSA-N 0 3 337.467 3.308 20 10 EGCDHN CN(C)CCOc1ccc(CC[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000733328199 575328202 /nfs/dbraw/zinc/32/82/02/575328202.db2.gz KRLOJMDVTCUWSQ-UHFFFAOYSA-N 0 3 348.874 3.318 20 10 EGCDHN Cc1cc(N(C)C)ccc1CNC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000734471657 575496808 /nfs/dbraw/zinc/49/68/08/575496808.db2.gz SNUNRFUMNHUWTC-IBGZPJMESA-N 0 3 331.504 3.188 20 10 EGCDHN CCN(Cc1ccccc1)c1ccc(CNCC[S@](C)=O)cc1 ZINC000735085253 575601619 /nfs/dbraw/zinc/60/16/19/575601619.db2.gz NPVGRXIINGJCAA-QHCPKHFHSA-N 0 3 330.497 3.181 20 10 EGCDHN Cc1ccc([O-])c(C[NH2+][C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000741257814 576669431 /nfs/dbraw/zinc/66/94/31/576669431.db2.gz ZJPONUNUKLBDSF-LAUBAEHRSA-N 0 3 340.467 3.080 20 10 EGCDHN CCN(C)c1ccc(CN2CCC(CC(=O)N3CCCC3)CC2)cc1 ZINC000741754729 576717431 /nfs/dbraw/zinc/71/74/31/576717431.db2.gz WNDPNXOMKRYMKD-UHFFFAOYSA-N 0 3 343.515 3.367 20 10 EGCDHN CCN(C)c1ccc(CN2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000741754888 576717495 /nfs/dbraw/zinc/71/74/95/576717495.db2.gz ZVSDJGZQQHHCKD-UEXGIBASSA-N 0 3 345.531 3.216 20 10 EGCDHN CC[C@@H](C[C@H](C)CO)[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000743498742 576810479 /nfs/dbraw/zinc/81/04/79/576810479.db2.gz FGULZCNYDVRVOV-GWCFXTLKSA-N 0 3 346.265 3.050 20 10 EGCDHN Cc1cc(C(=O)NCCN2CC[C@@H](C)C2)c(C)n1-c1cccc(C)c1 ZINC000744795866 576834633 /nfs/dbraw/zinc/83/46/33/576834633.db2.gz OEEORBBCQUQDJN-MRXNPFEDSA-N 0 3 339.483 3.474 20 10 EGCDHN CC[C@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1ccc(C)cc1[O-] ZINC000794804532 1309598839 /nfs/dbraw/zinc/59/88/39/1309598839.db2.gz UQURUAGNSRYDTK-YJBOKZPZSA-N 0 3 333.403 3.320 20 10 EGCDHN CN(c1ccc(CNC(=O)[C@@H](N)CC(F)F)cc1)C1CCCCC1 ZINC000827821033 1292381216 /nfs/dbraw/zinc/38/12/16/1292381216.db2.gz MPWSLLNPXXLREO-INIZCTEOSA-N 0 3 339.430 3.054 20 10 EGCDHN CN(c1ccc(CNC(=O)[C@H](N)CC(F)F)cc1)C1CCCCC1 ZINC000827821034 1292381282 /nfs/dbraw/zinc/38/12/82/1292381282.db2.gz MPWSLLNPXXLREO-MRXNPFEDSA-N 0 3 339.430 3.054 20 10 EGCDHN Cc1cc(CNC(C)(C)C(=O)N2CCCC2)ccc1N1CCCCC1 ZINC000829386154 1292569782 /nfs/dbraw/zinc/56/97/82/1292569782.db2.gz YZYHPKFUPGFKCS-UHFFFAOYSA-N 0 3 343.515 3.476 20 10 EGCDHN CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(Br)c1[O-] ZINC000091892682 1292844044 /nfs/dbraw/zinc/84/40/44/1292844044.db2.gz NCTJTZUHIURRPZ-KGLIPLIRSA-N 0 3 339.277 3.213 20 10 EGCDHN CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(Br)c1[O-] ZINC000091892682 1292844061 /nfs/dbraw/zinc/84/40/61/1292844061.db2.gz NCTJTZUHIURRPZ-KGLIPLIRSA-N 0 3 339.277 3.213 20 10 EGCDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)Cc1ccc(N)cc1 ZINC000831412748 1292857938 /nfs/dbraw/zinc/85/79/38/1292857938.db2.gz WZSJHRNCWVZFHO-UHFFFAOYSA-N 0 3 345.874 3.055 20 10 EGCDHN COc1cc(Br)cc(C[N@@H+](C)[C@@H](CO)C(C)(C)C)c1[O-] ZINC000093821804 1292933548 /nfs/dbraw/zinc/93/35/48/1292933548.db2.gz FLGGKOPHIVEZFD-ZDUSSCGKSA-N 0 3 346.265 3.002 20 10 EGCDHN COc1cc(Br)cc(C[N@H+](C)[C@@H](CO)C(C)(C)C)c1[O-] ZINC000093821804 1292933537 /nfs/dbraw/zinc/93/35/37/1292933537.db2.gz FLGGKOPHIVEZFD-ZDUSSCGKSA-N 0 3 346.265 3.002 20 10 EGCDHN CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000834768251 1293143942 /nfs/dbraw/zinc/14/39/42/1293143942.db2.gz ACZOMSMOZNDNJK-CWRNSKLLSA-N 0 3 332.444 3.226 20 10 EGCDHN CN(C)Cc1cccc(NC(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000120064160 1293301340 /nfs/dbraw/zinc/30/13/40/1293301340.db2.gz KQOSRVISHSUKGW-UHFFFAOYSA-N 0 3 344.434 3.275 20 10 EGCDHN CCCC(=O)NC[C@@H]1CCCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000124220228 1293470733 /nfs/dbraw/zinc/47/07/33/1293470733.db2.gz OJZJDGWCNKCKCY-INIZCTEOSA-N 0 3 335.467 3.020 20 10 EGCDHN CCCN(CC(=O)N1CCc2ccccc2C1)Cc1ccccc1O ZINC000130727468 1293666779 /nfs/dbraw/zinc/66/67/79/1293666779.db2.gz DXWMYWZCKBQYAL-UHFFFAOYSA-N 0 3 338.451 3.189 20 10 EGCDHN COc1cccc(CN2CCN(Cc3cccc(C)c3)CC2)c1O ZINC000162726298 1294320905 /nfs/dbraw/zinc/32/09/05/1294320905.db2.gz PMZXGJWPBLDRJN-UHFFFAOYSA-N 0 3 326.440 3.027 20 10 EGCDHN Cc1ncsc1CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000172536794 1294439162 /nfs/dbraw/zinc/43/91/62/1294439162.db2.gz PEDVFFCSVCPWPU-MRXNPFEDSA-N 0 3 332.469 3.381 20 10 EGCDHN Cc1ncsc1CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000172536794 1294439168 /nfs/dbraw/zinc/43/91/68/1294439168.db2.gz PEDVFFCSVCPWPU-MRXNPFEDSA-N 0 3 332.469 3.381 20 10 EGCDHN CCOc1ccc(O)c(CN(C)C[C@H]2COc3ccccc3O2)c1 ZINC000179635350 1294810200 /nfs/dbraw/zinc/81/02/00/1294810200.db2.gz VVQSACLRKUTYNM-INIZCTEOSA-N 0 3 329.396 3.063 20 10 EGCDHN FC(F)(F)C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000179963736 1294846224 /nfs/dbraw/zinc/84/62/24/1294846224.db2.gz YAVXXWXFLNULND-UHFFFAOYSA-N 0 3 328.378 3.298 20 10 EGCDHN O=C(NC[C@H]1CCCCN1Cc1cc(F)ccc1O)c1ccccc1 ZINC000180027511 1294853458 /nfs/dbraw/zinc/85/34/58/1294853458.db2.gz KMVHDUQLMFPKCU-GOSISDBHSA-N 0 3 342.414 3.316 20 10 EGCDHN C[C@@H]([NH2+]CCN1CCN(c2ccc(F)cc2)CC1)c1ccccc1[O-] ZINC000183402983 1295117365 /nfs/dbraw/zinc/11/73/65/1295117365.db2.gz UBSZHQOJWWNAEK-MRXNPFEDSA-N 0 3 343.446 3.004 20 10 EGCDHN C[C@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1cc(F)ccc1[O-] ZINC000184865374 1295224655 /nfs/dbraw/zinc/22/46/55/1295224655.db2.gz JNHALEBPXBVYEN-QMMMGPOBSA-N 0 3 342.292 3.238 20 10 EGCDHN C[C@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c1cc(F)ccc1[O-] ZINC000185660739 1295277821 /nfs/dbraw/zinc/27/78/21/1295277821.db2.gz FYQQSIXJFBRZFZ-NSHDSACASA-N 0 3 326.412 3.485 20 10 EGCDHN CC[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])NC(=O)OC(C)(C)C ZINC000227721214 1296148166 /nfs/dbraw/zinc/14/81/66/1296148166.db2.gz AYIAQUAHELMFRB-AAEUAGOBSA-N 0 3 326.412 3.485 20 10 EGCDHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)/C=C\c2ccc(Cl)nc2)C1 ZINC000255884051 1296575146 /nfs/dbraw/zinc/57/51/46/1296575146.db2.gz BJISIHASYODDMO-SIJIIQCFSA-N 0 3 341.842 3.268 20 10 EGCDHN COc1ccc(OC)c([C@H](O)[C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000872136100 1296760295 /nfs/dbraw/zinc/76/02/95/1296760295.db2.gz JLPLLEXNNSZXNJ-WTOJCKNJSA-N 0 3 331.412 3.182 20 10 EGCDHN CCOc1ccc(O)c(CNCC(=O)Nc2ccc(Cl)cc2)c1 ZINC000725849603 1298374742 /nfs/dbraw/zinc/37/47/42/1298374742.db2.gz NOFGCCIJNUMIKO-UHFFFAOYSA-N 0 3 334.803 3.173 20 10 EGCDHN CN(Cc1ccc(N2CCC(O)CC2)cc1)Cc1cccc(F)c1 ZINC000876533934 1298809574 /nfs/dbraw/zinc/80/95/74/1298809574.db2.gz WYRWCVOIKYQXSL-UHFFFAOYSA-N 0 3 328.431 3.419 20 10 EGCDHN Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(O)cc3)CC2)c([O-])c1 ZINC000876658604 1298903140 /nfs/dbraw/zinc/90/31/40/1298903140.db2.gz AGLJUNKXHGLNRH-UHFFFAOYSA-N 0 3 340.423 3.257 20 10 EGCDHN Cc1cccc(O)c1CNCc1cc2c(cc1OC(F)F)OCO2 ZINC000877085226 1299150285 /nfs/dbraw/zinc/15/02/85/1299150285.db2.gz RQTCFDSIVLDVPU-UHFFFAOYSA-N 0 3 337.322 3.321 20 10 EGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H]([C@@H]4CCOC4)C3)c2c1 ZINC000749799231 1299274176 /nfs/dbraw/zinc/27/41/76/1299274176.db2.gz VDPNRWFQAHJGHQ-HZPDHXFCSA-N 0 3 327.424 3.412 20 10 EGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H]([C@@H]4CCOC4)C3)c2c1 ZINC000749799231 1299274179 /nfs/dbraw/zinc/27/41/79/1299274179.db2.gz VDPNRWFQAHJGHQ-HZPDHXFCSA-N 0 3 327.424 3.412 20 10 EGCDHN CC[C@@H]1CO[C@@H](CC)CN1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877611363 1299430424 /nfs/dbraw/zinc/43/04/24/1299430424.db2.gz PUZZAOZABVRJQD-XLIONFOSSA-N 0 3 332.488 3.037 20 10 EGCDHN Nc1c(Cl)cccc1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000877637664 1299446811 /nfs/dbraw/zinc/44/68/11/1299446811.db2.gz YRNAUCOPDBIAAS-UHFFFAOYSA-N 0 3 345.874 3.173 20 10 EGCDHN O=C(NC1CC[NH+](Cc2ccccc2[O-])CC1)OCc1ccccc1 ZINC000877750417 1299526239 /nfs/dbraw/zinc/52/62/39/1299526239.db2.gz FVPBHCXWJJIVIG-UHFFFAOYSA-N 0 3 340.423 3.283 20 10 EGCDHN C[C@@H]([NH2+][C@@H](C)CCN1C(=O)c2ccccc2C1=O)c1ccccc1[O-] ZINC000877755536 1299530764 /nfs/dbraw/zinc/53/07/64/1299530764.db2.gz DLYNHSIOXZNZDS-UONOGXRCSA-N 0 3 338.407 3.118 20 10 EGCDHN COc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000877756319 1299532495 /nfs/dbraw/zinc/53/24/95/1299532495.db2.gz HAZKHYXKOACWKW-ZIAGYGMSSA-N 0 3 328.412 3.469 20 10 EGCDHN C[C@@H]([NH2+]C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2)c1ccccc1[O-] ZINC000877755909 1299533174 /nfs/dbraw/zinc/53/31/74/1299533174.db2.gz SFQLTLSMLFGDCN-TYILLQQXSA-N 0 3 332.444 3.300 20 10 EGCDHN CNC(=O)c1ccc(C[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)cc1 ZINC000756396977 1300482746 /nfs/dbraw/zinc/48/27/46/1300482746.db2.gz QXNCEIAXSFUYIM-XHDPSFHLSA-N 0 3 328.387 3.229 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+]CCC(=O)N2CCCCCC2)c2c1c(F)ccc2[O-] ZINC000756507587 1300510716 /nfs/dbraw/zinc/51/07/16/1300510716.db2.gz CVDVKLPCXQHYEG-HIFRSBDPSA-N 0 3 334.435 3.462 20 10 EGCDHN C[C@H]1C[C@@H]([NH2+]CCC(=O)NCc2ccccc2)c2c1c(F)ccc2[O-] ZINC000756511636 1300511760 /nfs/dbraw/zinc/51/17/60/1300511760.db2.gz XNPJDYTVIMUNCR-XJKSGUPXSA-N 0 3 342.414 3.376 20 10 EGCDHN C[C@H]1C[C@H]([NH2+]CCC(=O)NCc2ccccc2)c2c1c(F)ccc2[O-] ZINC000756511633 1300512013 /nfs/dbraw/zinc/51/20/13/1300512013.db2.gz XNPJDYTVIMUNCR-BBRMVZONSA-N 0 3 342.414 3.376 20 10 EGCDHN C[C@H]1C[C@H]([NH2+]CC2(N3CCCC3)CCOCC2)c2c1c(F)ccc2[O-] ZINC000756545074 1300518151 /nfs/dbraw/zinc/51/81/51/1300518151.db2.gz XWHQYZQNQYXITQ-HOCLYGCPSA-N 0 3 348.462 3.314 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+]CC(=O)N(C)C2CCCCC2)c2c1c(F)ccc2[O-] ZINC000756635825 1300537993 /nfs/dbraw/zinc/53/79/93/1300537993.db2.gz AWJINWYCKRYEGE-IUODEOHRSA-N 0 3 334.435 3.460 20 10 EGCDHN C[C@H]([NH2+]CCCN(C(=O)C1CCC1)C1CC1)c1cc(F)ccc1[O-] ZINC000756708171 1300550739 /nfs/dbraw/zinc/55/07/39/1300550739.db2.gz NVCVOBXUXLVPIG-ZDUSSCGKSA-N 0 3 334.435 3.363 20 10 EGCDHN Cc1ccoc1C(=O)NCCC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756737230 1300556803 /nfs/dbraw/zinc/55/68/03/1300556803.db2.gz LKIGJOJDJAYZQE-JSGCOSHPSA-N 0 3 346.402 3.391 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+][C@H](CO)C[C@@H](O)c2ccccc2)c2c1c(F)ccc2[O-] ZINC000756770737 1300563853 /nfs/dbraw/zinc/56/38/53/1300563853.db2.gz MHMTYSCUBOUNNX-BSXOQXRQSA-N 0 3 345.414 3.154 20 10 EGCDHN CCN(CC)c1ccc(CNCc2ccc3c(c2)C(=O)NCC3)cc1 ZINC000757940674 1300760633 /nfs/dbraw/zinc/76/06/33/1300760633.db2.gz ARITYLANNWAAQG-UHFFFAOYSA-N 0 3 337.467 3.109 20 10 EGCDHN C[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1)c1cc(F)ccc1[O-] ZINC000760040926 1301212171 /nfs/dbraw/zinc/21/21/71/1301212171.db2.gz MXCVNCWZHCJRGR-WILYLXEWSA-N 0 3 333.378 3.487 20 10 EGCDHN C[C@H]1C[C@@H]([NH2+]C2CCN(c3cccnn3)CC2)c2c1c(F)ccc2[O-] ZINC000760048220 1301214103 /nfs/dbraw/zinc/21/41/03/1301214103.db2.gz RRTQIRYFJUTOTG-SWLSCSKDSA-N 0 3 342.418 3.128 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3nnc(C)o3)C2)c1[O-] ZINC000761194313 1301418561 /nfs/dbraw/zinc/41/85/61/1301418561.db2.gz YHIVEONXQJEQAW-NSHDSACASA-N 0 3 337.807 3.125 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H](c3nnc(C)o3)C2)c1[O-] ZINC000761194313 1301418562 /nfs/dbraw/zinc/41/85/62/1301418562.db2.gz YHIVEONXQJEQAW-NSHDSACASA-N 0 3 337.807 3.125 20 10 EGCDHN COc1cc(Cl)cc(CN2CCC[C@H](c3nnc(C)o3)C2)c1O ZINC000761194313 1301418566 /nfs/dbraw/zinc/41/85/66/1301418566.db2.gz YHIVEONXQJEQAW-NSHDSACASA-N 0 3 337.807 3.125 20 10 EGCDHN CCOc1ccc(C[N@H+](C)CCOc2ccc(OC)cc2)c([O-])c1 ZINC000768199764 1302852246 /nfs/dbraw/zinc/85/22/46/1302852246.db2.gz YJDKIZZCGCHFAW-UHFFFAOYSA-N 0 3 331.412 3.310 20 10 EGCDHN CCOc1ccc(C[N@@H+](C)CCOc2ccc(OC)cc2)c([O-])c1 ZINC000768199764 1302852263 /nfs/dbraw/zinc/85/22/63/1302852263.db2.gz YJDKIZZCGCHFAW-UHFFFAOYSA-N 0 3 331.412 3.310 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]1CCc1ccccc1)[C@@H](O)CO2 ZINC000768442152 1302904528 /nfs/dbraw/zinc/90/45/28/1302904528.db2.gz JRVJFEPIUYELCM-PXNSSMCTSA-N 0 3 339.435 3.415 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]1CCc1ccccc1)[C@@H](O)CO2 ZINC000768442152 1302904541 /nfs/dbraw/zinc/90/45/41/1302904541.db2.gz JRVJFEPIUYELCM-PXNSSMCTSA-N 0 3 339.435 3.415 20 10 EGCDHN CC[C@@H]1c2ccccc2CC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768445729 1302907426 /nfs/dbraw/zinc/90/74/26/1302907426.db2.gz IVCKTCQNFUZTAH-IEBWSBKVSA-N 0 3 325.408 3.327 20 10 EGCDHN CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768445729 1302907436 /nfs/dbraw/zinc/90/74/36/1302907436.db2.gz IVCKTCQNFUZTAH-IEBWSBKVSA-N 0 3 325.408 3.327 20 10 EGCDHN CC1(c2ccccc2)CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768462136 1302911239 /nfs/dbraw/zinc/91/12/39/1302911239.db2.gz JWLMTOHINMXKBH-LJQANCHMSA-N 0 3 339.435 3.372 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1 ZINC000769382916 1303102864 /nfs/dbraw/zinc/10/28/64/1303102864.db2.gz YUTGSZKAWOLPSQ-CVEARBPZSA-N 0 3 330.394 3.420 20 10 EGCDHN COc1cc(Br)cc(C[N@@H+]2CC[C@H](C3CC3)C2)c1[O-] ZINC000769515391 1303133119 /nfs/dbraw/zinc/13/31/19/1303133119.db2.gz PQOABBXOTKJQTH-NSHDSACASA-N 0 3 326.234 3.395 20 10 EGCDHN COc1cc(Br)cc(C[N@H+]2CC[C@H](C3CC3)C2)c1[O-] ZINC000769515391 1303133126 /nfs/dbraw/zinc/13/31/26/1303133126.db2.gz PQOABBXOTKJQTH-NSHDSACASA-N 0 3 326.234 3.395 20 10 EGCDHN CN1CCN(Cc2cccc(NCc3c(O)cccc3Cl)c2)CC1 ZINC000770404420 1303263106 /nfs/dbraw/zinc/26/31/06/1303263106.db2.gz NGOBSNGRBJVGBU-UHFFFAOYSA-N 0 3 345.874 3.405 20 10 EGCDHN Oc1ccccc1CN1CCN(CCOc2ccccc2Cl)CC1 ZINC000770509557 1303279213 /nfs/dbraw/zinc/27/92/13/1303279213.db2.gz OEJIMUQPMMMUOC-UHFFFAOYSA-N 0 3 346.858 3.242 20 10 EGCDHN C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1)c1c([O-])cccc1F ZINC000886578261 1303509292 /nfs/dbraw/zinc/50/92/92/1303509292.db2.gz PPYHLLKACYZXDW-ZFWWWQNUSA-N 0 3 344.434 3.240 20 10 EGCDHN COc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000774479630 1303815151 /nfs/dbraw/zinc/81/51/51/1303815151.db2.gz RFVRHNQJJUFVBG-HUUCEWRRSA-N 0 3 341.455 3.439 20 10 EGCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2ccc(C)cc2F)c1 ZINC000775369974 1303948710 /nfs/dbraw/zinc/94/87/10/1303948710.db2.gz DDPDMVWEVCRGCZ-GFCCVEGCSA-N 0 3 332.375 3.138 20 10 EGCDHN [O-]c1c(Cl)cccc1C[NH+]1CCN(CCOc2ccccc2)CC1 ZINC000775646750 1304003317 /nfs/dbraw/zinc/00/33/17/1304003317.db2.gz NQKBMOOWEKEJPE-UHFFFAOYSA-N 0 3 346.858 3.242 20 10 EGCDHN C[C@@H](NCC(=O)NCCC1=CCCCC1)c1ccc(N(C)C)cc1 ZINC000775830463 1304045083 /nfs/dbraw/zinc/04/50/83/1304045083.db2.gz JOJJMZOTIKFJLJ-MRXNPFEDSA-N 0 3 329.488 3.410 20 10 EGCDHN Cc1ccc(NC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)c(F)c1 ZINC000775830759 1304045494 /nfs/dbraw/zinc/04/54/94/1304045494.db2.gz NGYJSCTZEAVIMK-AWEZNQCLSA-N 0 3 329.419 3.489 20 10 EGCDHN C[C@H](c1ccccc1)[N@H+](CCN1CCOC1=O)Cc1ccccc1[O-] ZINC000776012057 1304079573 /nfs/dbraw/zinc/07/95/73/1304079573.db2.gz XFRYJCKQXASGEU-MRXNPFEDSA-N 0 3 340.423 3.408 20 10 EGCDHN C[C@H](c1ccccc1)[N@@H+](CCN1CCOC1=O)Cc1ccccc1[O-] ZINC000776012057 1304079579 /nfs/dbraw/zinc/07/95/79/1304079579.db2.gz XFRYJCKQXASGEU-MRXNPFEDSA-N 0 3 340.423 3.408 20 10 EGCDHN COC(=O)C1=C(C)O[C@@H](C[N@H+](Cc2ccccc2[O-])C2CCCC2)C1 ZINC000778216557 1304421506 /nfs/dbraw/zinc/42/15/06/1304421506.db2.gz WRQKJEXALZIPFS-QGZVFWFLSA-N 0 3 345.439 3.373 20 10 EGCDHN COC(=O)C1=C(C)O[C@@H](C[N@@H+](Cc2ccccc2[O-])C2CCCC2)C1 ZINC000778216557 1304421510 /nfs/dbraw/zinc/42/15/10/1304421510.db2.gz WRQKJEXALZIPFS-QGZVFWFLSA-N 0 3 345.439 3.373 20 10 EGCDHN CCN1C[C@H](C[N@H+](C)Cc2cc(F)ccc2[O-])Oc2ccccc21 ZINC000778995342 1304515817 /nfs/dbraw/zinc/51/58/17/1304515817.db2.gz VKAMQVQAWVSBCN-INIZCTEOSA-N 0 3 330.403 3.251 20 10 EGCDHN CCN1C[C@H](C[N@@H+](C)Cc2cc(F)ccc2[O-])Oc2ccccc21 ZINC000778995342 1304515820 /nfs/dbraw/zinc/51/58/20/1304515820.db2.gz VKAMQVQAWVSBCN-INIZCTEOSA-N 0 3 330.403 3.251 20 10 EGCDHN C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000779031900 1304520803 /nfs/dbraw/zinc/52/08/03/1304520803.db2.gz BGXZFSQACDAKJA-WFASDCNBSA-N 0 3 338.423 3.409 20 10 EGCDHN C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000779031900 1304520807 /nfs/dbraw/zinc/52/08/07/1304520807.db2.gz BGXZFSQACDAKJA-WFASDCNBSA-N 0 3 338.423 3.409 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)c1[O-] ZINC000779152573 1304535748 /nfs/dbraw/zinc/53/57/48/1304535748.db2.gz CDBJHYSLBCUCJK-WFASDCNBSA-N 0 3 342.277 3.446 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)c1[O-] ZINC000779152573 1304535751 /nfs/dbraw/zinc/53/57/51/1304535751.db2.gz CDBJHYSLBCUCJK-WFASDCNBSA-N 0 3 342.277 3.446 20 10 EGCDHN COc1cc(Cl)cc(CN2CCC[C@H](OCC3CC3)C2)c1O ZINC000779188151 1304540114 /nfs/dbraw/zinc/54/01/14/1304540114.db2.gz GKXFRPUTEWQTKE-HNNXBMFYSA-N 0 3 325.836 3.445 20 10 EGCDHN CCOc1ccc(C[NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)c([O-])c1 ZINC000780580918 1304712216 /nfs/dbraw/zinc/71/22/16/1304712216.db2.gz RAKAHPXZLREBRY-CJNGLKHVSA-N 0 3 347.377 3.364 20 10 EGCDHN COC(=O)c1ccc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)[nH]1 ZINC000781911558 1304889953 /nfs/dbraw/zinc/88/99/53/1304889953.db2.gz LYITVHDIFJWJQL-UHFFFAOYSA-N 0 3 328.412 3.452 20 10 EGCDHN COC(=O)c1ccc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)[nH]1 ZINC000781911558 1304889958 /nfs/dbraw/zinc/88/99/58/1304889958.db2.gz LYITVHDIFJWJQL-UHFFFAOYSA-N 0 3 328.412 3.452 20 10 EGCDHN Cc1cccc(C)c1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891253090 1305000525 /nfs/dbraw/zinc/00/05/25/1305000525.db2.gz QLMCKXGYVSKUKE-LJQANCHMSA-N 0 3 339.483 3.402 20 10 EGCDHN CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(OC)c(OC)c2[O-])C12CCC2 ZINC000892230145 1305288666 /nfs/dbraw/zinc/28/86/66/1305288666.db2.gz WCBNXFLLAXZIIB-HZPDHXFCSA-N 0 3 335.444 3.189 20 10 EGCDHN CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(OC)c(OC)c2[O-])C12CCC2 ZINC000892230145 1305288669 /nfs/dbraw/zinc/28/86/69/1305288669.db2.gz WCBNXFLLAXZIIB-HZPDHXFCSA-N 0 3 335.444 3.189 20 10 EGCDHN CCN(Cc1ccc(N(C)C)cc1)Cc1ccc2oc(=O)oc2c1 ZINC000893870918 1306106434 /nfs/dbraw/zinc/10/64/34/1306106434.db2.gz FPDDHBOLMUNMLT-UHFFFAOYSA-N 0 3 326.396 3.474 20 10 EGCDHN COc1ccc(N2CCN(CCCc3ccc(C)nc3)CC2)cc1F ZINC000792843241 1309244419 /nfs/dbraw/zinc/24/44/19/1309244419.db2.gz MBSBETUVTYBYQM-UHFFFAOYSA-N 0 3 343.446 3.293 20 10 EGCDHN COc1ccc(C[NH2+][C@H](C)CCc2n[nH]c3ccccc32)c([O-])c1 ZINC000793387530 1309362469 /nfs/dbraw/zinc/36/24/69/1309362469.db2.gz GBIQRUFSOQZYPP-CYBMUJFWSA-N 0 3 325.412 3.388 20 10 EGCDHN CCS(=O)(=O)c1ccc(CN[C@@H](C)c2cc(C)ccc2O)s1 ZINC000794828009 1309603693 /nfs/dbraw/zinc/60/36/93/1309603693.db2.gz NXNMRTFFZPGDMF-LBPRGKRZSA-N 0 3 339.482 3.407 20 10 EGCDHN CCOc1ccc(C[NH+]2CCC(Nc3ccccn3)CC2)c([O-])c1 ZINC000896197815 1309740763 /nfs/dbraw/zinc/74/07/63/1309740763.db2.gz IPFKYYFPPOMVTH-UHFFFAOYSA-N 0 3 327.428 3.262 20 10 EGCDHN COc1cccc(CN2CC(c3nc(-c4ccccc4)no3)C2)c1O ZINC000897320176 1310289213 /nfs/dbraw/zinc/28/92/13/1310289213.db2.gz NPEJQAVYRFNKEY-UHFFFAOYSA-N 0 3 337.379 3.050 20 10 EGCDHN COc1ccc(O)c(CN[C@H](CO)c2ccccc2C(F)(F)F)c1 ZINC000897331555 1310294682 /nfs/dbraw/zinc/29/46/82/1310294682.db2.gz ULZGFTXVKRHXHV-OAHLLOKOSA-N 0 3 341.329 3.243 20 10 EGCDHN [O-]c1ccc(Br)cc1CN1CCC([NH2+]C2CCC2)CC1 ZINC000897980636 1310538589 /nfs/dbraw/zinc/53/85/89/1310538589.db2.gz AYIFGMQZIRSFRX-UHFFFAOYSA-N 0 3 339.277 3.261 20 10 EGCDHN C[C@@H]([NH2+]CCCNC(=O)/C=C\c1ccccc1)c1cc(F)ccc1[O-] ZINC000800505171 1310772791 /nfs/dbraw/zinc/77/27/91/1310772791.db2.gz IIGBJPAOZJNIDT-MEODZPNASA-N 0 3 342.414 3.402 20 10 EGCDHN C[C@@H](N(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C1(C)CC1 ZINC000899102592 1310936486 /nfs/dbraw/zinc/93/64/86/1310936486.db2.gz RBOPTBRCAZCZGB-CRAIPNDOSA-N 0 3 346.519 3.185 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@H](CCCO)C2)c1[O-] ZINC000825337944 1320329806 /nfs/dbraw/zinc/32/98/06/1320329806.db2.gz JICDLRMAGYISTG-LBPRGKRZSA-N 0 3 328.250 3.058 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@H](CCCO)C2)c1[O-] ZINC000825337944 1320329812 /nfs/dbraw/zinc/32/98/12/1320329812.db2.gz JICDLRMAGYISTG-LBPRGKRZSA-N 0 3 328.250 3.058 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+]CC2SCCS2)c1[O-] ZINC000827612862 1320462868 /nfs/dbraw/zinc/46/28/68/1320462868.db2.gz IUTKJMVQPOJZOS-UHFFFAOYSA-N 0 3 334.304 3.359 20 10 EGCDHN CN(C)c1cc(F)c(CNCCN2Cc3ccccc3C2)cc1F ZINC000858113318 1328685547 /nfs/dbraw/zinc/68/55/47/1328685547.db2.gz QNMRHALDZIZZJJ-UHFFFAOYSA-N 0 3 331.410 3.136 20 10 EGCDHN CC[S@](=O)[C@@H]1CCC[C@@H](NCc2cc(F)c(N(C)C)cc2F)C1 ZINC000858149115 1328696510 /nfs/dbraw/zinc/69/65/10/1328696510.db2.gz YGNZMQQQDLXIOD-CSTKLKAISA-N 0 3 344.471 3.200 20 10 EGCDHN CC(C)(CNCc1c([O-])cccc1Br)C[NH+]1CCCC1 ZINC000858160993 1328700261 /nfs/dbraw/zinc/70/02/61/1328700261.db2.gz XPROQZPOBMTNFW-UHFFFAOYSA-N 0 3 341.293 3.366 20 10 EGCDHN CN(C)c1cc(F)c(CNC[C@]2(CO)C[C@H]2c2ccccc2)cc1F ZINC000858165811 1328701853 /nfs/dbraw/zinc/70/18/53/1328701853.db2.gz OGTMNZWIGPMHRN-JXFKEZNVSA-N 0 3 346.421 3.287 20 10 EGCDHN CN(C)c1cc(F)c(CNC[C@H](CO)c2ccc(F)cc2)cc1F ZINC000858178680 1328704306 /nfs/dbraw/zinc/70/43/06/1328704306.db2.gz PFYHAUHKYCYYHY-CQSZACIVSA-N 0 3 338.373 3.036 20 10 EGCDHN CCOc1ccc(C[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)c([O-])c1 ZINC000808431006 1317676223 /nfs/dbraw/zinc/67/62/23/1317676223.db2.gz NKNJSUQXCKATEW-HNNXBMFYSA-N 0 3 335.831 3.310 20 10 EGCDHN COc1cccc(CN(CCc2ccccn2)Cc2ccncc2)c1O ZINC000809762528 1317894679 /nfs/dbraw/zinc/89/46/79/1317894679.db2.gz REYUHTIGPCCBGN-UHFFFAOYSA-N 0 3 349.434 3.436 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]Cc2ccc([S@](C)=O)cc2)c1[O-] ZINC000809793288 1317903593 /nfs/dbraw/zinc/90/35/93/1317903593.db2.gz BPBKFIALZVZZJT-QFIPXVFZSA-N 0 3 339.844 3.081 20 10 EGCDHN COC(=O)c1cc(CNCc2cc(C)n(-c3ccccc3)c2C)c[nH]1 ZINC000858292466 1328731146 /nfs/dbraw/zinc/73/11/46/1328731146.db2.gz ACNHMKUVHFEVCZ-UHFFFAOYSA-N 0 3 337.423 3.499 20 10 EGCDHN COc1ccc(CN[C@H]2C[C@H](C)c3c2c(O)ccc3F)c(OC)n1 ZINC000810260152 1317988962 /nfs/dbraw/zinc/98/89/62/1317988962.db2.gz GHWZMMBGGFFFDR-GWCFXTLKSA-N 0 3 332.375 3.282 20 10 EGCDHN C[C@H](N[C@H]1CC(=O)N(c2ccccc2F)C1)c1ccc(N(C)C)cc1 ZINC000812739806 1318446210 /nfs/dbraw/zinc/44/62/10/1318446210.db2.gz DYDWAGQKEQDHQT-HOCLYGCPSA-N 0 3 341.430 3.348 20 10 EGCDHN CC[C@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2F)C1)c1ccccc1[O-] ZINC000812739978 1318446326 /nfs/dbraw/zinc/44/63/26/1318446326.db2.gz JTPPAAJMXNBDTG-CJNGLKHVSA-N 0 3 328.387 3.378 20 10 EGCDHN CCc1nc(C)c(CNC2CCN(c3ccc(OC)cc3)CC2)o1 ZINC000813794492 1318632527 /nfs/dbraw/zinc/63/25/27/1318632527.db2.gz AFVBHIMIIDBRAE-UHFFFAOYSA-N 0 3 329.444 3.313 20 10 EGCDHN OC[C@H](NCc1ccccc1O)c1ccc(Br)c(F)c1 ZINC000813791474 1318632855 /nfs/dbraw/zinc/63/28/55/1318632855.db2.gz BOZDZFXCFMHAAX-AWEZNQCLSA-N 0 3 340.192 3.117 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+][C@H](C(C)C)C2(CO)CCC2)c1[O-] ZINC000814170099 1318686932 /nfs/dbraw/zinc/68/69/32/1318686932.db2.gz RSKGLPHWXHXPDV-MRXNPFEDSA-N 0 3 327.852 3.331 20 10 EGCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]C[C@H]1COCCO1 ZINC000815561408 1319016352 /nfs/dbraw/zinc/01/63/52/1319016352.db2.gz GGVMIMHISVBEIJ-PKOBYXMFSA-N 0 3 327.424 3.071 20 10 EGCDHN CC(=O)N[C@H]1CCN(Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000817414039 1319352564 /nfs/dbraw/zinc/35/25/64/1319352564.db2.gz BMKNPYQHIQGSEG-KRWDZBQOSA-N 0 3 343.496 3.095 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]C[C@H](Cc2ccccc2)OC)c1[O-] ZINC000824590925 1320267392 /nfs/dbraw/zinc/26/73/92/1320267392.db2.gz RYWXIRLPWLDROR-INIZCTEOSA-N 0 3 335.831 3.402 20 10 EGCDHN Cc1cc(Br)c([O-])c(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000824988883 1320301562 /nfs/dbraw/zinc/30/15/62/1320301562.db2.gz SYDXGAFCBHALGJ-AGUYFDCRSA-N 0 3 339.277 3.178 20 10 EGCDHN COC[C@@H](C)Oc1ccc(C[NH2+]Cc2ccc(OC)cc2[O-])cc1 ZINC000825753674 1320360519 /nfs/dbraw/zinc/36/05/19/1320360519.db2.gz UBGNUFXFDJWSLW-CQSZACIVSA-N 0 3 331.412 3.104 20 10 EGCDHN Cc1cc(N(C)C)ccc1CN[C@H](CC(=O)N(C)C)c1ccccc1 ZINC000840933183 1321180074 /nfs/dbraw/zinc/18/00/74/1321180074.db2.gz MHXBWRCYTZSFJI-HXUWFJFHSA-N 0 3 339.483 3.370 20 10 EGCDHN CCN(Cc1ccccc1)C(=O)CNCc1ccc(N(C)C)cc1C ZINC000840932680 1321180213 /nfs/dbraw/zinc/18/02/13/1321180213.db2.gz HZMIFDVQJLOQLU-UHFFFAOYSA-N 0 3 339.483 3.199 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2Cc3ccccc3[C@@H]2OC)c1[O-] ZINC000840956447 1321185569 /nfs/dbraw/zinc/18/55/69/1321185569.db2.gz REYRSGNEMXTPLQ-QAPCUYQASA-N 0 3 333.815 3.456 20 10 EGCDHN CN(CCC[N@H+](C)Cc1cc(F)ccc1[O-])C(=O)OC(C)(C)C ZINC000840972460 1321191615 /nfs/dbraw/zinc/19/16/15/1321191615.db2.gz MLTIKYBGWPMBOE-UHFFFAOYSA-N 0 3 326.412 3.220 20 10 EGCDHN CN(CCC[N@@H+](C)Cc1cc(F)ccc1[O-])C(=O)OC(C)(C)C ZINC000840972460 1321191618 /nfs/dbraw/zinc/19/16/18/1321191618.db2.gz MLTIKYBGWPMBOE-UHFFFAOYSA-N 0 3 326.412 3.220 20 10 EGCDHN CC(C)Cn1nccc1CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000842674435 1321416897 /nfs/dbraw/zinc/41/68/97/1321416897.db2.gz OLTJVEPHJFROHZ-QGZVFWFLSA-N 0 3 342.487 3.227 20 10 EGCDHN CCNC(=O)c1cccc(CN[C@H](C)c2cccc(OC)c2O)c1 ZINC000846141277 1321770989 /nfs/dbraw/zinc/77/09/89/1321770989.db2.gz HLNDWYXAMFVZAC-CYBMUJFWSA-N 0 3 328.412 3.001 20 10 EGCDHN C[C@@H](c1ccccc1)[N@H+](CC[C@@H]1CCNC1=O)Cc1ccccc1[O-] ZINC000846839916 1321814467 /nfs/dbraw/zinc/81/44/67/1321814467.db2.gz HUJVRCVVPWWSEZ-WMZOPIPTSA-N 0 3 338.451 3.482 20 10 EGCDHN C[C@@H](c1ccccc1)[N@@H+](CC[C@@H]1CCNC1=O)Cc1ccccc1[O-] ZINC000846839916 1321814472 /nfs/dbraw/zinc/81/44/72/1321814472.db2.gz HUJVRCVVPWWSEZ-WMZOPIPTSA-N 0 3 338.451 3.482 20 10 EGCDHN COc1ccc(CNC(=[NH2+])Nc2cccc3c2CCCC3)c([O-])c1 ZINC000849095997 1322076620 /nfs/dbraw/zinc/07/66/20/1322076620.db2.gz WIEQYHWTKHVEOE-UHFFFAOYSA-N 0 3 325.412 3.416 20 10 EGCDHN CC[C@@H](C)NC(=O)[C@@H](C)NCc1cc(OC)cc(C(C)(C)C)c1O ZINC000850096916 1322192123 /nfs/dbraw/zinc/19/21/23/1322192123.db2.gz RUSPXDZKYBCBKY-CHWSQXEVSA-N 0 3 336.476 3.091 20 10 EGCDHN COc1cc(CN[C@@H](C)C(=O)NC(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000850093996 1322192486 /nfs/dbraw/zinc/19/24/86/1322192486.db2.gz NPGPGURXSINPAA-LBPRGKRZSA-N 0 3 336.476 3.091 20 10 EGCDHN Cc1ccc(F)cc1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000850406646 1322240304 /nfs/dbraw/zinc/24/03/04/1322240304.db2.gz ONNXFRWNHPSWRJ-UHFFFAOYSA-N 0 3 328.431 3.385 20 10 EGCDHN OC1CCN(c2ccc(CNCc3ccc(F)c(F)c3)cc2)CC1 ZINC000850404981 1322241130 /nfs/dbraw/zinc/24/11/30/1322241130.db2.gz HBUCPKLFPOCEIR-UHFFFAOYSA-N 0 3 332.394 3.216 20 10 EGCDHN OC1CCN(c2ccc(CN[C@@H]3CCCc4cccnc43)cc2)CC1 ZINC000850568194 1322269381 /nfs/dbraw/zinc/26/93/81/1322269381.db2.gz RGRPWYDDOZOYPO-HXUWFJFHSA-N 0 3 337.467 3.210 20 10 EGCDHN CCOc1ccc(C[N@@H+]2CCC[C@](O)(c3ccccc3)C2)c([O-])c1 ZINC000862483617 1329490249 /nfs/dbraw/zinc/49/02/49/1329490249.db2.gz VORMEQXAPJYGSB-HXUWFJFHSA-N 0 3 327.424 3.275 20 10 EGCDHN CCOc1ccc(C[N@H+]2CCC[C@](O)(c3ccccc3)C2)c([O-])c1 ZINC000862483617 1329490250 /nfs/dbraw/zinc/49/02/50/1329490250.db2.gz VORMEQXAPJYGSB-HXUWFJFHSA-N 0 3 327.424 3.275 20 10 EGCDHN C[C@H]([NH2+]Cc1ccnc(N2CCSCC2)c1)c1cc(F)ccc1[O-] ZINC000866474052 1330116849 /nfs/dbraw/zinc/11/68/49/1330116849.db2.gz KGAINWCANGYEEP-ZDUSSCGKSA-N 0 3 347.459 3.330 20 10 EGCDHN Cc1cc(Br)cc(CN2CC(N3CCCCC3)C2)c1O ZINC001233110098 1376571064 /nfs/dbraw/zinc/57/10/64/1376571064.db2.gz SZPBZOQRWOTDIE-UHFFFAOYSA-N 0 3 339.277 3.133 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@](C)(O)[C@H](C)C2)c1[O-] ZINC001233106782 1376571384 /nfs/dbraw/zinc/57/13/84/1376571384.db2.gz NPCPSNPYOXBHCJ-WBMJQRKESA-N 0 3 342.277 3.446 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@](C)(O)[C@H](C)C2)c1[O-] ZINC001233106782 1376571387 /nfs/dbraw/zinc/57/13/87/1376571387.db2.gz NPCPSNPYOXBHCJ-WBMJQRKESA-N 0 3 342.277 3.446 20 10 EGCDHN Cc1ccc(N2C[C@]3(CC[N@H+](Cc4ccccc4[O-])C3)CC2=O)s1 ZINC001203552288 1370167173 /nfs/dbraw/zinc/16/71/73/1370167173.db2.gz HWZRTEWJLAIMMD-LJQANCHMSA-N 0 3 342.464 3.391 20 10 EGCDHN Cc1ccc(N2C[C@]3(CC[N@@H+](Cc4ccccc4[O-])C3)CC2=O)s1 ZINC001203552288 1370167176 /nfs/dbraw/zinc/16/71/76/1370167176.db2.gz HWZRTEWJLAIMMD-LJQANCHMSA-N 0 3 342.464 3.391 20 10 EGCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H](c2noc(C(F)(F)F)n2)C1 ZINC001203556175 1370168720 /nfs/dbraw/zinc/16/87/20/1370168720.db2.gz MKEJGJLABYCYDD-LLVKDONJSA-N 0 3 327.306 3.174 20 10 EGCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H](c2noc(C(F)(F)F)n2)C1 ZINC001203556175 1370168722 /nfs/dbraw/zinc/16/87/22/1370168722.db2.gz MKEJGJLABYCYDD-LLVKDONJSA-N 0 3 327.306 3.174 20 10 EGCDHN O=C1Nc2ccccc2CN1[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC001203560821 1370170001 /nfs/dbraw/zinc/17/00/01/1370170001.db2.gz GSIURIPCSSQASB-KRWDZBQOSA-N 0 3 337.423 3.404 20 10 EGCDHN O=C1Nc2ccccc2CN1[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC001203560821 1370170002 /nfs/dbraw/zinc/17/00/02/1370170002.db2.gz GSIURIPCSSQASB-KRWDZBQOSA-N 0 3 337.423 3.404 20 10 EGCDHN CS(=O)(=O)c1ccc(C2CCN(Cc3ccccc3O)CC2)cc1 ZINC001203562975 1370170497 /nfs/dbraw/zinc/17/04/97/1370170497.db2.gz RVHWRGXAGLHILA-UHFFFAOYSA-N 0 3 345.464 3.175 20 10 EGCDHN COc1cccc(CN2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)c1O ZINC001203596416 1370182680 /nfs/dbraw/zinc/18/26/80/1370182680.db2.gz BAWNHEKOOCGCHE-GASCZTMLSA-N 0 3 347.418 3.431 20 10 EGCDHN COc1ccc(CN(C)Cc2cc(OC)c(OC)c(OC)c2)c(O)c1 ZINC001203628722 1370193232 /nfs/dbraw/zinc/19/32/32/1370193232.db2.gz GHYHAUMEWGAEAX-UHFFFAOYSA-N 0 3 347.411 3.059 20 10 EGCDHN COc1ccc(C[N@H+](C)Cc2cc(OC)c(OC)c(OC)c2)c([O-])c1 ZINC001203628722 1370193237 /nfs/dbraw/zinc/19/32/37/1370193237.db2.gz GHYHAUMEWGAEAX-UHFFFAOYSA-N 0 3 347.411 3.059 20 10 EGCDHN COc1ccc(C[N@@H+](C)Cc2cc(OC)c(OC)c(OC)c2)c([O-])c1 ZINC001203628722 1370193240 /nfs/dbraw/zinc/19/32/40/1370193240.db2.gz GHYHAUMEWGAEAX-UHFFFAOYSA-N 0 3 347.411 3.059 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC[C@@H](Oc3ncccn3)C2)cc1 ZINC001203943552 1370324454 /nfs/dbraw/zinc/32/44/54/1370324454.db2.gz FJRPZNFNVNCSRD-LJQANCHMSA-N 0 3 340.471 3.366 20 10 EGCDHN CCN(C(C)=O)C1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204329625 1370445514 /nfs/dbraw/zinc/44/55/14/1370445514.db2.gz SEKKGNSUZYOGAF-UHFFFAOYSA-N 0 3 329.488 3.120 20 10 EGCDHN CCN(Cc1ccc(N(C)C)cc1)Cc1cc(O)c(O)c(OC)c1 ZINC001204348956 1370449794 /nfs/dbraw/zinc/44/97/94/1370449794.db2.gz LTHUOAAFYJCILE-UHFFFAOYSA-N 0 3 330.428 3.195 20 10 EGCDHN N[C@@H]1CN(Cc2cc(-c3ccc(F)cc3)ccc2O)CCC1(F)F ZINC001206702650 1371139178 /nfs/dbraw/zinc/13/91/78/1371139178.db2.gz CPWYSONIEFDXGV-QGZVFWFLSA-N 0 3 336.357 3.367 20 10 EGCDHN CCOc1ccc(N2CCN(CCc3ccncc3C)CC2)cc1 ZINC001118194725 1371143540 /nfs/dbraw/zinc/14/35/40/1371143540.db2.gz CKMMWCNVHHEUHQ-UHFFFAOYSA-N 0 3 325.456 3.153 20 10 EGCDHN CC(C)(C)OC(=O)N1CC(CC[N@@H+]2CCc3cccc([O-])c3C2)C1 ZINC001207770093 1371498464 /nfs/dbraw/zinc/49/84/64/1371498464.db2.gz NTUSMIVHJCEITG-UHFFFAOYSA-N 0 3 332.444 3.007 20 10 EGCDHN CC(C)(C)OC(=O)N1CC(CC[N@H+]2CCc3cccc([O-])c3C2)C1 ZINC001207770093 1371498469 /nfs/dbraw/zinc/49/84/69/1371498469.db2.gz NTUSMIVHJCEITG-UHFFFAOYSA-N 0 3 332.444 3.007 20 10 EGCDHN Cc1cc(CN2CC[C@@]3(C2)CCCC[NH2+]3)c([O-])cc1Br ZINC001222441253 1373845081 /nfs/dbraw/zinc/84/50/81/1373845081.db2.gz HOGCJXNUICXCEZ-MRXNPFEDSA-N 0 3 339.277 3.181 20 10 EGCDHN CCOC[C@@H]1CN(Cc2cccc(C)c2O)Cc2cnn(CC)c21 ZINC001231592373 1376273445 /nfs/dbraw/zinc/27/34/45/1376273445.db2.gz MKFCUAXFWGLFBL-KRWDZBQOSA-N 0 3 329.444 3.053 20 10 EGCDHN COc1cc(CN2CCC(Oc3ccccc3C)CC2)c(O)cc1O ZINC001231635328 1376286276 /nfs/dbraw/zinc/28/62/76/1376286276.db2.gz WSCAJKPWYRGBQL-UHFFFAOYSA-N 0 3 343.423 3.458 20 10 EGCDHN Cc1cc(C)c(CN2CCN(Cc3cccc(F)c3)CC2)c(O)c1 ZINC001231844378 1376325772 /nfs/dbraw/zinc/32/57/72/1376325772.db2.gz JXNLCYDOWYVZQL-UHFFFAOYSA-N 0 3 328.431 3.466 20 10 EGCDHN FC1(F)C[C@@]12CCN(Cc1ccc(N3CCOCC3)c(Cl)c1)C2 ZINC001232203550 1376417034 /nfs/dbraw/zinc/41/70/34/1376417034.db2.gz YMAIFWCOLOKTLR-MRXNPFEDSA-N 0 3 342.817 3.408 20 10 EGCDHN CCOC(=O)[C@H]1CCN(Cc2cc(C(C)(C)C)ccc2O)CCC1=O ZINC001233285667 1376605271 /nfs/dbraw/zinc/60/52/71/1376605271.db2.gz PGNNDWJFAFZYNQ-INIZCTEOSA-N 0 3 347.455 3.034 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H](COCC3CC3)C2)c1[O-] ZINC001233290739 1376605990 /nfs/dbraw/zinc/60/59/90/1376605990.db2.gz SYIKZYSJMNWSCX-ZDUSSCGKSA-N 0 3 325.836 3.303 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H](COCC3CC3)C2)c1[O-] ZINC001233290739 1376605993 /nfs/dbraw/zinc/60/59/93/1376605993.db2.gz SYIKZYSJMNWSCX-ZDUSSCGKSA-N 0 3 325.836 3.303 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OC)c1[O-] ZINC001233289273 1376606545 /nfs/dbraw/zinc/60/65/45/1376606545.db2.gz PHHPIPQNKRUAGG-UGFHNGPFSA-N 0 3 325.836 3.301 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OC)c1[O-] ZINC001233289273 1376606549 /nfs/dbraw/zinc/60/65/49/1376606549.db2.gz PHHPIPQNKRUAGG-UGFHNGPFSA-N 0 3 325.836 3.301 20 10 EGCDHN Cc1cc([O-])c(C[N@H+]2CCCC[C@@](C)(O)C2)cc1Br ZINC001237675709 1376982828 /nfs/dbraw/zinc/98/28/28/1376982828.db2.gz AEFHYYFEQBOFNG-OAHLLOKOSA-N 0 3 328.250 3.200 20 10 EGCDHN CC1(C)C[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])[C@@](C)(CO)C1 ZINC001237053804 1376972071 /nfs/dbraw/zinc/97/20/71/1376972071.db2.gz QVJMSTHVKCTGTF-MRXNPFEDSA-N 0 3 347.377 3.316 20 10 EGCDHN CC1(C)C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])[C@@](C)(CO)C1 ZINC001237053804 1376972074 /nfs/dbraw/zinc/97/20/74/1376972074.db2.gz QVJMSTHVKCTGTF-MRXNPFEDSA-N 0 3 347.377 3.316 20 10 EGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CCC[C@]12CCOC2 ZINC001237061051 1376974121 /nfs/dbraw/zinc/97/41/21/1376974121.db2.gz ZZYAZLKCYBDCOD-OAHLLOKOSA-N 0 3 331.334 3.088 20 10 EGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CCC[C@]12CCOC2 ZINC001237061051 1376974123 /nfs/dbraw/zinc/97/41/23/1376974123.db2.gz ZZYAZLKCYBDCOD-OAHLLOKOSA-N 0 3 331.334 3.088 20 10 EGCDHN Cc1cc([O-])c(C[N@@H+]2CCCC[C@@](C)(O)C2)cc1Br ZINC001237675709 1376982818 /nfs/dbraw/zinc/98/28/18/1376982818.db2.gz AEFHYYFEQBOFNG-OAHLLOKOSA-N 0 3 328.250 3.200 20 10 EGCDHN Cc1c(CN2CCC[C@@H](NC(=O)C3CCC3)C2)c2ccccc2n1C ZINC001138260081 1377695832 /nfs/dbraw/zinc/69/58/32/1377695832.db2.gz UFLKVPNTPJNANZ-QGZVFWFLSA-N 0 3 339.483 3.367 20 10 EGCDHN COc1ccc(N2CCN(Cc3ccc(N(C)C)c(C)c3)CC2)cc1 ZINC001139669604 1377930583 /nfs/dbraw/zinc/93/05/83/1377930583.db2.gz DBCYLOIWKVXQGF-UHFFFAOYSA-N 0 3 339.483 3.392 20 10 EGCDHN Cc1cc(CN2CCC(Oc3ncc(F)cn3)CC2)ccc1N(C)C ZINC001139674587 1377932384 /nfs/dbraw/zinc/93/23/84/1377932384.db2.gz XGYYBXFVKYAJNM-UHFFFAOYSA-N 0 3 344.434 3.034 20 10 EGCDHN OC1CCN(c2ccc(CN3CC[C@H](C(F)(F)F)C3)cc2)CC1 ZINC001140285294 1378041120 /nfs/dbraw/zinc/04/11/20/1378041120.db2.gz HVQLBJBZGSBNBU-AWEZNQCLSA-N 0 3 328.378 3.032 20 10 EGCDHN [O-]c1cc(Cl)ccc1CN1CC[C@@H]([NH+]2CCCCC2)[C@@H](F)C1 ZINC001140468651 1378068953 /nfs/dbraw/zinc/06/89/53/1378068953.db2.gz SNSVFJNNGVGFSV-JKSUJKDBSA-N 0 3 326.843 3.444 20 10 EGCDHN CCOC[C@H]1CN(Cc2cc(C)ccc2O)Cc2cn(CC)nc21 ZINC001140620111 1378099432 /nfs/dbraw/zinc/09/94/32/1378099432.db2.gz CMFYJEFEQTWEIW-QGZVFWFLSA-N 0 3 329.444 3.053 20 10 EGCDHN Cc1cc(F)ccc1N1CCN(Cc2ccc(O)c(C)c2O)CC1 ZINC001140747524 1378128880 /nfs/dbraw/zinc/12/88/80/1378128880.db2.gz DGWFKHUIVOUDQH-UHFFFAOYSA-N 0 3 330.403 3.176 20 10 EGCDHN CCOc1ccc(N2CCN(Cc3cnc4cc[nH]cc3-4)CC2)cc1 ZINC001140805864 1378143427 /nfs/dbraw/zinc/14/34/27/1378143427.db2.gz ONHDSKJKKTWZRC-UHFFFAOYSA-N 0 3 336.439 3.284 20 10 EGCDHN CCOc1ccc(N2CCN(Cc3c[nH]c4ccncc34)CC2)cc1 ZINC001140805864 1378143431 /nfs/dbraw/zinc/14/34/31/1378143431.db2.gz ONHDSKJKKTWZRC-UHFFFAOYSA-N 0 3 336.439 3.284 20 10 EGCDHN Cc1ccc(C[NH+]2CCC(c3nc4ccc(C)cn4n3)CC2)c([O-])c1 ZINC001140949731 1378189747 /nfs/dbraw/zinc/18/97/47/1378189747.db2.gz HDEPUFIQKAMPAI-UHFFFAOYSA-N 0 3 336.439 3.431 20 10 EGCDHN COC(=O)[C@H]1C[N@H+](Cc2ccc(C)cc2[O-])C[C@H]1c1ccccc1 ZINC001140954488 1378191909 /nfs/dbraw/zinc/19/19/09/1378191909.db2.gz UIEYJVHZLYVMFA-ROUUACIJSA-N 0 3 325.408 3.089 20 10 EGCDHN COC(=O)[C@H]1C[N@@H+](Cc2ccc(C)cc2[O-])C[C@H]1c1ccccc1 ZINC001140954488 1378191913 /nfs/dbraw/zinc/19/19/13/1378191913.db2.gz UIEYJVHZLYVMFA-ROUUACIJSA-N 0 3 325.408 3.089 20 10 EGCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)c(OC)c1 ZINC001141028396 1378212486 /nfs/dbraw/zinc/21/24/86/1378212486.db2.gz MXMPSLILICDZRB-OAHLLOKOSA-N 0 3 329.396 3.063 20 10 EGCDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)c(OC)c1 ZINC001141028396 1378212491 /nfs/dbraw/zinc/21/24/91/1378212491.db2.gz MXMPSLILICDZRB-OAHLLOKOSA-N 0 3 329.396 3.063 20 10 EGCDHN CCn1ccc(CN(C)Cc2ccc(N3CCN(C)CC3)c(F)c2)c1 ZINC001320723419 1386701162 /nfs/dbraw/zinc/70/11/62/1386701162.db2.gz PBSBINBRBPPSTQ-UHFFFAOYSA-N 0 3 344.478 3.031 20 10 EGCDHN C[C@@H]1OCC[C@@]12CN(Cc1ccc(N3CCCC3)cc1)C[C@@H](C)O2 ZINC001322333444 1387161325 /nfs/dbraw/zinc/16/13/25/1387161325.db2.gz HYTOPSKZRYHUBJ-FUHIMQAGSA-N 0 3 330.472 3.055 20 10 EGCDHN CN(C)C(=O)OC[C@@H]1CCCCN1Cc1ccc(N2CCCC2)cc1 ZINC001343284346 1390704765 /nfs/dbraw/zinc/70/47/65/1390704765.db2.gz JPXLKYLXUVZUPY-IBGZPJMESA-N 0 3 345.487 3.340 20 10 EGCDHN CN1CCN(c2ccc(CNc3ccc4[nH]cnc4c3)cc2F)CC1 ZINC001348594417 1391243215 /nfs/dbraw/zinc/24/32/15/1391243215.db2.gz DRPBGKUSPRKODN-UHFFFAOYSA-N 0 3 339.418 3.066 20 10 EGCDHN CN1CCN(c2ccc(CNc3ccc4nc[nH]c4c3)cc2F)CC1 ZINC001348594417 1391243216 /nfs/dbraw/zinc/24/32/16/1391243216.db2.gz DRPBGKUSPRKODN-UHFFFAOYSA-N 0 3 339.418 3.066 20 10 EGCDHN C[C@@H](NCc1cc(F)c(N(C)C)cc1F)[C@H](O)Cc1ccccc1 ZINC001351330626 1391628136 /nfs/dbraw/zinc/62/81/36/1391628136.db2.gz LBLANYDQSOHYAP-BFUOFWGJSA-N 0 3 334.410 3.113 20 10 EGCDHN COc1ccc([O-])c(C[N@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000183381387 455285219 /nfs/dbraw/zinc/28/52/19/455285219.db2.gz WUXJKQBUQUDAEF-CQSZACIVSA-N 0 3 338.411 3.175 20 10 EGCDHN COc1ccc([O-])c(C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000183381387 455285222 /nfs/dbraw/zinc/28/52/22/455285222.db2.gz WUXJKQBUQUDAEF-CQSZACIVSA-N 0 3 338.411 3.175 20 10 EGCDHN Cc1ccc([C@@H](C[NH2+][C@@H](C)c2ccccc2[O-])N2CCOCC2)cc1 ZINC000183432844 455291530 /nfs/dbraw/zinc/29/15/30/455291530.db2.gz LWAHVJUBRZLKKC-FXAWDEMLSA-N 0 3 340.467 3.425 20 10 EGCDHN C[C@@H]1CN(c2ccc(CNCc3cccn3C)cc2F)C[C@H](C)O1 ZINC000265660615 455358057 /nfs/dbraw/zinc/35/80/57/455358057.db2.gz RLXPXEHDCHBGSP-GASCZTMLSA-N 0 3 331.435 3.068 20 10 EGCDHN CCOc1cccc(C[NH2+]CCCc2nc3ccccc3n2C)c1[O-] ZINC000076901245 454047346 /nfs/dbraw/zinc/04/73/46/454047346.db2.gz RCUOOBYJBKQVAX-UHFFFAOYSA-N 0 3 339.439 3.400 20 10 EGCDHN COC(=O)C[C@H]1CSCC[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC000077164720 454069345 /nfs/dbraw/zinc/06/93/45/454069345.db2.gz PCEDFDCWPUXKQC-AWEZNQCLSA-N 0 3 331.437 3.026 20 10 EGCDHN COC(=O)C[C@H]1CSCC[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC000077164720 454069348 /nfs/dbraw/zinc/06/93/48/454069348.db2.gz PCEDFDCWPUXKQC-AWEZNQCLSA-N 0 3 331.437 3.026 20 10 EGCDHN COc1cccc(CN(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000071004442 454192429 /nfs/dbraw/zinc/19/24/29/454192429.db2.gz XIYYJIQQGCQZHV-UHFFFAOYSA-N 0 3 326.440 3.164 20 10 EGCDHN COc1ccc([O-])c(C[NH2+]C2CCN(Cc3ccccc3)CC2)c1 ZINC000074333666 454566848 /nfs/dbraw/zinc/56/68/48/454566848.db2.gz PUPOKONLDJDBJD-UHFFFAOYSA-N 0 3 326.440 3.155 20 10 EGCDHN Cc1cc(O)c(CN2CCN([C@@H](C)c3cccnc3)CC2)cc1C ZINC000093413283 454714067 /nfs/dbraw/zinc/71/40/67/454714067.db2.gz XLALZZBPLUAWPY-KRWDZBQOSA-N 0 3 325.456 3.283 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccccc2Cn2cccn2)c1 ZINC000184911251 455471822 /nfs/dbraw/zinc/47/18/22/455471822.db2.gz JQYNPVXZLGZAGR-OAHLLOKOSA-N 0 3 337.423 3.496 20 10 EGCDHN COc1ccc([C@H]2CC[N@H+](Cc3cc4c(cc3[O-])OCO4)C2)cc1 ZINC000154560067 454907316 /nfs/dbraw/zinc/90/73/16/454907316.db2.gz FGHBWVYMRUHLTR-AWEZNQCLSA-N 0 3 327.380 3.119 20 10 EGCDHN COc1ccc([C@H]2CC[N@@H+](Cc3cc4c(cc3[O-])OCO4)C2)cc1 ZINC000154560067 454907319 /nfs/dbraw/zinc/90/73/19/454907319.db2.gz FGHBWVYMRUHLTR-AWEZNQCLSA-N 0 3 327.380 3.119 20 10 EGCDHN CSCC[C@@H](N)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000166472513 454911941 /nfs/dbraw/zinc/91/19/41/454911941.db2.gz VMEVBLSWNRSZNO-GOSISDBHSA-N 0 3 349.544 3.152 20 10 EGCDHN C[C@@H](N[C@H]1CCCCNC1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000177872871 454914169 /nfs/dbraw/zinc/91/41/69/454914169.db2.gz ANDHUEZXAHWKEH-PBHICJAKSA-N 0 3 333.451 3.135 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]C2CCN(Cc3ccccn3)CC2)c([O-])c1 ZINC000185053954 455493236 /nfs/dbraw/zinc/49/32/36/455493236.db2.gz WEWTVZNEHPJZOT-INIZCTEOSA-N 0 3 325.456 3.411 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC(NC(=O)C3CC3)CC2)cc1 ZINC000179916800 455098333 /nfs/dbraw/zinc/09/83/33/455098333.db2.gz QMTKSCLTFHKBSM-UHFFFAOYSA-N 0 3 329.488 3.023 20 10 EGCDHN Cc1cccc(C[N@H+]2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c1[O-] ZINC000180055861 455124617 /nfs/dbraw/zinc/12/46/17/455124617.db2.gz FUQDPAFKJCMCBH-OAHLLOKOSA-N 0 3 334.460 3.389 20 10 EGCDHN Cc1cccc(C[N@@H+]2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c1[O-] ZINC000180055861 455124623 /nfs/dbraw/zinc/12/46/23/455124623.db2.gz FUQDPAFKJCMCBH-OAHLLOKOSA-N 0 3 334.460 3.389 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CC[C@H](O)C2)c1[O-] ZINC000189281872 455169260 /nfs/dbraw/zinc/16/92/60/455169260.db2.gz GIUWFECJKYUBJV-WZRBSPASSA-N 0 3 328.250 3.275 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CC[C@H](O)C2)c1[O-] ZINC000189281933 455169621 /nfs/dbraw/zinc/16/96/21/455169621.db2.gz GIUWFECJKYUBJV-GVXVVHGQSA-N 0 3 328.250 3.275 20 10 EGCDHN COc1cccc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1[O-] ZINC000237500499 455190147 /nfs/dbraw/zinc/19/01/47/455190147.db2.gz JMEKAAWGHYBTQI-LJQANCHMSA-N 0 3 341.407 3.413 20 10 EGCDHN COc1ccc([O-])c(C[NH2+]C[C@H](c2ccc(C)o2)N2CCCC2)c1 ZINC000181068535 455283310 /nfs/dbraw/zinc/28/33/10/455283310.db2.gz AFIOICDSNGSUIN-QGZVFWFLSA-N 0 3 330.428 3.229 20 10 EGCDHN C[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1[O-] ZINC000183442439 455293370 /nfs/dbraw/zinc/29/33/70/455293370.db2.gz GXINFBKAAZGUPP-INIZCTEOSA-N 0 3 340.467 3.452 20 10 EGCDHN CCOc1ccc([O-])c(C[NH2+]C[C@](C)(O)c2ccc(F)cc2F)c1 ZINC000265133341 455300850 /nfs/dbraw/zinc/30/08/50/455300850.db2.gz JKXHRGWMIMQOJO-SFHVURJKSA-N 0 3 337.366 3.066 20 10 EGCDHN COc1ccc([O-])c(C[NH2+]C[C@@H](c2ccco2)N2CCCCC2)c1 ZINC000181615013 455363201 /nfs/dbraw/zinc/36/32/01/455363201.db2.gz SEYBQBFXWARTRB-KRWDZBQOSA-N 0 3 330.428 3.311 20 10 EGCDHN CCN1CCN(c2cccc(NC(=O)c3ccc(F)cc3F)c2)CC1 ZINC000184280343 455367908 /nfs/dbraw/zinc/36/79/08/455367908.db2.gz WVKIWXYBQNQRCG-UHFFFAOYSA-N 0 3 345.393 3.359 20 10 EGCDHN C[C@@H](C[S@@](C)=O)N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000184296399 455368674 /nfs/dbraw/zinc/36/86/74/455368674.db2.gz CCKHHJNUSHVWFG-FBJOKTGGSA-N 0 3 326.481 3.234 20 10 EGCDHN COc1cc([O-])c(C[N@@H+]2CCCN(c3ccccc3)CC2)cc1OC ZINC000159907854 455414720 /nfs/dbraw/zinc/41/47/20/455414720.db2.gz KDWPNHNXNMMOHK-UHFFFAOYSA-N 0 3 342.439 3.122 20 10 EGCDHN COc1cc([O-])c(C[N@H+]2CCCN(c3ccccc3)CC2)cc1OC ZINC000159907854 455414724 /nfs/dbraw/zinc/41/47/24/455414724.db2.gz KDWPNHNXNMMOHK-UHFFFAOYSA-N 0 3 342.439 3.122 20 10 EGCDHN CCO[C@H]1C[C@@H]([N@H+](C)Cc2cc(OC)c(OC)cc2[O-])C12CCC2 ZINC000160429244 455457725 /nfs/dbraw/zinc/45/77/25/455457725.db2.gz OYJWXXVVQWUQEB-MSOLQXFVSA-N 0 3 335.444 3.189 20 10 EGCDHN CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(OC)c(OC)cc2[O-])C12CCC2 ZINC000160429244 455457731 /nfs/dbraw/zinc/45/77/31/455457731.db2.gz OYJWXXVVQWUQEB-MSOLQXFVSA-N 0 3 335.444 3.189 20 10 EGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H](c2ccccc2)N2CCOCC2)c1 ZINC000184919152 455472586 /nfs/dbraw/zinc/47/25/86/455472586.db2.gz WJOPDPOAIWBJPH-FXAWDEMLSA-N 0 3 340.467 3.425 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)c1 ZINC000185464260 455560601 /nfs/dbraw/zinc/56/06/01/455560601.db2.gz OESZLNBSLCVYIV-ZFWWWQNUSA-N 0 3 340.423 3.136 20 10 EGCDHN COc1cc(OC)cc([C@@H](O)C[NH2+][C@H](C)c2cc(C)ccc2[O-])c1 ZINC000185486810 455564567 /nfs/dbraw/zinc/56/45/67/455564567.db2.gz PBOVOMAYSGGVQH-YJYMSZOUSA-N 0 3 331.412 3.102 20 10 EGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C2CCN(c3cc(C)nc(C)n3)CC2)c1 ZINC000185654762 455590382 /nfs/dbraw/zinc/59/03/82/455590382.db2.gz PEWQKPLQDDGSGL-HNNXBMFYSA-N 0 3 340.471 3.427 20 10 EGCDHN CCOc1cccc(CN[C@H](CN(C)C)c2ccc(OC)cc2)c1O ZINC000283803439 455596407 /nfs/dbraw/zinc/59/64/07/455596407.db2.gz AUKFUBCEQVUYNN-GOSISDBHSA-N 0 3 344.455 3.192 20 10 EGCDHN C[C@H](NCCCS(C)(=O)=O)c1ccc(N2CCCCCC2)cc1 ZINC000268947377 455740613 /nfs/dbraw/zinc/74/06/13/455740613.db2.gz WYQXTNSZWWWHTD-INIZCTEOSA-N 0 3 338.517 3.152 20 10 EGCDHN CCOCc1cc(CN[C@H]2CCO[C@@H]2c2cccnc2)ccc1OC ZINC000284907134 455759691 /nfs/dbraw/zinc/75/96/91/455759691.db2.gz HVXMBTFXFMROIL-AZUAARDMSA-N 0 3 342.439 3.247 20 10 EGCDHN C[C@@H]([NH2+]CCCCNC(=O)OC(C)(C)C)c1cc(F)ccc1[O-] ZINC000186517999 455785302 /nfs/dbraw/zinc/78/53/02/455785302.db2.gz KMJGFCPXQBYFAP-GFCCVEGCSA-N 0 3 326.412 3.487 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCN(c3ccccc3F)C2)c1 ZINC000293722999 455795902 /nfs/dbraw/zinc/79/59/02/455795902.db2.gz PRSHGCYDHCTABQ-KBPBESRZSA-N 0 3 330.403 3.469 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3F)C2)c1 ZINC000293723030 455796092 /nfs/dbraw/zinc/79/60/92/455796092.db2.gz PRSHGCYDHCTABQ-ZIAGYGMSSA-N 0 3 330.403 3.469 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@H]2C[C@H](C)O)c1[O-] ZINC000271902592 455797681 /nfs/dbraw/zinc/79/76/81/455797681.db2.gz ZPBJJGCUMYPPLJ-FZMZJTMJSA-N 0 3 328.250 3.198 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@H]2C[C@H](C)O)c1[O-] ZINC000271902592 455797684 /nfs/dbraw/zinc/79/76/84/455797684.db2.gz ZPBJJGCUMYPPLJ-FZMZJTMJSA-N 0 3 328.250 3.198 20 10 EGCDHN COc1cccc(CN2CCC(O)(Cc3cccc(F)c3)CC2)c1O ZINC000186590133 455800758 /nfs/dbraw/zinc/80/07/58/455800758.db2.gz MVBMTVFWUBLQCX-UHFFFAOYSA-N 0 3 345.414 3.110 20 10 EGCDHN COc1cccc(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)c1[O-] ZINC000186590133 455800760 /nfs/dbraw/zinc/80/07/60/455800760.db2.gz MVBMTVFWUBLQCX-UHFFFAOYSA-N 0 3 345.414 3.110 20 10 EGCDHN CC[C@H]1CN(Cc2ccc(N3CCC(OC)CC3)cc2)CCCO1 ZINC000295304782 455845312 /nfs/dbraw/zinc/84/53/12/455845312.db2.gz KJBYZPGDSBCDDS-IBGZPJMESA-N 0 3 332.488 3.303 20 10 EGCDHN C[C@@H]1CN(c2ccc(CNC[C@@H]3CCC=CO3)cc2F)C[C@H](C)O1 ZINC000278844623 455849840 /nfs/dbraw/zinc/84/98/40/455849840.db2.gz KHRSSBVQQYAGQI-UXLLHSPISA-N 0 3 334.435 3.222 20 10 EGCDHN Cc1cc(C)n(-c2ccc(C[NH2+][C@@H]3CCc4cccc([O-])c43)cn2)n1 ZINC000295960140 455864301 /nfs/dbraw/zinc/86/43/01/455864301.db2.gz MBCSEKNPYDWUHG-QGZVFWFLSA-N 0 3 334.423 3.367 20 10 EGCDHN CC[C@@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(C)cc1[O-] ZINC000280278210 455934066 /nfs/dbraw/zinc/93/40/66/455934066.db2.gz YKIBCLDBKLKZFJ-KGLIPLIRSA-N 0 3 344.377 3.295 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000187673511 455937371 /nfs/dbraw/zinc/93/73/71/455937371.db2.gz MRODMMLFMLMEBC-RTBURBONSA-N 0 3 327.424 3.364 20 10 EGCDHN [O-]c1ccccc1C[N@H+](Cc1ccc(CO)cc1)C[C@@H]1CCCO1 ZINC000272496836 455970846 /nfs/dbraw/zinc/97/08/46/455970846.db2.gz NKVDZUMVWFOPJU-IBGZPJMESA-N 0 3 327.424 3.066 20 10 EGCDHN [O-]c1ccccc1C[N@@H+](Cc1ccc(CO)cc1)C[C@@H]1CCCO1 ZINC000272496836 455970849 /nfs/dbraw/zinc/97/08/49/455970849.db2.gz NKVDZUMVWFOPJU-IBGZPJMESA-N 0 3 327.424 3.066 20 10 EGCDHN O=C(Nc1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000296624442 455992768 /nfs/dbraw/zinc/99/27/68/455992768.db2.gz ZLNOTOHPTPIFCE-DLBZAZTESA-N 0 3 337.423 3.276 20 10 EGCDHN COc1ccc(O)c([C@H](C)N[C@@H](CN(C)C)c2ccc(F)cc2)c1 ZINC000286854938 456056026 /nfs/dbraw/zinc/05/60/26/456056026.db2.gz ASFTVFYNIREUMM-UGSOOPFHSA-N 0 3 332.419 3.493 20 10 EGCDHN CC[C@H]([NH2+]Cc1ccncc1OC[C@H]1CCOC1)c1ccccc1[O-] ZINC000287449222 456069002 /nfs/dbraw/zinc/06/90/02/456069002.db2.gz UXVKWGJJBGMOLB-YJBOKZPZSA-N 0 3 342.439 3.443 20 10 EGCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)c1 ZINC000287730837 456076373 /nfs/dbraw/zinc/07/63/73/456076373.db2.gz YKKDONJPZSUFDN-JKSUJKDBSA-N 0 3 331.460 3.031 20 10 EGCDHN COc1cc(OC)cc(OCC[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000297021884 456095106 /nfs/dbraw/zinc/09/51/06/456095106.db2.gz UHTVFOKCULATGY-KRWDZBQOSA-N 0 3 329.396 3.065 20 10 EGCDHN CC(C)N(Cc1ccc(N(C)C)cc1)Cc1cnc(N(C)C)nc1 ZINC000271084967 456121815 /nfs/dbraw/zinc/12/18/15/456121815.db2.gz SWNVOEWGMXOUCD-UHFFFAOYSA-N 0 3 327.476 3.019 20 10 EGCDHN CCOc1cccc(CN(Cc2ccc(C(N)=O)cc2)C2CC2)c1O ZINC000271099492 456126302 /nfs/dbraw/zinc/12/63/02/456126302.db2.gz ORMNSFWKUAFFBC-UHFFFAOYSA-N 0 3 340.423 3.054 20 10 EGCDHN CCCOc1ccc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c([O-])c1 ZINC000289532329 456128696 /nfs/dbraw/zinc/12/86/96/456128696.db2.gz HRICWTFAUOWLJB-INIZCTEOSA-N 0 3 347.377 3.460 20 10 EGCDHN CCCOc1ccc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c([O-])c1 ZINC000289532329 456128699 /nfs/dbraw/zinc/12/86/99/456128699.db2.gz HRICWTFAUOWLJB-INIZCTEOSA-N 0 3 347.377 3.460 20 10 EGCDHN CC[C@H](C)NC(=O)CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000263657250 456183937 /nfs/dbraw/zinc/18/39/37/456183937.db2.gz GKTJWWWLXZLLTA-HNNXBMFYSA-N 0 3 326.440 3.454 20 10 EGCDHN O=[N+]([O-])c1cc(Cl)cc(CNC2CC[NH+](C3CCC3)CC2)c1[O-] ZINC000263667899 456186507 /nfs/dbraw/zinc/18/65/07/456186507.db2.gz IXLHKDRBKLAFEM-UHFFFAOYSA-N 0 3 339.823 3.060 20 10 EGCDHN CCOc1cccc(C[N@H+](C)CCCN(C)Cc2ccco2)c1[O-] ZINC000289940849 456189322 /nfs/dbraw/zinc/18/93/22/456189322.db2.gz XENZYKRWCVZUGF-UHFFFAOYSA-N 0 3 332.444 3.338 20 10 EGCDHN CCOc1cccc(C[N@@H+](C)CCCN(C)Cc2ccco2)c1[O-] ZINC000289940849 456189328 /nfs/dbraw/zinc/18/93/28/456189328.db2.gz XENZYKRWCVZUGF-UHFFFAOYSA-N 0 3 332.444 3.338 20 10 EGCDHN COC[C@@]1(C[NH2+][C@H](C)c2ccc(C)cc2[O-])OCCc2ccccc21 ZINC000289982639 456205510 /nfs/dbraw/zinc/20/55/10/456205510.db2.gz XYUAIPVDMNPRAQ-IIBYNOLFSA-N 0 3 341.451 3.466 20 10 EGCDHN CC(C)(C)OC(=O)C1CCC([NH2+]Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000271302392 456212451 /nfs/dbraw/zinc/21/24/51/456212451.db2.gz UWKXWWSQRUGSJR-UHFFFAOYSA-N 0 3 349.427 3.111 20 10 EGCDHN Cc1ccc(CN2CC[C@H]([NH2+][C@@H](C)c3ccc(C)cc3[O-])C2=O)cc1 ZINC000189080134 456220949 /nfs/dbraw/zinc/22/09/49/456220949.db2.gz AKBODNNYKMATIF-LPHOPBHVSA-N 0 3 338.451 3.461 20 10 EGCDHN C[C@@H]([NH2+]CC1=CCN(C)CC1)c1cc(Br)ccc1[O-] ZINC000273359596 456225057 /nfs/dbraw/zinc/22/50/57/456225057.db2.gz DLHUSMFSQFSMAM-LLVKDONJSA-N 0 3 325.250 3.067 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccccc2Cn2ccnc2)c1 ZINC000273414893 456229241 /nfs/dbraw/zinc/22/92/41/456229241.db2.gz QQEUBYQGHVAEEM-OAHLLOKOSA-N 0 3 337.423 3.496 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCNC(=O)c2ccc(Cl)cc2)c1 ZINC000273595956 456241385 /nfs/dbraw/zinc/24/13/85/456241385.db2.gz QQEBMGVESKLTSV-GFCCVEGCSA-N 0 3 348.830 3.135 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+][C@H](C)[C@H](O)c2cccc(F)c2)c1[O-] ZINC000273736233 456243261 /nfs/dbraw/zinc/24/32/61/456243261.db2.gz LDXHOBDOCMUEHS-HWPZZCPQSA-N 0 3 339.794 3.405 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C2CCN(c3nccs3)CC2)c1 ZINC000281526463 456257057 /nfs/dbraw/zinc/25/70/57/456257057.db2.gz HYHZIHPFFVDDFG-GFCCVEGCSA-N 0 3 333.457 3.177 20 10 EGCDHN Cc1nccn1CC[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000275337293 456272843 /nfs/dbraw/zinc/27/28/43/456272843.db2.gz NZZCVVPJIWWAGC-NSHDSACASA-N 0 3 338.249 3.319 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)Cn2ccnc2)c1[O-] ZINC000275368089 456274283 /nfs/dbraw/zinc/27/42/83/456274283.db2.gz UZLFBXSWQPVPCX-RYUDHWBXSA-N 0 3 338.249 3.399 20 10 EGCDHN CCOc1cccc(CN[C@H]2CCCN(C3CCCCC3)C2=O)c1O ZINC000276205653 456413593 /nfs/dbraw/zinc/41/35/93/456413593.db2.gz OBSDFISJFSCAMR-KRWDZBQOSA-N 0 3 346.471 3.204 20 10 EGCDHN O=C(Nc1ccccc1)N1CC[C@H](NCc2ccc3c(c2)CCO3)C1 ZINC000282324602 456476669 /nfs/dbraw/zinc/47/66/69/456476669.db2.gz ALRGMKROYHUWQV-SFHVURJKSA-N 0 3 337.423 3.018 20 10 EGCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NCC(F)(F)F ZINC000282415131 456505747 /nfs/dbraw/zinc/50/57/47/456505747.db2.gz IUJKAXFTIYOLOE-GFCCVEGCSA-N 0 3 332.366 3.061 20 10 EGCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NCC(F)(F)F ZINC000282415131 456505750 /nfs/dbraw/zinc/50/57/50/456505750.db2.gz IUJKAXFTIYOLOE-GFCCVEGCSA-N 0 3 332.366 3.061 20 10 EGCDHN Cc1ccc([O-])c(C[NH2+][C@H](C)c2ccc(N3CCCNC3=O)cc2)c1 ZINC000291073753 456519332 /nfs/dbraw/zinc/51/93/32/456519332.db2.gz MFGKQXIUGLKBGW-OAHLLOKOSA-N 0 3 339.439 3.471 20 10 EGCDHN COc1ccc([O-])c(C[NH+]2CCC([C@H](O)c3ccc(F)cc3)CC2)c1 ZINC000305782237 456558333 /nfs/dbraw/zinc/55/83/33/456558333.db2.gz VIWRDQRJOZZIQZ-HXUWFJFHSA-N 0 3 345.414 3.486 20 10 EGCDHN COc1ccc(O)c(CN2CCC([C@H](O)c3ccc(F)cc3)CC2)c1 ZINC000305782237 456558341 /nfs/dbraw/zinc/55/83/41/456558341.db2.gz VIWRDQRJOZZIQZ-HXUWFJFHSA-N 0 3 345.414 3.486 20 10 EGCDHN CCNC(=O)C1(C[NH2+][C@@H](C)c2cc3c(cc2[O-])CCCC3)CCC1 ZINC000276824639 456591559 /nfs/dbraw/zinc/59/15/59/456591559.db2.gz AXJYTCDEPXERIY-AWEZNQCLSA-N 0 3 330.472 3.228 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c1[O-] ZINC000359955439 457170787 /nfs/dbraw/zinc/17/07/87/457170787.db2.gz IHKIWBKWHGYSAM-WQVCFCJDSA-N 0 3 325.836 3.347 20 10 EGCDHN [O-]c1ccccc1C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000374889620 457727944 /nfs/dbraw/zinc/72/79/44/457727944.db2.gz CNLUPUWGSDMCAZ-UHFFFAOYSA-N 0 3 336.233 3.188 20 10 EGCDHN COc1ccc([O-])c(C[NH2+]C[C@@H]2CCCN(c3ccccc3)C2)c1 ZINC000366021369 457788797 /nfs/dbraw/zinc/78/87/97/457788797.db2.gz AIXXCMYDBXSHPH-INIZCTEOSA-N 0 3 326.440 3.407 20 10 EGCDHN C=Cn1cc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cn1 ZINC000373198334 458426817 /nfs/dbraw/zinc/42/68/17/458426817.db2.gz PPBYJSXRODNOLI-QGZVFWFLSA-N 0 3 346.862 3.097 20 10 EGCDHN O=C(/C=C\c1cncs1)N(CCN1CCCC1)c1ccccc1 ZINC000492951934 459727626 /nfs/dbraw/zinc/72/76/26/459727626.db2.gz KTRTYJZGMHOSQB-HJWRWDBZSA-N 0 3 327.453 3.285 20 10 EGCDHN COc1ccc(N(C)C(=O)c2cccc3c2CCNC3)cc1Cl ZINC000662633911 461329092 /nfs/dbraw/zinc/32/90/92/461329092.db2.gz BUIWONHXSDACQR-UHFFFAOYSA-N 0 3 330.815 3.271 20 10 EGCDHN COc1ccc([O-])c(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000180452826 547056229 /nfs/dbraw/zinc/05/62/29/547056229.db2.gz CAGOTDONQDKQOY-FQEVSTJZSA-N 0 3 341.407 3.413 20 10 EGCDHN CN(C)CCOc1ccc(N(C)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000732410792 575268108 /nfs/dbraw/zinc/26/81/08/575268108.db2.gz HZZMLEBIINJXLR-UHFFFAOYSA-N 0 3 329.400 3.172 20 10 EGCDHN Cc1ccc([O-])c(C[NH2+]CCNc2ccc(-c3ccccc3)nn2)c1 ZINC000733327154 575327874 /nfs/dbraw/zinc/32/78/74/575327874.db2.gz MESLHHWQTCIARQ-UHFFFAOYSA-N 0 3 334.423 3.359 20 10 EGCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)N1CCCCCC1 ZINC000733892556 575411201 /nfs/dbraw/zinc/41/12/01/575411201.db2.gz OFWZYSGPNDPCEU-QGZVFWFLSA-N 0 3 331.504 3.366 20 10 EGCDHN CCN(CC)c1ccc(CNC(=O)[C@H](C)N2CCCCCC2)cc1 ZINC000733921810 575415179 /nfs/dbraw/zinc/41/51/79/575415179.db2.gz GLISKZIBXWRMMP-KRWDZBQOSA-N 0 3 331.504 3.414 20 10 EGCDHN Cc1cc(N(C)C)ccc1CNC(=O)NCC(C)(C)N1CCCCC1 ZINC000734519150 575499557 /nfs/dbraw/zinc/49/95/57/575499557.db2.gz OMORLGCLDNTIDP-UHFFFAOYSA-N 0 3 346.519 3.125 20 10 EGCDHN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000734520678 575507388 /nfs/dbraw/zinc/50/73/88/575507388.db2.gz JALSTONEHBKQQA-IRXDYDNUSA-N 0 3 346.519 3.123 20 10 EGCDHN Cc1cc(C(=O)NCCN2CC[C@H](C)C2)c(C)n1-c1ccccc1C ZINC000744795070 576834577 /nfs/dbraw/zinc/83/45/77/576834577.db2.gz GMIUZEXWYRJITJ-HNNXBMFYSA-N 0 3 339.483 3.474 20 10 EGCDHN COc1cccc([O-])c1C[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000045229520 1291509423 /nfs/dbraw/zinc/50/94/23/1291509423.db2.gz VWKYUMCPCNJTMG-OAHLLOKOSA-N 0 3 341.329 3.243 20 10 EGCDHN CC[C@H](NCC(=O)N(C)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000119101785 1293254364 /nfs/dbraw/zinc/25/43/64/1293254364.db2.gz GEGRXLGDJXRUTC-FQEVSTJZSA-N 0 3 339.483 3.452 20 10 EGCDHN Cn1ccc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1 ZINC000125499010 1293509058 /nfs/dbraw/zinc/50/90/58/1293509058.db2.gz YUNRFXZQKZWZRH-QGZVFWFLSA-N 0 3 333.863 3.138 20 10 EGCDHN CC(C)(C)c1cc(O)c(O)c(CN2CCS[C@@H]3COCC[C@@H]32)c1 ZINC000131073202 1293678055 /nfs/dbraw/zinc/67/80/55/1293678055.db2.gz KJAOYSNDUKCBRU-GOEBONIOSA-N 0 3 337.485 3.102 20 10 EGCDHN CCOC(=O)C[C@H]1CCC[N@@H+]1Cc1c([O-])ccc2ccc(OC)cc21 ZINC000165073534 1294355417 /nfs/dbraw/zinc/35/54/17/1294355417.db2.gz HSNQVVPZEKTIGK-OAHLLOKOSA-N 0 3 343.423 3.472 20 10 EGCDHN CCOC(=O)C[C@H]1CCC[N@H+]1Cc1c([O-])ccc2ccc(OC)cc21 ZINC000165073534 1294355423 /nfs/dbraw/zinc/35/54/23/1294355423.db2.gz HSNQVVPZEKTIGK-OAHLLOKOSA-N 0 3 343.423 3.472 20 10 EGCDHN CCOc1ccc(CN2CCN(Cc3ccccc3O)CC2)cc1 ZINC000179554779 1294803250 /nfs/dbraw/zinc/80/32/50/1294803250.db2.gz LANJZIBSCCZFEO-UHFFFAOYSA-N 0 3 326.440 3.109 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCC(=O)N(CC(C)C)CC(C)C)c1 ZINC000182360082 1295038910 /nfs/dbraw/zinc/03/89/10/1295038910.db2.gz KHBBZDWTDNGYOF-HNNXBMFYSA-N 0 3 336.476 3.192 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCC(=O)N[C@H](C)CCCC(C)C)c1 ZINC000182382426 1295042680 /nfs/dbraw/zinc/04/26/80/1295042680.db2.gz MUTUAAPRZKZRAN-CABCVRRESA-N 0 3 336.476 3.382 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2ccc(SC)cc2)c1 ZINC000182438076 1295046738 /nfs/dbraw/zinc/04/67/38/1295046738.db2.gz WIHMDHNUGFGRTJ-LBPRGKRZSA-N 0 3 346.452 3.412 20 10 EGCDHN C[C@@H]([NH2+]C[C@@H](c1ccccc1)N1CCOCC1)c1ccccc1[O-] ZINC000183396160 1295115529 /nfs/dbraw/zinc/11/55/29/1295115529.db2.gz JCMPMTWMNXOWEH-APWZRJJASA-N 0 3 326.440 3.116 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]CC2(N3CCOCC3)CCCCC2)c([O-])c1 ZINC000184858569 1295225022 /nfs/dbraw/zinc/22/50/22/1295225022.db2.gz SXDNPIUDPCXQSZ-KRWDZBQOSA-N 0 3 332.488 3.386 20 10 EGCDHN C[C@H]([NH2+]Cc1ccccc1N1CCOCC1)c1cc(F)ccc1[O-] ZINC000185188651 1295246460 /nfs/dbraw/zinc/24/64/60/1295246460.db2.gz ULABYNAALTULNC-AWEZNQCLSA-N 0 3 330.403 3.219 20 10 EGCDHN C[C@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)c1cc(F)ccc1[O-] ZINC000185342196 1295256255 /nfs/dbraw/zinc/25/62/55/1295256255.db2.gz ABFDKYVWBOLJQV-LBPRGKRZSA-N 0 3 326.412 3.439 20 10 EGCDHN COC(=O)COc1cccc(C[NH2+][C@H](C)c2ccc(C)cc2[O-])c1 ZINC000186049667 1295301514 /nfs/dbraw/zinc/30/15/14/1295301514.db2.gz BLYHLLBUBCJWQR-CQSZACIVSA-N 0 3 329.396 3.103 20 10 EGCDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2[O-])[C@@H]1Oc1ccccc1 ZINC000187636074 1295405651 /nfs/dbraw/zinc/40/56/51/1295405651.db2.gz RDKQORNINOJWMK-QRQLOZEOSA-N 0 3 331.387 3.246 20 10 EGCDHN COc1cc(C)cc(CN2CCN(Cc3cccc(C)c3)CC2)c1O ZINC000216348539 1296119198 /nfs/dbraw/zinc/11/91/98/1296119198.db2.gz URROKSXQDIGKKL-UHFFFAOYSA-N 0 3 340.467 3.335 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CC[C@@H](CO)CC2)c1[O-] ZINC000305802028 1297053801 /nfs/dbraw/zinc/05/38/01/1297053801.db2.gz XXGDPNRDQPZONK-VDISTLRHSA-N 0 3 328.250 3.104 20 10 EGCDHN C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCO1)c1cc(F)ccc1[O-] ZINC000311844321 1297112854 /nfs/dbraw/zinc/11/28/54/1297112854.db2.gz OCOZIZOIZHHCQF-YJBOKZPZSA-N 0 3 344.430 3.083 20 10 EGCDHN COc1ccc(CN[C@@H]2CCc3ccc(O)cc32)cc1Cn1cccn1 ZINC000873138505 1297293971 /nfs/dbraw/zinc/29/39/71/1297293971.db2.gz TVHAYAYZGRUTMG-HXUWFJFHSA-N 0 3 349.434 3.423 20 10 EGCDHN CC(C)(C)OC(=O)N[C@@H](C[NH2+][C@H]1CCc2cccc([O-])c21)C1CC1 ZINC000383740037 1297574925 /nfs/dbraw/zinc/57/49/25/1297574925.db2.gz CEYZBSATAYCKLY-GJZGRUSLSA-N 0 3 332.444 3.272 20 10 EGCDHN C[C@@H](NC(=O)NC[C@@H](c1ccccc1)N(C)C)c1ccccc1O ZINC000874988851 1298191812 /nfs/dbraw/zinc/19/18/12/1298191812.db2.gz GMAKRHZXSFNDAJ-PBHICJAKSA-N 0 3 327.428 3.055 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c1[O-] ZINC000724814351 1298348615 /nfs/dbraw/zinc/34/86/15/1298348615.db2.gz NFNFISFJKMLTKZ-RISCZKNCSA-N 0 3 326.234 3.074 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c1[O-] ZINC000724814351 1298348622 /nfs/dbraw/zinc/34/86/22/1298348622.db2.gz NFNFISFJKMLTKZ-RISCZKNCSA-N 0 3 326.234 3.074 20 10 EGCDHN CCOc1ccc(C[NH2+][C@H](CC(=O)N(C)C)c2ccccc2)c([O-])c1 ZINC000725846936 1298374340 /nfs/dbraw/zinc/37/43/40/1298374340.db2.gz YQXPXHSFOPRCHS-GOSISDBHSA-N 0 3 342.439 3.100 20 10 EGCDHN CC(C)COC[C@@H](O)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000725846658 1298375269 /nfs/dbraw/zinc/37/52/69/1298375269.db2.gz OGWXYXJBWUGWFO-IBGZPJMESA-N 0 3 329.440 3.182 20 10 EGCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000876642362 1298891927 /nfs/dbraw/zinc/89/19/27/1298891927.db2.gz YGKMJKUPNAZQNN-HNNXBMFYSA-N 0 3 334.460 3.437 20 10 EGCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000876642362 1298891930 /nfs/dbraw/zinc/89/19/30/1298891930.db2.gz YGKMJKUPNAZQNN-HNNXBMFYSA-N 0 3 334.460 3.437 20 10 EGCDHN Cc1cccc([O-])c1C[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000876649004 1298896817 /nfs/dbraw/zinc/89/68/17/1298896817.db2.gz JPADVHGHCPYNPR-UHFFFAOYSA-N 0 3 330.472 3.362 20 10 EGCDHN CCN(CCC(F)(F)F)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876657628 1298904247 /nfs/dbraw/zinc/90/42/47/1298904247.db2.gz PUHZWSDMXZGBJY-UHFFFAOYSA-N 0 3 330.394 3.422 20 10 EGCDHN Cc1cc(C(=O)NC2CC[NH+](Cc3c(C)cccc3[O-])CC2)c(C)o1 ZINC000876683811 1298919695 /nfs/dbraw/zinc/91/96/95/1298919695.db2.gz XOUMDZCFJOUCHS-UHFFFAOYSA-N 0 3 342.439 3.305 20 10 EGCDHN Cc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000876995385 1299106798 /nfs/dbraw/zinc/10/67/98/1299106798.db2.gz UBGKUXYMTKLYET-HNNXBMFYSA-N 0 3 334.460 3.437 20 10 EGCDHN CN(C)c1ccc(CN[C@@H]2CCN(c3cccc(Cl)c3)C2=O)cc1 ZINC000749927318 1299301149 /nfs/dbraw/zinc/30/11/49/1299301149.db2.gz UNTCSCGNYXPSDK-GOSISDBHSA-N 0 3 343.858 3.301 20 10 EGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCCNc1ncccn1 ZINC000751507954 1299560063 /nfs/dbraw/zinc/56/00/63/1299560063.db2.gz XETWADUYYKWPEL-UHFFFAOYSA-N 0 3 334.423 3.441 20 10 EGCDHN Cc1cc(C)c(O)c(CN2CCN(CCc3cccs3)CC2)c1 ZINC000754724144 1300201045 /nfs/dbraw/zinc/20/10/45/1300201045.db2.gz YYXOQWJBCYACSY-UHFFFAOYSA-N 0 3 330.497 3.431 20 10 EGCDHN C[C@@H]([NH2+]CCCN1CCCC1)c1cc(Br)c(F)cc1[O-] ZINC000756358939 1300476061 /nfs/dbraw/zinc/47/60/61/1300476061.db2.gz BKUUINVOZCWABO-LLVKDONJSA-N 0 3 345.256 3.430 20 10 EGCDHN CC(C)[C@H](C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)N1CCOCC1 ZINC000756369386 1300477748 /nfs/dbraw/zinc/47/77/48/1300477748.db2.gz SFIKNCKLVUTHSN-KBMXLJTQSA-N 0 3 336.451 3.026 20 10 EGCDHN C[C@H]1C[C@H]([NH2+]Cc2ccc(-n3ccnc3)nc2)c2c1c(F)ccc2[O-] ZINC000756393973 1300482790 /nfs/dbraw/zinc/48/27/90/1300482790.db2.gz UVZKMLBNWCXJCH-WFASDCNBSA-N 0 3 338.386 3.450 20 10 EGCDHN C[C@H]1C[C@@H]([NH2+]Cc2ccc(NC(N)=O)cc2)c2c1c(F)ccc2[O-] ZINC000756393727 1300482881 /nfs/dbraw/zinc/48/28/81/1300482881.db2.gz UGRRJOVDSTYEOC-IINYFYTJSA-N 0 3 329.375 3.360 20 10 EGCDHN C[C@@H](NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756418359 1300487304 /nfs/dbraw/zinc/48/73/04/1300487304.db2.gz ARROYLMNFDWBOH-RBSFLKMASA-N 0 3 335.448 3.319 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+]CC(=O)N(C)Cc2ccccc2)c2c1c(F)ccc2[O-] ZINC000756432666 1300489234 /nfs/dbraw/zinc/48/92/34/1300489234.db2.gz LBVBIDGMJRTHNB-CJNGLKHVSA-N 0 3 342.414 3.328 20 10 EGCDHN C[C@@H]([NH2+][C@H](CC(=O)N(C)C)c1ccccc1)c1cc(F)ccc1[O-] ZINC000756455384 1300496101 /nfs/dbraw/zinc/49/61/01/1300496101.db2.gz SFNAWHKIGFGCDA-CXAGYDPISA-N 0 3 330.403 3.402 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cncn3)cc2)c2c1c(F)ccc2[O-] ZINC000756545357 1300518615 /nfs/dbraw/zinc/51/86/15/1300518615.db2.gz LUHCHYBPTSTEAF-MLGOLLRUSA-N 0 3 338.386 3.450 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ncccc3F)C2)c2c1c(F)ccc2[O-] ZINC000756645353 1300540136 /nfs/dbraw/zinc/54/01/36/1300540136.db2.gz IWWFUEMVNWGIHP-LALPHHSUSA-N 0 3 345.393 3.482 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccccn3)C2)c2c1c(F)ccc2[O-] ZINC000756769557 1300563008 /nfs/dbraw/zinc/56/30/08/1300563008.db2.gz FYPCUVOHPTZWLT-VNHYZAJKSA-N 0 3 327.403 3.343 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+][C@@H](CO)C[C@H](O)c2ccccc2)c2c1c(F)ccc2[O-] ZINC000756770738 1300563691 /nfs/dbraw/zinc/56/36/91/1300563691.db2.gz MHMTYSCUBOUNNX-CAGXHZNZSA-N 0 3 345.414 3.154 20 10 EGCDHN COC(=O)/C=C\c1ccc(OCC[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000879649631 1300649137 /nfs/dbraw/zinc/64/91/37/1300649137.db2.gz ZZNIYGWXKYHDGG-HMVFGEFZSA-N 0 3 341.407 3.308 20 10 EGCDHN CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648668 1300649386 /nfs/dbraw/zinc/64/93/86/1300649386.db2.gz YNLVQMVJDBEHDO-OLZOCXBDSA-N 0 3 326.396 3.273 20 10 EGCDHN C[C@@H]([NH2+]CCC(=O)Nc1ccc(N(C)C)cc1)c1ccccc1[O-] ZINC000879649426 1300650289 /nfs/dbraw/zinc/65/02/89/1300650289.db2.gz SMEIQSQAUCEAOV-CQSZACIVSA-N 0 3 327.428 3.138 20 10 EGCDHN CCOc1ccc(NC(=O)CC[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000879648854 1300650342 /nfs/dbraw/zinc/65/03/42/1300650342.db2.gz COBHXFUIVZSSAH-CQSZACIVSA-N 0 3 328.412 3.470 20 10 EGCDHN CC1CCN(CC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000761710863 1301529555 /nfs/dbraw/zinc/52/95/55/1301529555.db2.gz ACKJNQUCBDPLCG-UHFFFAOYSA-N 0 3 343.515 3.367 20 10 EGCDHN Cc1cc(Cn2cc([C@@H](N)C(C)C)nn2)ccc1N1CCCCC1 ZINC000881379564 1301547794 /nfs/dbraw/zinc/54/77/94/1301547794.db2.gz USTIZKRZKCZYQG-IBGZPJMESA-N 0 3 327.476 3.281 20 10 EGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@@H](CCO)C1CCOCC1 ZINC000763465642 1301910085 /nfs/dbraw/zinc/91/00/85/1301910085.db2.gz BHNVTAKNFLZMEW-FQEVSTJZSA-N 0 3 341.451 3.326 20 10 EGCDHN CO[C@@H](CN[C@H](C)c1ccc(N2CCOCC2)cc1Cl)C(C)C ZINC000766365450 1302439357 /nfs/dbraw/zinc/43/93/57/1302439357.db2.gz FWSLVBKZXDWDMX-KDOFPFPSSA-N 0 3 340.895 3.498 20 10 EGCDHN O=C1C[C@@H]([NH2+]Cc2ccccc2[O-])CN1c1ccc(Cl)c(F)c1 ZINC000766492711 1302462915 /nfs/dbraw/zinc/46/29/15/1302462915.db2.gz VJVPPPXGPIGZFX-GFCCVEGCSA-N 0 3 334.778 3.080 20 10 EGCDHN COc1cccc([O-])c1C[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000768230098 1302860760 /nfs/dbraw/zinc/86/07/60/1302860760.db2.gz QMNIQOGDHNHRPS-UHFFFAOYSA-N 0 3 344.430 3.248 20 10 EGCDHN COc1cccc([O-])c1C[N@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000768230098 1302860770 /nfs/dbraw/zinc/86/07/70/1302860770.db2.gz QMNIQOGDHNHRPS-UHFFFAOYSA-N 0 3 344.430 3.248 20 10 EGCDHN Cc1ccc(C2=CC[N@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)CC2)cc1 ZINC000768440700 1302902588 /nfs/dbraw/zinc/90/25/88/1302902588.db2.gz BYFYXHZTPXQJCJ-HXUWFJFHSA-N 0 3 337.419 3.416 20 10 EGCDHN Cc1ccc(C2=CC[N@@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)CC2)cc1 ZINC000768440700 1302902595 /nfs/dbraw/zinc/90/25/95/1302902595.db2.gz BYFYXHZTPXQJCJ-HXUWFJFHSA-N 0 3 337.419 3.416 20 10 EGCDHN COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc3c(cc2[O-])OC[C@@H]3O)cc1 ZINC000768442003 1302903663 /nfs/dbraw/zinc/90/36/63/1302903663.db2.gz NFADTPHSOIZIFT-HKUYNNGSSA-N 0 3 341.407 3.164 20 10 EGCDHN COc1ccc([C@@H]2CCC[N@H+]2Cc2cc3c(cc2[O-])OC[C@@H]3O)cc1 ZINC000768442003 1302903670 /nfs/dbraw/zinc/90/36/70/1302903670.db2.gz NFADTPHSOIZIFT-HKUYNNGSSA-N 0 3 341.407 3.164 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCSC3(CCCCC3)C1)[C@H](O)CO2 ZINC000768463383 1302910903 /nfs/dbraw/zinc/91/09/03/1302910903.db2.gz HVGWHSISYFVKNY-MRXNPFEDSA-N 0 3 335.469 3.070 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CCSC3(CCCCC3)C1)[C@H](O)CO2 ZINC000768463383 1302910913 /nfs/dbraw/zinc/91/09/13/1302910913.db2.gz HVGWHSISYFVKNY-MRXNPFEDSA-N 0 3 335.469 3.070 20 10 EGCDHN COCCN(Cc1ccc(N(C)C)cc1)Cc1ccc2c(c1)OCO2 ZINC000769400342 1303107140 /nfs/dbraw/zinc/10/71/40/1303107140.db2.gz RMJDIJFEGVYUPV-UHFFFAOYSA-N 0 3 342.439 3.130 20 10 EGCDHN CCOc1ccc(C[N@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)c([O-])c1 ZINC000769401358 1303107400 /nfs/dbraw/zinc/10/74/00/1303107400.db2.gz JLSNCLNRJGZOTI-CYBMUJFWSA-N 0 3 338.448 3.136 20 10 EGCDHN CCOc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)c([O-])c1 ZINC000769401358 1303107402 /nfs/dbraw/zinc/10/74/02/1303107402.db2.gz JLSNCLNRJGZOTI-CYBMUJFWSA-N 0 3 338.448 3.136 20 10 EGCDHN CCOC[C@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000769533562 1303135954 /nfs/dbraw/zinc/13/59/54/1303135954.db2.gz PQUMCSUWFIYDNL-KRWDZBQOSA-N 0 3 347.459 3.444 20 10 EGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000770752365 1303314445 /nfs/dbraw/zinc/31/44/45/1303314445.db2.gz NUEAIQOMGVSDLJ-TZIWHRDSSA-N 0 3 339.435 3.487 20 10 EGCDHN CC(C)N1C[C@H](N[C@@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1=O ZINC000773008685 1303605905 /nfs/dbraw/zinc/60/59/05/1303605905.db2.gz XLYKEMKXLYGQLU-DOTOQJQBSA-N 0 3 347.478 3.476 20 10 EGCDHN C[C@@H]([NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1)c1ccccc1[O-] ZINC000886811357 1303605882 /nfs/dbraw/zinc/60/58/82/1303605882.db2.gz QJYDVVKXWZOULM-RWTORFTKSA-N 0 3 346.377 3.293 20 10 EGCDHN CCN(C)c1ccc(CN2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000773758556 1303736264 /nfs/dbraw/zinc/73/62/64/1303736264.db2.gz VNKSSTRLOKKQMV-MRXNPFEDSA-N 0 3 333.476 3.242 20 10 EGCDHN CC[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000774843570 1303865327 /nfs/dbraw/zinc/86/53/27/1303865327.db2.gz SWAGQUIVNSKXLK-IBGZPJMESA-N 0 3 325.456 3.110 20 10 EGCDHN CCOc1ccc2c(c1)[C@@H](NCc1cc3c(cc1O)OCO3)CCO2 ZINC000775345970 1303944178 /nfs/dbraw/zinc/94/41/78/1303944178.db2.gz RVEDEPHMISBZSS-HNNXBMFYSA-N 0 3 343.379 3.133 20 10 EGCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N(C(C)C)C2CCCC2)c1 ZINC000775362770 1303947578 /nfs/dbraw/zinc/94/75/78/1303947578.db2.gz IRSZKWQOSVTSJH-CQSZACIVSA-N 0 3 334.460 3.231 20 10 EGCDHN CC[C@@H]([NH2+]CCCN1CCN(CC)CC1)c1cc(Cl)ccc1[O-] ZINC000775491709 1303972766 /nfs/dbraw/zinc/97/27/66/1303972766.db2.gz HRUGWUNHNVVDKY-QGZVFWFLSA-N 0 3 339.911 3.114 20 10 EGCDHN C[C@H](NC[C@@H]1CN(c2ccccc2)C(=O)O1)c1ccc(N(C)C)cc1 ZINC000775834358 1304046527 /nfs/dbraw/zinc/04/65/27/1304046527.db2.gz SIAIQCCJFNBUKH-HNAYVOBHSA-N 0 3 339.439 3.429 20 10 EGCDHN Cc1cc(Br)cc(CNCc2ccc(F)cn2)c1O ZINC000776251601 1304120632 /nfs/dbraw/zinc/12/06/32/1304120632.db2.gz NMHGAMKNCABFDG-UHFFFAOYSA-N 0 3 325.181 3.287 20 10 EGCDHN COc1cc(CN2CCC(O)(C(F)F)CC2)c(O)c(C(C)(C)C)c1 ZINC000777572890 1304321021 /nfs/dbraw/zinc/32/10/21/1304321021.db2.gz FGNANUBLXOWPHK-UHFFFAOYSA-N 0 3 343.414 3.290 20 10 EGCDHN COc1cc(Cl)cc(CN2CCC[C@@H](OCC3CC3)C2)c1O ZINC000779188154 1304539844 /nfs/dbraw/zinc/53/98/44/1304539844.db2.gz GKXFRPUTEWQTKE-OAHLLOKOSA-N 0 3 325.836 3.445 20 10 EGCDHN CCOc1ccc(CN(C)CCN(C)C(=O)OC(C)(C)C)c(O)c1 ZINC000779596506 1304585506 /nfs/dbraw/zinc/58/55/06/1304585506.db2.gz GUVHLEMIHJOTTN-UHFFFAOYSA-N 0 3 338.448 3.090 20 10 EGCDHN CCOc1ccc(C[N@H+](C)CCN(C)C(=O)OC(C)(C)C)c([O-])c1 ZINC000779596506 1304585510 /nfs/dbraw/zinc/58/55/10/1304585510.db2.gz GUVHLEMIHJOTTN-UHFFFAOYSA-N 0 3 338.448 3.090 20 10 EGCDHN CCOc1ccc(C[N@@H+](C)CCN(C)C(=O)OC(C)(C)C)c([O-])c1 ZINC000779596506 1304585518 /nfs/dbraw/zinc/58/55/18/1304585518.db2.gz GUVHLEMIHJOTTN-UHFFFAOYSA-N 0 3 338.448 3.090 20 10 EGCDHN CS[C@H](C)CCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248303 1304999143 /nfs/dbraw/zinc/99/91/43/1304999143.db2.gz KHZMNNNUYNKOQU-RHSMWYFYSA-N 0 3 337.533 3.003 20 10 EGCDHN C[C@H](CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccco1 ZINC000891248233 1304999682 /nfs/dbraw/zinc/99/96/82/1304999682.db2.gz XAEAXXSGYZKSMF-CRAIPNDOSA-N 0 3 343.471 3.258 20 10 EGCDHN Cc1cccc(C)c1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891253089 1305000041 /nfs/dbraw/zinc/00/00/41/1305000041.db2.gz QLMCKXGYVSKUKE-IBGZPJMESA-N 0 3 339.483 3.402 20 10 EGCDHN CCOc1ccc(C[NH2+][C@H]2CCCN(C3CCCCC3)C2=O)c([O-])c1 ZINC000785546869 1305376646 /nfs/dbraw/zinc/37/66/46/1305376646.db2.gz CJLGHCJSFWQOCE-SFHVURJKSA-N 0 3 346.471 3.204 20 10 EGCDHN CCOc1ccc(C[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)c([O-])c1 ZINC000785613434 1305395194 /nfs/dbraw/zinc/39/51/94/1305395194.db2.gz GKFWWXWUBANCIW-QGZVFWFLSA-N 0 3 339.794 3.407 20 10 EGCDHN COc1ccc(CN[C@@H]2CCOc3ccc(F)cc32)c(O)c1OC ZINC000892879933 1305590366 /nfs/dbraw/zinc/59/03/66/1305590366.db2.gz UKXGYVHYNBWEEX-CQSZACIVSA-N 0 3 333.359 3.162 20 10 EGCDHN CCOc1cccc(CN2CCC[C@@H](Oc3ncccc3F)C2)c1O ZINC000787292248 1305728474 /nfs/dbraw/zinc/72/84/74/1305728474.db2.gz ZDSBMLBTGMMUIY-OAHLLOKOSA-N 0 3 346.402 3.368 20 10 EGCDHN CCOC(=O)[C@](C)(C[NH2+]Cc1c([O-])cccc1OC)c1ccccc1 ZINC000787436795 1305744959 /nfs/dbraw/zinc/74/49/59/1305744959.db2.gz JIEWRZPQMCTOFJ-HXUWFJFHSA-N 0 3 343.423 3.011 20 10 EGCDHN CCCCn1cc(CNCc2ccc(OC)c(OC)c2O)c(C)n1 ZINC000893294835 1305809722 /nfs/dbraw/zinc/80/97/22/1305809722.db2.gz ZXMOGRMHGBGSSX-UHFFFAOYSA-N 0 3 333.432 3.004 20 10 EGCDHN COCc1ccc([C@H]2CCCN2Cc2ccc(OC)c(OC)c2O)o1 ZINC000893642931 1306002496 /nfs/dbraw/zinc/00/24/96/1306002496.db2.gz RBBVDUYTAOXKCQ-OAHLLOKOSA-N 0 3 347.411 3.486 20 10 EGCDHN CC(C)(CNCc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[NH+]1CCCC1 ZINC000791009877 1308908915 /nfs/dbraw/zinc/90/89/15/1308908915.db2.gz ADPVQLOJVUSKNV-UHFFFAOYSA-N 0 3 341.839 3.165 20 10 EGCDHN CC(C)(C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CN1CCCC1 ZINC000791009877 1308908922 /nfs/dbraw/zinc/90/89/22/1308908922.db2.gz ADPVQLOJVUSKNV-UHFFFAOYSA-N 0 3 341.839 3.165 20 10 EGCDHN COc1ccc(CN2CCC[C@@H]2c2c(C)n[nH]c2C)c(O)c1OC ZINC000894497819 1308922798 /nfs/dbraw/zinc/92/27/98/1308922798.db2.gz AUNVPQYJYFDAAY-CQSZACIVSA-N 0 3 331.416 3.086 20 10 EGCDHN CC[NH+](CC)CCO[C@@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792170713 1309136564 /nfs/dbraw/zinc/13/65/64/1309136564.db2.gz WFRYOGQJXLQGRM-CYBMUJFWSA-N 0 3 344.858 3.117 20 10 EGCDHN COC(=O)[C@]1(C)CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792830322 1309239689 /nfs/dbraw/zinc/23/96/89/1309239689.db2.gz COTTXRFJLLCCHV-MRXNPFEDSA-N 0 3 344.377 3.156 20 10 EGCDHN C[C@@H]1COCC[C@H]1[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000792979057 1309274824 /nfs/dbraw/zinc/27/48/24/1309274824.db2.gz FNSVZMSHEUJCAC-XOKHGSTOSA-N 0 3 338.879 3.025 20 10 EGCDHN CSc1ccccc1CN(C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000794653577 1309564830 /nfs/dbraw/zinc/56/48/30/1309564830.db2.gz BLHXODRWKHKFPZ-MRXNPFEDSA-N 0 3 331.437 3.172 20 10 EGCDHN CSc1ccccc1C[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000794653577 1309564834 /nfs/dbraw/zinc/56/48/34/1309564834.db2.gz BLHXODRWKHKFPZ-MRXNPFEDSA-N 0 3 331.437 3.172 20 10 EGCDHN CSc1ccccc1C[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000794653577 1309564840 /nfs/dbraw/zinc/56/48/40/1309564840.db2.gz BLHXODRWKHKFPZ-MRXNPFEDSA-N 0 3 331.437 3.172 20 10 EGCDHN CC[C@H]([NH2+]C1CCN(C[C@@H]2CCCO2)CC1)c1ccc(C)cc1[O-] ZINC000794811306 1309599975 /nfs/dbraw/zinc/59/99/75/1309599975.db2.gz WTRRIIFALZVDNS-HKUYNNGSSA-N 0 3 332.488 3.385 20 10 EGCDHN CN(C)c1ccc(CNCc2ccc(C[S@@](C)=O)cc2)cc1F ZINC000796527418 1310020525 /nfs/dbraw/zinc/02/05/25/1310020525.db2.gz YIJRADSUNMPQKT-HSZRJFAPSA-N 0 3 334.460 3.060 20 10 EGCDHN CC[C@H]([NH2+][C@H]1CCCN(C(=O)N2CCCC2)C1)c1ccc(C)cc1[O-] ZINC000797041261 1310131633 /nfs/dbraw/zinc/13/16/33/1310131633.db2.gz YLGAWFKNMDWABS-WMZOPIPTSA-N 0 3 345.487 3.422 20 10 EGCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H](CO)c1ccccc1C(F)(F)F ZINC000897331565 1310294943 /nfs/dbraw/zinc/29/49/43/1310294943.db2.gz URIJOWSHBJKHTK-AWEZNQCLSA-N 0 3 329.293 3.373 20 10 EGCDHN OC[C@H](NCc1cc(F)ccc1O)c1ccccc1C(F)(F)F ZINC000897331565 1310294947 /nfs/dbraw/zinc/29/49/47/1310294947.db2.gz URIJOWSHBJKHTK-AWEZNQCLSA-N 0 3 329.293 3.373 20 10 EGCDHN CN(C)c1ccc([C@H](CNCc2nc(Cl)cs2)N(C)C)cc1 ZINC000898449293 1310740201 /nfs/dbraw/zinc/74/02/01/1310740201.db2.gz AODBDWUOVHXISV-AWEZNQCLSA-N 0 3 338.908 3.255 20 10 EGCDHN CCn1ccnc1[C@H](C)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000825005292 1320303624 /nfs/dbraw/zinc/30/36/24/1320303624.db2.gz GJEDAGNMBSJVGZ-HNNXBMFYSA-N 0 3 328.460 3.231 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)c1[O-] ZINC000825090798 1320309221 /nfs/dbraw/zinc/30/92/21/1320309221.db2.gz IJUIQEBEXCHGNT-GDBMZVCRSA-N 0 3 348.830 3.459 20 10 EGCDHN C[C@H](N[C@H]1CCN(c2ccc(F)cc2)C1=O)c1ccc(N(C)C)cc1 ZINC000839564456 1320938286 /nfs/dbraw/zinc/93/82/86/1320938286.db2.gz UQYUIUNPHIQLFG-LIRRHRJNSA-N 0 3 341.430 3.348 20 10 EGCDHN COc1cc(N2CCN(Cc3cc(C)ccc3O)CC2)ccc1F ZINC000802659482 1317023063 /nfs/dbraw/zinc/02/30/63/1317023063.db2.gz HMGLWDXCGIIYRV-UHFFFAOYSA-N 0 3 330.403 3.171 20 10 EGCDHN CC[C@H]([NH2+][C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@@H]21)c1ccc(C)cc1[O-] ZINC000808722197 1317723579 /nfs/dbraw/zinc/72/35/79/1317723579.db2.gz AIFIGAWDZYEPBK-XGXHKWSGSA-N 0 3 330.472 3.388 20 10 EGCDHN Nc1ccc(Cc2noc(-c3ccc(CN4CCCCC4)o3)n2)cc1 ZINC000904504205 1317854799 /nfs/dbraw/zinc/85/47/99/1317854799.db2.gz NNUQLUKSSPJSAM-UHFFFAOYSA-N 0 3 338.411 3.489 20 10 EGCDHN CC(C)[C@H](CO)C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000809723487 1317878452 /nfs/dbraw/zinc/87/84/52/1317878452.db2.gz IOMHVGZLSXXCNK-SFHVURJKSA-N 0 3 329.440 3.325 20 10 EGCDHN CCOCc1cc(CNCc2ccc3cnn(C)c3c2)ccc1OC ZINC000812771877 1318451277 /nfs/dbraw/zinc/45/12/77/1318451277.db2.gz MDEQCGZNRODBKT-UHFFFAOYSA-N 0 3 339.439 3.408 20 10 EGCDHN CO[C@@H](CN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl)C1CC1 ZINC000815651341 1319038104 /nfs/dbraw/zinc/03/81/04/1319038104.db2.gz QGZRSVBGHXNVSL-UGSOOPFHSA-N 0 3 338.879 3.252 20 10 EGCDHN C[N@@H+]1CCC[C@]2(CCN(Cc3cccc(Br)c3[O-])C2)C1 ZINC000816642134 1319198138 /nfs/dbraw/zinc/19/81/38/1319198138.db2.gz QIFMBHICPFEYCC-INIZCTEOSA-N 0 3 339.277 3.072 20 10 EGCDHN C[N@H+]1CCC[C@]2(CCN(Cc3cccc(Br)c3[O-])C2)C1 ZINC000816642134 1319198151 /nfs/dbraw/zinc/19/81/51/1319198151.db2.gz QIFMBHICPFEYCC-INIZCTEOSA-N 0 3 339.277 3.072 20 10 EGCDHN CN1CCC[C@]2(CC[N@H+](Cc3cccc(Br)c3[O-])C2)C1 ZINC000816642134 1319198162 /nfs/dbraw/zinc/19/81/62/1319198162.db2.gz QIFMBHICPFEYCC-INIZCTEOSA-N 0 3 339.277 3.072 20 10 EGCDHN CN1CCC[C@]2(CC[N@@H+](Cc3cccc(Br)c3[O-])C2)C1 ZINC000816642134 1319198167 /nfs/dbraw/zinc/19/81/67/1319198167.db2.gz QIFMBHICPFEYCC-INIZCTEOSA-N 0 3 339.277 3.072 20 10 EGCDHN C[C@@H]([NH2+]C[C@H]1CCCCN1)c1cc(Br)c(F)cc1[O-] ZINC000817949840 1319473704 /nfs/dbraw/zinc/47/37/04/1319473704.db2.gz NZORIFPIRSFFLM-NXEZZACHSA-N 0 3 331.229 3.087 20 10 EGCDHN C[C@@H](NC[C@H]1CCCC[NH2+]1)c1cc(Br)c(F)cc1[O-] ZINC000817949840 1319473710 /nfs/dbraw/zinc/47/37/10/1319473710.db2.gz NZORIFPIRSFFLM-NXEZZACHSA-N 0 3 331.229 3.087 20 10 EGCDHN C[C@H]([NH2+][C@H]1CCN[C@H](C)C1)c1cc(Br)c(F)cc1[O-] ZINC000817972202 1319482296 /nfs/dbraw/zinc/48/22/96/1319482296.db2.gz VDHABPBGGRXHBW-UTLUCORTSA-N 0 3 331.229 3.085 20 10 EGCDHN COc1ccc(N2CC[C@H](CNCc3ccnc(Cl)c3F)C2)cc1 ZINC000822494234 1320088941 /nfs/dbraw/zinc/08/89/41/1320088941.db2.gz KHOLAYUECOSNBX-CYBMUJFWSA-N 0 3 349.837 3.499 20 10 EGCDHN Cc1ccc(O)c(CN2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]32)c1 ZINC000822508046 1320090508 /nfs/dbraw/zinc/09/05/08/1320090508.db2.gz NGZNZIFBQAFPAX-HOCLYGCPSA-N 0 3 332.444 3.142 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CCOC3(CCC3)C2)c1[O-] ZINC000824750212 1320282384 /nfs/dbraw/zinc/28/23/84/1320282384.db2.gz DSSJYFGZNIMSLY-LBPRGKRZSA-N 0 3 325.836 3.493 20 10 EGCDHN COC(=O)c1ccc(CNCc2ccc(N(C)C)cc2C)cc1F ZINC000825267529 1320322700 /nfs/dbraw/zinc/32/27/00/1320322700.db2.gz VHPYAKBCIIZCGW-UHFFFAOYSA-N 0 3 330.403 3.277 20 10 EGCDHN CCOc1cccc(CN(CCO)Cc2cccc(OCC)c2O)c1 ZINC000825299476 1320326147 /nfs/dbraw/zinc/32/61/47/1320326147.db2.gz LDQMBQSQPPMWHI-UHFFFAOYSA-N 0 3 345.439 3.184 20 10 EGCDHN COc1cc(CN2CCCc3c(cnn3C)C2)c(O)c(C(C)(C)C)c1 ZINC000840172649 1321043106 /nfs/dbraw/zinc/04/31/06/1321043106.db2.gz CYBZEGCMXWNLOK-UHFFFAOYSA-N 0 3 343.471 3.380 20 10 EGCDHN O=C(NCc1ccc(O)c(O)c1)c1cccc(CN2CCCCC2)c1 ZINC000840403737 1321086869 /nfs/dbraw/zinc/08/68/69/1321086869.db2.gz WNPWLXMUYJPJGC-UHFFFAOYSA-N 0 3 340.423 3.014 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+][C@H](COC(N)=O)Cc2ccccc2)c([O-])c1 ZINC000840866799 1321165218 /nfs/dbraw/zinc/16/52/18/1321165218.db2.gz ZUINJOOQZWFDKT-ZBFHGGJFSA-N 0 3 328.412 3.472 20 10 EGCDHN CCS(=O)(=O)c1cc(Cl)cc(CNCc2ccccc2O)c1 ZINC000840955937 1321185811 /nfs/dbraw/zinc/18/58/11/1321185811.db2.gz BMEXVOQYBKUGJS-UHFFFAOYSA-N 0 3 339.844 3.129 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]CC[C@H]2COc3ccccc3O2)c1[O-] ZINC000841888042 1321326568 /nfs/dbraw/zinc/32/65/68/1321326568.db2.gz CUHZZAQWTBGSPE-AWEZNQCLSA-N 0 3 349.814 3.374 20 10 EGCDHN CCCNC(=O)CCC[N@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000846824025 1321812791 /nfs/dbraw/zinc/81/27/91/1321812791.db2.gz GFHYAYUOPIPEJO-UHFFFAOYSA-N 0 3 330.428 3.294 20 10 EGCDHN CCCNC(=O)CCC[N@@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000846824025 1321812798 /nfs/dbraw/zinc/81/27/98/1321812798.db2.gz GFHYAYUOPIPEJO-UHFFFAOYSA-N 0 3 330.428 3.294 20 10 EGCDHN CCOc1cccc(CNCc2cccnc2N2CCCC2)c1O ZINC000850352607 1322232511 /nfs/dbraw/zinc/23/25/11/1322232511.db2.gz CDTAVBUKBRYZJT-UHFFFAOYSA-N 0 3 327.428 3.076 20 10 EGCDHN CCOc1ccc(C[NH2+][C@H](C)CN(C)C(=O)OC(C)(C)C)c([O-])c1 ZINC000850417354 1322243199 /nfs/dbraw/zinc/24/31/99/1322243199.db2.gz TYGJHMZRUGQLRY-CYBMUJFWSA-N 0 3 338.448 3.136 20 10 EGCDHN C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cc(F)ccc1[O-] ZINC000850568349 1322270136 /nfs/dbraw/zinc/27/01/36/1322270136.db2.gz VWZIJINCLPTNMI-AWEZNQCLSA-N 0 3 344.430 3.343 20 10 EGCDHN COc1ccc([C@H](CN(C)C)NCc2ccc3c(c2)CCCO3)cc1 ZINC000922113410 1322458398 /nfs/dbraw/zinc/45/83/98/1322458398.db2.gz LXQSEHXPBKMYLK-FQEVSTJZSA-N 0 3 340.467 3.413 20 10 EGCDHN CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1[O-])C2 ZINC000857069956 1325567932 /nfs/dbraw/zinc/56/79/32/1325567932.db2.gz XTTFFRPMGOIFLI-DNVCBOLYSA-N 0 3 332.444 3.271 20 10 EGCDHN CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1[O-])C2 ZINC000857069956 1325567936 /nfs/dbraw/zinc/56/79/36/1325567936.db2.gz XTTFFRPMGOIFLI-DNVCBOLYSA-N 0 3 332.444 3.271 20 10 EGCDHN CCOc1ccc(C[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)c([O-])c1 ZINC000865731743 1329733735 /nfs/dbraw/zinc/73/37/35/1329733735.db2.gz YDMWTBPKWYZADY-NSHDSACASA-N 0 3 328.368 3.489 20 10 EGCDHN Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)c([O-])c1O ZINC001323605315 1387403737 /nfs/dbraw/zinc/40/37/37/1387403737.db2.gz JRUCCGDVVUFYPP-UHFFFAOYSA-N 0 3 326.396 3.254 20 10 EGCDHN O=C(Nc1cccc(F)c1)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001202234750 1369720325 /nfs/dbraw/zinc/72/03/25/1369720325.db2.gz NGCPNVNWAXSRFO-UHFFFAOYSA-N 0 3 343.402 3.317 20 10 EGCDHN CC(C)(C)OC(=O)N1CC2(C1)CCCCN2Cc1ccccc1O ZINC001203550063 1370166140 /nfs/dbraw/zinc/16/61/40/1370166140.db2.gz GPXDHJQJASTTOP-UHFFFAOYSA-N 0 3 332.444 3.368 20 10 EGCDHN CC(C)[C@@H]1CN(Cc2ccccc2O)CCN1C(=O)OC(C)(C)C ZINC001203551737 1370167020 /nfs/dbraw/zinc/16/70/20/1370167020.db2.gz MDZAULHNTIBRRJ-INIZCTEOSA-N 0 3 334.460 3.470 20 10 EGCDHN CCOc1cccc(CN2CCN3CCc4ccccc4[C@H]3C2)c1O ZINC001203614310 1370188176 /nfs/dbraw/zinc/18/81/76/1370188176.db2.gz VYRHGZBCJLMXEW-LJQANCHMSA-N 0 3 338.451 3.206 20 10 EGCDHN [O-]c1ccc(Cl)cc1C[NH+]1C[C@H]2CN(Cc3ccccn3)C[C@@H]2C1 ZINC001203655895 1370203506 /nfs/dbraw/zinc/20/35/06/1370203506.db2.gz DPPJDYVKBYOCIM-HOTGVXAUSA-N 0 3 343.858 3.004 20 10 EGCDHN Oc1ccc(CN2C[C@H]3CCC[C@@]3(COc3cccnc3)C2)cc1O ZINC001203877323 1370297295 /nfs/dbraw/zinc/29/72/95/1370297295.db2.gz QDKXGPJRPVUYOH-UZLBHIALSA-N 0 3 340.423 3.174 20 10 EGCDHN CCN(CC)c1ccc(CN2CC[C@@H](Oc3nccnc3C)C2)cc1 ZINC001203946596 1370325248 /nfs/dbraw/zinc/32/52/48/1370325248.db2.gz XAMVILVWUKZSDC-LJQANCHMSA-N 0 3 340.471 3.285 20 10 EGCDHN COc1ccc(C(=O)C2CCN(Cc3ccc(O)cc3O)CC2)cc1 ZINC001204279219 1370429556 /nfs/dbraw/zinc/42/95/56/1370429556.db2.gz SWFXWTYNXOXGMV-UHFFFAOYSA-N 0 3 341.407 3.201 20 10 EGCDHN CC(C)(C)OC(=O)N1CC[C@@H]([N@H+](Cc2ccc(O)cc2[O-])C2CC2)C1 ZINC001204277603 1370429966 /nfs/dbraw/zinc/42/99/66/1370429966.db2.gz GLGNICHNXZAKJI-OAHLLOKOSA-N 0 3 348.443 3.072 20 10 EGCDHN CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+](Cc2ccc(O)cc2[O-])C2CC2)C1 ZINC001204277603 1370429970 /nfs/dbraw/zinc/42/99/70/1370429970.db2.gz GLGNICHNXZAKJI-OAHLLOKOSA-N 0 3 348.443 3.072 20 10 EGCDHN O=C(OCc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204282750 1370431633 /nfs/dbraw/zinc/43/16/33/1370431633.db2.gz VIUUKQSYAKDAQG-KRWDZBQOSA-N 0 3 341.407 3.053 20 10 EGCDHN O=C(OCc1ccccc1)[C@H]1CCC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204282750 1370431638 /nfs/dbraw/zinc/43/16/38/1370431638.db2.gz VIUUKQSYAKDAQG-KRWDZBQOSA-N 0 3 341.407 3.053 20 10 EGCDHN OC[C@@H]1[C@H](C(F)(F)F)CCCN1Cc1ccc(N2CCCC2)cc1 ZINC001204324497 1370444780 /nfs/dbraw/zinc/44/47/80/1370444780.db2.gz LWUAHRZZPQBMFN-IAGOWNOFSA-N 0 3 342.405 3.422 20 10 EGCDHN COc1cc(CN2CCC(Oc3ccc(F)cc3)CC2)c(O)cc1O ZINC001231634878 1376287112 /nfs/dbraw/zinc/28/71/12/1376287112.db2.gz CHWDSLCLHIWUGB-UHFFFAOYSA-N 0 3 347.386 3.289 20 10 EGCDHN CN(Cc1ccc(N2CCOCC2)c(Cl)c1)C[C@H]1CCCCO1 ZINC001232203530 1376416896 /nfs/dbraw/zinc/41/68/96/1376416896.db2.gz XSDLMMWKULVUHC-MRXNPFEDSA-N 0 3 338.879 3.178 20 10 EGCDHN CNc1ccccc1CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC001232672083 1376498608 /nfs/dbraw/zinc/49/86/08/1376498608.db2.gz XJTADTBTYHKARR-UHFFFAOYSA-N 0 3 325.456 3.197 20 10 EGCDHN [O-]c1ccc2cc(Br)ccc2c1C[N@H+]1CCC[C@@H]1CO ZINC001233194075 1376583418 /nfs/dbraw/zinc/58/34/18/1376583418.db2.gz LFEOFVADWMESMN-CYBMUJFWSA-N 0 3 336.229 3.265 20 10 EGCDHN [O-]c1ccc2cc(Br)ccc2c1C[N@@H+]1CCC[C@@H]1CO ZINC001233194075 1376583421 /nfs/dbraw/zinc/58/34/21/1376583421.db2.gz LFEOFVADWMESMN-CYBMUJFWSA-N 0 3 336.229 3.265 20 10 EGCDHN CN(Cc1ccc(N2CCCC2)cc1)Cc1cc(O)c(O)cc1O ZINC001233485495 1376652786 /nfs/dbraw/zinc/65/27/86/1376652786.db2.gz XYCIJUCMNCLKQK-UHFFFAOYSA-N 0 3 328.412 3.036 20 10 EGCDHN [O-]c1c(C[NH+]2CCC3(C[C@@H]3CCO)CC2)cccc1OC(F)(F)F ZINC001233737109 1376706246 /nfs/dbraw/zinc/70/62/46/1376706246.db2.gz WCSHLONPYVGGGA-ZDUSSCGKSA-N 0 3 345.361 3.275 20 10 EGCDHN C[N@H+](Cc1cc(C(F)(F)F)ccc1[O-])[C@H]1CCC2(C1)OCCO2 ZINC001237141796 1376976457 /nfs/dbraw/zinc/97/64/57/1376976457.db2.gz CJNNRRVAZWUPCG-ZDUSSCGKSA-N 0 3 331.334 3.138 20 10 EGCDHN C[N@@H+](Cc1cc(C(F)(F)F)ccc1[O-])[C@H]1CCC2(C1)OCCO2 ZINC001237141796 1376976459 /nfs/dbraw/zinc/97/64/59/1376976459.db2.gz CJNNRRVAZWUPCG-ZDUSSCGKSA-N 0 3 331.334 3.138 20 10 EGCDHN [O-]c1c(F)cccc1CN1C[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001138127423 1377681926 /nfs/dbraw/zinc/68/19/26/1377681926.db2.gz AQVSDFAKPZTXEK-VQIMIIECSA-N 0 3 326.415 3.238 20 10 EGCDHN [O-]c1c(F)cccc1CN1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001138127423 1377681927 /nfs/dbraw/zinc/68/19/27/1377681927.db2.gz AQVSDFAKPZTXEK-VQIMIIECSA-N 0 3 326.415 3.238 20 10 EGCDHN c1cc(N2CCOCC2)ccc1CN1CCOC[C@H]1C1CCCCC1 ZINC001138500051 1377733459 /nfs/dbraw/zinc/73/34/59/1377733459.db2.gz SETNXTACCZMTAY-NRFANRHFSA-N 0 3 344.499 3.304 20 10 EGCDHN CC[N@H+]([C@@H]1CCOC1)C1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC001140341200 1378049088 /nfs/dbraw/zinc/04/90/88/1378049088.db2.gz CFNYMRFIAWCEKW-OAHLLOKOSA-N 0 3 338.879 3.121 20 10 EGCDHN CC[N@@H+]([C@@H]1CCOC1)C1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC001140341200 1378049091 /nfs/dbraw/zinc/04/90/91/1378049091.db2.gz CFNYMRFIAWCEKW-OAHLLOKOSA-N 0 3 338.879 3.121 20 10 EGCDHN CC[C@@H](C)N1CC[C@]2(CCC[N@H+](Cc3ccccc3[O-])CC2)C1=O ZINC001272618311 1378076738 /nfs/dbraw/zinc/07/67/38/1378076738.db2.gz FMADWRYQNBUREV-OXQOHEQNSA-N 0 3 330.472 3.395 20 10 EGCDHN CC[C@@H](C)N1CC[C@]2(CCC[N@@H+](Cc3ccccc3[O-])CC2)C1=O ZINC001272618311 1378076740 /nfs/dbraw/zinc/07/67/40/1378076740.db2.gz FMADWRYQNBUREV-OXQOHEQNSA-N 0 3 330.472 3.395 20 10 EGCDHN Cc1ccc(CN2CCN(Cc3ccc(O)c(C)c3O)CC2)cc1 ZINC001140745400 1378128340 /nfs/dbraw/zinc/12/83/40/1378128340.db2.gz IVZSMKBEVGTLTR-UHFFFAOYSA-N 0 3 326.440 3.032 20 10 EGCDHN COc1ccc(CC[N@@H+](Cc2ccc(C)cc2[O-])C[C@H](C)O)cc1 ZINC001140948324 1378188469 /nfs/dbraw/zinc/18/84/69/1378188469.db2.gz DVQWXPKXCYCKHD-INIZCTEOSA-N 0 3 329.440 3.135 20 10 EGCDHN COc1ccc(CC[N@H+](Cc2ccc(C)cc2[O-])C[C@H](C)O)cc1 ZINC001140948324 1378188474 /nfs/dbraw/zinc/18/84/74/1378188474.db2.gz DVQWXPKXCYCKHD-INIZCTEOSA-N 0 3 329.440 3.135 20 10 EGCDHN Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(COCC3CCCC3)C2)c([O-])c1 ZINC001140950437 1378190022 /nfs/dbraw/zinc/19/00/22/1378190022.db2.gz TYEWYDMYRVKLGX-TZIWHRDSSA-N 0 3 345.483 3.356 20 10 EGCDHN Cc1ccc(C[N@H+]2C[C@@H]3COC[C@]3(COCC3CCCC3)C2)c([O-])c1 ZINC001140950437 1378190027 /nfs/dbraw/zinc/19/00/27/1378190027.db2.gz TYEWYDMYRVKLGX-TZIWHRDSSA-N 0 3 345.483 3.356 20 10 EGCDHN COc1cc([O-])c(C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)c(OC)c1 ZINC001141028228 1378212729 /nfs/dbraw/zinc/21/27/29/1378212729.db2.gz GQZLEPRJLGEMPH-HNNXBMFYSA-N 0 3 347.386 3.202 20 10 EGCDHN COc1cc([O-])c(C[N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)c(OC)c1 ZINC001141028228 1378212731 /nfs/dbraw/zinc/21/27/31/1378212731.db2.gz GQZLEPRJLGEMPH-HNNXBMFYSA-N 0 3 347.386 3.202 20 10 EGCDHN COc1ccc(N2CCN(Cc3cccc(-n4ccnc4)c3)CC2)cc1 ZINC001141237736 1378280402 /nfs/dbraw/zinc/28/04/02/1378280402.db2.gz XFRUETIUBVVXCF-UHFFFAOYSA-N 0 3 348.450 3.203 20 10 EGCDHN C[NH+](C)CC1CCN(Cc2cc(Br)c(F)cc2[O-])CC1 ZINC001144299785 1378713450 /nfs/dbraw/zinc/71/34/50/1378713450.db2.gz IGIZVFRJDZIJQD-UHFFFAOYSA-N 0 3 345.256 3.067 20 10 EGCDHN CC(C)CNC(=O)CN[C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC001319859399 1386339229 /nfs/dbraw/zinc/33/92/29/1386339229.db2.gz UIZOLAUDVZHRCA-QGZVFWFLSA-N 0 3 331.504 3.490 20 10 EGCDHN CN1CCN(c2ccc(CN3CCC[C@@H]3c3ccc[nH]3)cc2F)CC1 ZINC001319925144 1386394913 /nfs/dbraw/zinc/39/49/13/1386394913.db2.gz CILDZLMQKBWUAM-HXUWFJFHSA-N 0 3 342.462 3.243 20 10 EGCDHN CCOc1ccc(N2CCN(CCCCn3ccnc3C)CC2)cc1 ZINC001320449522 1386612001 /nfs/dbraw/zinc/61/20/01/1386612001.db2.gz ZERSKNZXYBQGKS-UHFFFAOYSA-N 0 3 342.487 3.193 20 10 EGCDHN COc1cc(CNCc2ccc(N3CCC(O)CC3)cc2)ccc1F ZINC001330298587 1389381608 /nfs/dbraw/zinc/38/16/08/1389381608.db2.gz DQXYAFWRUGFPQP-UHFFFAOYSA-N 0 3 344.430 3.085 20 10 EGCDHN COc1ccc(CN(CCO)Cc2ccc(N3CCCC3)cc2)cc1 ZINC001332673106 1390147315 /nfs/dbraw/zinc/14/73/15/1390147315.db2.gz FMDDEPWPOGEMMX-UHFFFAOYSA-N 0 3 340.467 3.290 20 10 EGCDHN COc1ccc(CNC/C=C\CNC(=O)C2CC(C)(C)C2)cc1C ZINC001754117629 1440542539 /nfs/dbraw/zinc/54/25/39/1440542539.db2.gz LYHAUBAZJNIHJH-WAYWQWQTSA-N 0 3 330.472 3.202 20 10 EGCDHN Cc1cccc(CN[C@H]2CCN(c3ccc(Cl)cc3F)C2=O)c1O ZINC000529664012 313380515 /nfs/dbraw/zinc/38/05/15/313380515.db2.gz AXJMZDQOQMWIHY-HNNXBMFYSA-N 0 3 348.805 3.388 20 10 EGCDHN Cc1nccn1CCC[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000290589063 456375435 /nfs/dbraw/zinc/37/54/35/456375435.db2.gz VDNNTGJIKJVSBJ-UHFFFAOYSA-N 0 3 338.249 3.182 20 10 EGCDHN Cc1nccn1CCC[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000290589063 456375447 /nfs/dbraw/zinc/37/54/47/456375447.db2.gz VDNNTGJIKJVSBJ-UHFFFAOYSA-N 0 3 338.249 3.182 20 10 EGCDHN COc1ccc(N2CCN(Cc3cc(C)c(C)cc3O)CC2)cc1 ZINC000005939806 452912970 /nfs/dbraw/zinc/91/29/70/452912970.db2.gz RGFJXFFOGJOEMG-UHFFFAOYSA-N 0 3 326.440 3.340 20 10 EGCDHN CCN1CCN(c2cccc(NC(=O)c3ccccc3F)c2)CC1 ZINC000184273672 455368169 /nfs/dbraw/zinc/36/81/69/455368169.db2.gz DPGYNMPITAAEFQ-UHFFFAOYSA-N 0 3 327.403 3.220 20 10 EGCDHN CCS(=O)(=O)C[C@@H](C)N[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000089636316 454170529 /nfs/dbraw/zinc/17/05/29/454170529.db2.gz PBINBYSMVIWKIE-HZPDHXFCSA-N 0 3 338.517 3.151 20 10 EGCDHN CCCN1CCC([N@H+](C)Cc2cc(Cl)cc(OC)c2[O-])CC1 ZINC000184682589 455426922 /nfs/dbraw/zinc/42/69/22/455426922.db2.gz XUVUNCWHWCDBNT-UHFFFAOYSA-N 0 3 326.868 3.360 20 10 EGCDHN CCCN1CCC([N@@H+](C)Cc2cc(Cl)cc(OC)c2[O-])CC1 ZINC000184682589 455426927 /nfs/dbraw/zinc/42/69/27/455426927.db2.gz XUVUNCWHWCDBNT-UHFFFAOYSA-N 0 3 326.868 3.360 20 10 EGCDHN [O-]c1cc2c(cc1C[NH2+]C[C@@H](c1ccccc1)N1CCCC1)OCO2 ZINC000063255911 454398990 /nfs/dbraw/zinc/39/89/90/454398990.db2.gz WVOMEPDPDWQDBE-KRWDZBQOSA-N 0 3 340.423 3.048 20 10 EGCDHN CCOc1cccc(CN(C)Cc2ccc(C(=O)OC)cc2)c1O ZINC000091829570 454477812 /nfs/dbraw/zinc/47/78/12/454477812.db2.gz XTJJMMJTOLSLCZ-UHFFFAOYSA-N 0 3 329.396 3.210 20 10 EGCDHN CCN1CCN(c2ccc(CN[C@@H](C)c3cccnc3)cc2F)CC1 ZINC000092747356 454625434 /nfs/dbraw/zinc/62/54/34/454625434.db2.gz SWZCZNXJYRSSNK-INIZCTEOSA-N 0 3 342.462 3.213 20 10 EGCDHN COCC[C@H](C)[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000167909122 454924645 /nfs/dbraw/zinc/92/46/45/454924645.db2.gz ROADZGUBEOZEPU-XJKSGUPXSA-N 0 3 326.868 3.025 20 10 EGCDHN COc1ccc(O)c([C@@H](C)N[C@H]2CCN(c3ccc(C)cc3)C2=O)c1 ZINC000182323862 455489097 /nfs/dbraw/zinc/48/90/97/455489097.db2.gz AAUWARXJKQWTGW-KDOFPFPSSA-N 0 3 340.423 3.165 20 10 EGCDHN C[C@@H](NC[C@H](O)CC(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000178436682 454955118 /nfs/dbraw/zinc/95/51/18/454955118.db2.gz QIYZEOGTJMFDFV-GDBMZVCRSA-N 0 3 338.467 3.110 20 10 EGCDHN COc1ccc([O-])c(C[N@H+](C)C2CCN(Cc3ccccc3)CC2)c1 ZINC000180064465 455126353 /nfs/dbraw/zinc/12/63/53/455126353.db2.gz LUVUWIVAXAGOJK-UHFFFAOYSA-N 0 3 340.467 3.497 20 10 EGCDHN COc1ccc([O-])c(C[N@@H+](C)C2CCN(Cc3ccccc3)CC2)c1 ZINC000180064465 455126356 /nfs/dbraw/zinc/12/63/56/455126356.db2.gz LUVUWIVAXAGOJK-UHFFFAOYSA-N 0 3 340.467 3.497 20 10 EGCDHN CN(C[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1)C(=O)OC(C)(C)C ZINC000180075571 455127920 /nfs/dbraw/zinc/12/79/20/455127920.db2.gz CFBVOKGGQKVMIK-CYBMUJFWSA-N 0 3 338.423 3.220 20 10 EGCDHN CN(C[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1)C(=O)OC(C)(C)C ZINC000180075571 455127925 /nfs/dbraw/zinc/12/79/25/455127925.db2.gz CFBVOKGGQKVMIK-CYBMUJFWSA-N 0 3 338.423 3.220 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCC[C@@H]2CCO)c1[O-] ZINC000190306335 455296483 /nfs/dbraw/zinc/29/64/83/455296483.db2.gz KPPFSEILTOTLGE-BXUZGUMPSA-N 0 3 328.250 3.104 20 10 EGCDHN CCN(C[C@@H]1CC[N@H+](Cc2cccc(C)c2[O-])C1)CC(F)(F)F ZINC000180551201 455195330 /nfs/dbraw/zinc/19/53/30/455195330.db2.gz YRCACXWATZNJES-AWEZNQCLSA-N 0 3 330.394 3.407 20 10 EGCDHN CCN(C[C@@H]1CC[N@@H+](Cc2cccc(C)c2[O-])C1)CC(F)(F)F ZINC000180551201 455195335 /nfs/dbraw/zinc/19/53/35/455195335.db2.gz YRCACXWATZNJES-AWEZNQCLSA-N 0 3 330.394 3.407 20 10 EGCDHN Cc1ccc(C[NH2+]Cc2ccccc2[O-])c(-n2cc(Cl)cn2)n1 ZINC000190304561 455296415 /nfs/dbraw/zinc/29/64/15/455296415.db2.gz QUPVMIRPBRVTJE-UHFFFAOYSA-N 0 3 328.803 3.225 20 10 EGCDHN CCOC(=O)COc1ccc(CC[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000183613612 455312506 /nfs/dbraw/zinc/31/25/06/455312506.db2.gz OKZYOSONAUZJIM-OAHLLOKOSA-N 0 3 343.423 3.227 20 10 EGCDHN C[C@@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)c1cc(F)ccc1[O-] ZINC000184904426 455469398 /nfs/dbraw/zinc/46/93/98/455469398.db2.gz XWIGECJQWRWLRJ-DNVCBOLYSA-N 0 3 344.430 3.255 20 10 EGCDHN C[C@H](CC(=O)Nc1cccnc1Cl)NCc1ccc(N(C)C)cc1 ZINC000160528193 455469431 /nfs/dbraw/zinc/46/94/31/455469431.db2.gz JDAQMXKTEDMYST-CYBMUJFWSA-N 0 3 346.862 3.308 20 10 EGCDHN C[C@@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)c1ccc(F)cc1[O-] ZINC000185054961 455492822 /nfs/dbraw/zinc/49/28/22/455492822.db2.gz OJVDHAGPDDTMRF-CQSZACIVSA-N 0 3 332.419 3.323 20 10 EGCDHN CC[C@@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1ccccc1[O-] ZINC000185207454 455521636 /nfs/dbraw/zinc/52/16/36/455521636.db2.gz OHCNXCARWDQZJE-MRXNPFEDSA-N 0 3 328.412 3.331 20 10 EGCDHN CCS(=O)(=O)c1ccc([C@H](C)NCc2cc(C)ccc2O)cc1 ZINC000283916176 455612192 /nfs/dbraw/zinc/61/21/92/455612192.db2.gz INIXUMNBHKTITC-AWEZNQCLSA-N 0 3 333.453 3.345 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](c2ccco2)N2CCCC2)c1 ZINC000192916359 455716612 /nfs/dbraw/zinc/71/66/12/455716612.db2.gz UHZSKMUYDDXARC-WMLDXEAASA-N 0 3 330.428 3.482 20 10 EGCDHN CCN(CC)c1ccc(CN[C@@H](CC(N)=O)c2ccccc2)cc1 ZINC000293029834 455771093 /nfs/dbraw/zinc/77/10/93/455771093.db2.gz PREWBJCPGSDRDN-IBGZPJMESA-N 0 3 325.456 3.239 20 10 EGCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000186450637 455771743 /nfs/dbraw/zinc/77/17/43/455771743.db2.gz ZVDGRQJQEXMESB-FQEVSTJZSA-N 0 3 325.408 3.422 20 10 EGCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000186450637 455771744 /nfs/dbraw/zinc/77/17/44/455771744.db2.gz ZVDGRQJQEXMESB-FQEVSTJZSA-N 0 3 325.408 3.422 20 10 EGCDHN C[C@@H]([NH2+]Cc1cccc(N2CCOCC2)c1)c1cc(F)ccc1[O-] ZINC000293691801 455794454 /nfs/dbraw/zinc/79/44/54/455794454.db2.gz LEWRUSRSQZJOHQ-CQSZACIVSA-N 0 3 330.403 3.219 20 10 EGCDHN C[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2[O-])CCN1C(=O)OC(C)(C)C ZINC000278240607 455794976 /nfs/dbraw/zinc/79/49/76/455794976.db2.gz LKVWFZJEURIKEE-WFASDCNBSA-N 0 3 338.423 3.409 20 10 EGCDHN Cc1cc(C)c([C@H](C)NCCS(=O)(=O)Cc2ccccc2)c(O)c1 ZINC000293677680 455795058 /nfs/dbraw/zinc/79/50/58/455795058.db2.gz KEBFSLPLJOPQNB-INIZCTEOSA-N 0 3 347.480 3.275 20 10 EGCDHN COc1ccc(O)c(CN2CCC[C@@H](c3noc(C4CC4)n3)C2)c1 ZINC000271893201 455798627 /nfs/dbraw/zinc/79/86/27/455798627.db2.gz XPSLUTVDBXDZPH-CYBMUJFWSA-N 0 3 329.400 3.041 20 10 EGCDHN COC[C@]1(C)CC[N@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000294214039 455808906 /nfs/dbraw/zinc/80/89/06/455808906.db2.gz MVUQWOIWIFNGKS-OAHLLOKOSA-N 0 3 328.250 3.322 20 10 EGCDHN COC[C@]1(C)CC[N@@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000294214039 455808910 /nfs/dbraw/zinc/80/89/10/455808910.db2.gz MVUQWOIWIFNGKS-OAHLLOKOSA-N 0 3 328.250 3.322 20 10 EGCDHN C[C@H](C[S@](C)=O)[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000294444918 455815731 /nfs/dbraw/zinc/81/57/31/455815731.db2.gz VJLXWBDXTPCHGV-TWWFPWMWSA-N 0 3 331.481 3.423 20 10 EGCDHN CCOc1cccc(CNCc2ccnc(C(F)(F)F)c2)c1O ZINC000295132852 455840582 /nfs/dbraw/zinc/84/05/82/455840582.db2.gz YLBFWGGBJMGXPI-UHFFFAOYSA-N 0 3 326.318 3.495 20 10 EGCDHN CCNC(=O)C(C)(C)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000269491146 455848141 /nfs/dbraw/zinc/84/81/41/455848141.db2.gz IRXLWJACTRWATQ-UHFFFAOYSA-N 0 3 326.440 3.311 20 10 EGCDHN CO[C@@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000272112582 455850509 /nfs/dbraw/zinc/85/05/09/455850509.db2.gz XZCZJQLVJAQAAL-ADLMAVQZSA-N 0 3 333.359 3.126 20 10 EGCDHN CC[C@H]([NH2+]C[C@@H](O)c1cc(OC)cc(OC)c1)c1ccc(C)cc1[O-] ZINC000280091996 455889471 /nfs/dbraw/zinc/88/94/71/455889471.db2.gz MLSKQIPCXXURAF-AZUAARDMSA-N 0 3 345.439 3.492 20 10 EGCDHN CC[C@H]([NH2+]C[C@H](O)c1cc(OC)ccc1OC)c1ccc(C)cc1[O-] ZINC000280101391 455891931 /nfs/dbraw/zinc/89/19/31/455891931.db2.gz NBZWEGWVZSYJTL-HKUYNNGSSA-N 0 3 345.439 3.492 20 10 EGCDHN CC[C@@H]([NH2+]C[C@H](O)c1cc(OC)ccc1OC)c1ccc(C)cc1[O-] ZINC000280101402 455892387 /nfs/dbraw/zinc/89/23/87/455892387.db2.gz NBZWEGWVZSYJTL-MJGOQNOKSA-N 0 3 345.439 3.492 20 10 EGCDHN O=C(NCc1ccc(O)c(O)c1)c1ccc(CN2CCCCC2)cc1 ZINC000272365264 455926003 /nfs/dbraw/zinc/92/60/03/455926003.db2.gz STSBJQSFKGIXHW-UHFFFAOYSA-N 0 3 340.423 3.014 20 10 EGCDHN C[C@H]1C[C@@H](NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)[C@H](C)O1 ZINC000296451102 455942105 /nfs/dbraw/zinc/94/21/05/455942105.db2.gz OENPLBJHWBPQPL-PYOGLGTISA-N 0 3 336.451 3.095 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]CCCn2cc(Br)cn2)c([O-])c1 ZINC000287183584 456063533 /nfs/dbraw/zinc/06/35/33/456063533.db2.gz CTMNBRAYRONVLL-GFCCVEGCSA-N 0 3 338.249 3.401 20 10 EGCDHN C[C@@H](NCc1ccncc1OC[C@H]1CCOC1)c1ccccc1O ZINC000287518109 456071026 /nfs/dbraw/zinc/07/10/26/456071026.db2.gz ZOBIVNZYCABVDL-CABCVRRESA-N 0 3 328.412 3.053 20 10 EGCDHN CCN(C)c1ccc(CN2CCCN(c3nc(C)ns3)CC2)cc1 ZINC000225571960 456094960 /nfs/dbraw/zinc/09/49/60/456094960.db2.gz IIDNFWHCEWLXBW-UHFFFAOYSA-N 0 3 345.516 3.015 20 10 EGCDHN COc1cccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]2C)c1[O-] ZINC000288443692 456095583 /nfs/dbraw/zinc/09/55/83/456095583.db2.gz MFKIIMWBIIIEGA-CRAIPNDOSA-N 0 3 326.440 3.153 20 10 EGCDHN C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccncc1 ZINC000271064431 456116721 /nfs/dbraw/zinc/11/67/21/456116721.db2.gz IHSARWBRZCJVBX-MRXNPFEDSA-N 0 3 325.456 3.141 20 10 EGCDHN C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccncc1 ZINC000271094076 456123536 /nfs/dbraw/zinc/12/35/36/456123536.db2.gz XUBLGPYPNKAKGA-AWEZNQCLSA-N 0 3 329.419 3.033 20 10 EGCDHN COc1cccc(CN(CCN(C)C)Cc2ccc(F)cc2)c1O ZINC000289421999 456124834 /nfs/dbraw/zinc/12/48/34/456124834.db2.gz JGWSOQQACAGGMH-UHFFFAOYSA-N 0 3 332.419 3.104 20 10 EGCDHN COCCOCCN(Cc1ccccc1)Cc1cccc(OC)c1O ZINC000271164684 456148906 /nfs/dbraw/zinc/14/89/06/456148906.db2.gz AVKLSIHDZMSBSL-UHFFFAOYSA-N 0 3 345.439 3.066 20 10 EGCDHN CN(C)c1ccc(CNCc2cnn(Cc3ccc(F)cc3)c2)cc1 ZINC000189004790 456195367 /nfs/dbraw/zinc/19/53/67/456195367.db2.gz WIKMUYKEAPFEJX-UHFFFAOYSA-N 0 3 338.430 3.426 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]CCc2nnc3n2CCCCC3)c([O-])c1C ZINC000273411810 456229192 /nfs/dbraw/zinc/22/91/92/456229192.db2.gz PUPUVKLNDJJXCO-OAHLLOKOSA-N 0 3 328.460 3.220 20 10 EGCDHN COc1cccc(N2CC[C@@H]([NH2+][C@@H](C)c3cc(OC)ccc3[O-])C2)c1 ZINC000273612619 456240882 /nfs/dbraw/zinc/24/08/82/456240882.db2.gz WQHGXBNROQEIGC-LSDHHAIUSA-N 0 3 342.439 3.339 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+][C@H](C)[C@@H](O)c2cccc(F)c2)c1[O-] ZINC000273736243 456244007 /nfs/dbraw/zinc/24/40/07/456244007.db2.gz LDXHOBDOCMUEHS-QLJPJBMISA-N 0 3 339.794 3.405 20 10 EGCDHN CCNC(=O)COc1cccc(C[NH2+][C@H](CC)c2ccccc2[O-])c1 ZINC000274858678 456266235 /nfs/dbraw/zinc/26/62/35/456266235.db2.gz CKVPTMPNZQWJFD-GOSISDBHSA-N 0 3 342.439 3.148 20 10 EGCDHN Cc1cccc(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)c1[O-] ZINC000274915912 456266827 /nfs/dbraw/zinc/26/68/27/456266827.db2.gz LAAGJZVTNFEXCV-UHFFFAOYSA-N 0 3 326.444 3.008 20 10 EGCDHN CN(C)CCc1ccccc1NC(=O)N(C)Cc1ccccc1O ZINC000275611622 456277503 /nfs/dbraw/zinc/27/75/03/456277503.db2.gz IHURNASTSAOVEX-UHFFFAOYSA-N 0 3 327.428 3.160 20 10 EGCDHN Cc1c([C@H](C)NCc2ccc(N3CCOCC3)cc2)cnn1C(C)C ZINC000276395858 456467383 /nfs/dbraw/zinc/46/73/83/456467383.db2.gz RZWQTERCHWPMRO-INIZCTEOSA-N 0 3 342.487 3.460 20 10 EGCDHN Cc1ccc(O)c([C@@H](C)NCCS(=O)(=O)CCc2ccccc2)c1 ZINC000282731758 456606293 /nfs/dbraw/zinc/60/62/93/456606293.db2.gz MOYGAHFHZXWXAP-MRXNPFEDSA-N 0 3 347.480 3.009 20 10 EGCDHN CCOc1cccc(C[NH2+][C@@H]2CCN(c3ccccc3F)C2)c1[O-] ZINC000291644925 456707193 /nfs/dbraw/zinc/70/71/93/456707193.db2.gz CAUVUOLDDWWRBS-OAHLLOKOSA-N 0 3 330.403 3.299 20 10 EGCDHN CN(C)c1ccc(CN2CCC(O)(Cc3ccccc3F)CC2)cc1 ZINC000365821712 457778037 /nfs/dbraw/zinc/77/80/37/457778037.db2.gz QWUZGJNROPAGCG-UHFFFAOYSA-N 0 3 342.458 3.461 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC3(CCN(C)C3=O)CC2)cc1F ZINC000369655440 458304596 /nfs/dbraw/zinc/30/45/96/458304596.db2.gz OKRVQUOSHZXEOX-UHFFFAOYSA-N 0 3 347.478 3.116 20 10 EGCDHN COc1cc([O-])c(C[NH2+]C2CCC3(CCOCC3)CC2)cc1OC ZINC000373177423 458419230 /nfs/dbraw/zinc/41/92/30/458419230.db2.gz IZGPIUZSHMJPFS-UHFFFAOYSA-N 0 3 335.444 3.238 20 10 EGCDHN CCOc1ccc(C[NH2+]C[C@H](OC)c2cccc(OC)c2)c([O-])c1 ZINC000527734408 459718826 /nfs/dbraw/zinc/71/88/26/459718826.db2.gz GZKISFOFZCSWPP-IBGZPJMESA-N 0 3 331.412 3.277 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCn2c(C)nc3ccccc32)c1 ZINC000120652385 524764421 /nfs/dbraw/zinc/76/44/21/524764421.db2.gz TXOSBKFLUQBBSO-CYBMUJFWSA-N 0 3 325.412 3.410 20 10 EGCDHN CCCN(C)CC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000730282311 574965886 /nfs/dbraw/zinc/96/58/86/574965886.db2.gz DSIHBXFNISJWSF-UHFFFAOYSA-N 0 3 331.504 3.414 20 10 EGCDHN CC[C@@H](C)[C@](C)(O)CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000732821008 575289885 /nfs/dbraw/zinc/28/98/85/575289885.db2.gz SSTCBTQUMHJALY-DNVCBOLYSA-N 0 3 349.475 3.472 20 10 EGCDHN COC(=O)[C@H]1CC12CC[NH+](Cc1cc(C(C)(C)C)cc(O)c1[O-])CC2 ZINC000733791640 575390014 /nfs/dbraw/zinc/39/00/14/575390014.db2.gz ALVZXCXCMFEZDZ-OAHLLOKOSA-N 0 3 347.455 3.170 20 10 EGCDHN Cc1cc(N(C)C)ccc1CNC(=O)Nc1cccc(CN(C)C)c1 ZINC000734518276 575499049 /nfs/dbraw/zinc/49/90/49/575499049.db2.gz UMVJGHZIDBRCTN-UHFFFAOYSA-N 0 3 340.471 3.444 20 10 EGCDHN CCN(C)c1ccc(CN2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000741754886 576717443 /nfs/dbraw/zinc/71/74/43/576717443.db2.gz ZVSDJGZQQHHCKD-DBXWQHBBSA-N 0 3 345.531 3.216 20 10 EGCDHN CC[C@@]1(C)CCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000743860762 576817252 /nfs/dbraw/zinc/81/72/52/576817252.db2.gz TZZXPIXEBPLQLP-FQEVSTJZSA-N 0 3 331.504 3.223 20 10 EGCDHN COc1cc(Br)cc(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1[O-] ZINC000093661004 1292928524 /nfs/dbraw/zinc/92/85/24/1292928524.db2.gz YKDPTPYELMUYFU-TXEJJXNPSA-N 0 3 326.234 3.251 20 10 EGCDHN COc1cc(Br)cc(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1[O-] ZINC000093661004 1292928530 /nfs/dbraw/zinc/92/85/30/1292928530.db2.gz YKDPTPYELMUYFU-TXEJJXNPSA-N 0 3 326.234 3.251 20 10 EGCDHN [O-]c1cccc2c1[C@H]([NH2+]CC1(N3CCOCC3)CCCCC1)CC2 ZINC000834487821 1293104203 /nfs/dbraw/zinc/10/42/03/1293104203.db2.gz NGIQKUFRHXZMSB-QGZVFWFLSA-N 0 3 330.472 3.004 20 10 EGCDHN O=C1[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCN1c1ccc(Cl)cc1 ZINC000834662654 1293129456 /nfs/dbraw/zinc/12/94/56/1293129456.db2.gz BHGIIMGMYCOZAP-CVEARBPZSA-N 0 3 342.826 3.428 20 10 EGCDHN O=C1[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCN1c1ccc(Cl)cc1 ZINC000834662660 1293129826 /nfs/dbraw/zinc/12/98/26/1293129826.db2.gz BHGIIMGMYCOZAP-JKSUJKDBSA-N 0 3 342.826 3.428 20 10 EGCDHN C[C@@]1(C[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])CCC(=O)N1 ZINC000834910510 1293174007 /nfs/dbraw/zinc/17/40/07/1293174007.db2.gz XANRGNLJDUSSLM-NQIIRXRSSA-N 0 3 338.451 3.324 20 10 EGCDHN Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000834912606 1293175414 /nfs/dbraw/zinc/17/54/14/1293175414.db2.gz SQKMMZUWOUUDKE-GMXABZIVSA-N 0 3 343.402 3.400 20 10 EGCDHN O=C1[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C[C@@H]2CCCCN12 ZINC000835074657 1293200662 /nfs/dbraw/zinc/20/06/62/1293200662.db2.gz SMBCFUOVNWBYHG-OALUTQOASA-N 0 3 336.435 3.302 20 10 EGCDHN CCOc1ccc(O)c(CNC(C)(C)C(=O)NCC2CCCCC2)c1 ZINC000129493971 1293626384 /nfs/dbraw/zinc/62/63/84/1293626384.db2.gz IMMZRQREDKRZSJ-UHFFFAOYSA-N 0 3 348.487 3.356 20 10 EGCDHN CN(CCOc1ccccc1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000154739056 1294067906 /nfs/dbraw/zinc/06/79/06/1294067906.db2.gz YAZBKHJQPHHOPM-UHFFFAOYSA-N 0 3 344.430 3.173 20 10 EGCDHN Cc1ncc([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(C)n1 ZINC000155305369 1294092723 /nfs/dbraw/zinc/09/27/23/1294092723.db2.gz WLNZKNSYZKCEBP-GJZGRUSLSA-N 0 3 340.471 3.342 20 10 EGCDHN [O-]c1ccc(Br)cc1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000179641394 1294809768 /nfs/dbraw/zinc/80/97/68/1294809768.db2.gz FIPBRWOXFUNFBV-HNNXBMFYSA-N 0 3 339.277 3.215 20 10 EGCDHN CCOc1ccc(O)c(CN(C)C[C@@H]2COc3ccccc3O2)c1 ZINC000179635332 1294809920 /nfs/dbraw/zinc/80/99/20/1294809920.db2.gz VVQSACLRKUTYNM-MRXNPFEDSA-N 0 3 329.396 3.063 20 10 EGCDHN C[C@H]([NH2+]C[C@H](c1cccc(F)c1)N1CCOCC1)c1ccccc1[O-] ZINC000183453789 1295121071 /nfs/dbraw/zinc/12/10/71/1295121071.db2.gz AAEPAIUYQKOACG-HNAYVOBHSA-N 0 3 344.430 3.255 20 10 EGCDHN CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000189965013 1295555007 /nfs/dbraw/zinc/55/50/07/1295555007.db2.gz BJIIRWZTWPLQBN-RBUKOAKNSA-N 0 3 327.424 3.220 20 10 EGCDHN C[C@H]([NH2+]Cc1ccccc1[O-])C(=O)Nc1cccc(N2CCCC2)c1 ZINC000725852198 1298376299 /nfs/dbraw/zinc/37/62/99/1298376299.db2.gz USRNARDVTBZHTP-HNNXBMFYSA-N 0 3 339.439 3.109 20 10 EGCDHN Cc1ccc(CN2CCCN(C(=O)c3ccc(F)cc3)CC2)c(O)c1 ZINC000876568473 1298833978 /nfs/dbraw/zinc/83/39/78/1298833978.db2.gz ICGFZFLXUTZAFH-UHFFFAOYSA-N 0 3 342.414 3.188 20 10 EGCDHN Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c([O-])c1 ZINC000876736197 1298945891 /nfs/dbraw/zinc/94/58/91/1298945891.db2.gz TXVKHLXFGJRPRP-ZBFHGGJFSA-N 0 3 334.460 3.436 20 10 EGCDHN Cc1ccc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c([O-])c1 ZINC000876736197 1298945903 /nfs/dbraw/zinc/94/59/03/1298945903.db2.gz TXVKHLXFGJRPRP-ZBFHGGJFSA-N 0 3 334.460 3.436 20 10 EGCDHN Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c([O-])c1 ZINC000876736195 1298945941 /nfs/dbraw/zinc/94/59/41/1298945941.db2.gz TXVKHLXFGJRPRP-GOEBONIOSA-N 0 3 334.460 3.436 20 10 EGCDHN Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c([O-])c1 ZINC000876736195 1298945953 /nfs/dbraw/zinc/94/59/53/1298945953.db2.gz TXVKHLXFGJRPRP-GOEBONIOSA-N 0 3 334.460 3.436 20 10 EGCDHN CCN1CCN(c2ccc(CNCc3cc(C)ns3)cc2F)CC1 ZINC000877012251 1299113818 /nfs/dbraw/zinc/11/38/18/1299113818.db2.gz PZTYQDPVRSGEDV-UHFFFAOYSA-N 0 3 348.491 3.022 20 10 EGCDHN COc1cc(OC)c(CC[NH2+]Cc2c(C)cccc2[O-])c(OC)c1 ZINC000877027510 1299119783 /nfs/dbraw/zinc/11/97/83/1299119783.db2.gz PDDAKSGBOKZGMT-UHFFFAOYSA-N 0 3 331.412 3.059 20 10 EGCDHN CO[C@@](C)(C[NH2+]Cc1ccc(C)cc1[O-])COCc1ccccc1 ZINC000877623883 1299439605 /nfs/dbraw/zinc/43/96/05/1299439605.db2.gz CTBQRNMBHIZUCN-FQEVSTJZSA-N 0 3 329.440 3.412 20 10 EGCDHN CCN(CC)[C@H](CNC(=O)c1ccc(C)c(O)c1O)c1ccsc1 ZINC000751532953 1299564050 /nfs/dbraw/zinc/56/40/50/1299564050.db2.gz IFDVTJZMTXXXKB-OAHLLOKOSA-N 0 3 348.468 3.281 20 10 EGCDHN CC(C)CN1CCO[C@H](C[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)C1 ZINC000756355665 1300474341 /nfs/dbraw/zinc/47/43/41/1300474341.db2.gz QQKOHZUTQBEGMM-IIAWOOMASA-N 0 3 336.451 3.026 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]CCNC(=O)c2ccc(Cl)cc2)c([O-])c1 ZINC000756482303 1300503758 /nfs/dbraw/zinc/50/37/58/1300503758.db2.gz ZTKNKRNCZDPNTL-ZDUSSCGKSA-N 0 3 332.831 3.435 20 10 EGCDHN COc1cccc([C@H](O)C[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)c1 ZINC000756564271 1300523077 /nfs/dbraw/zinc/52/30/77/1300523077.db2.gz RSGRLCZZJCGILA-XNJJOIOASA-N 0 3 331.387 3.411 20 10 EGCDHN C[C@H]1C[C@H]([NH2+]CC(=O)N(C)C2CCCCC2)c2c1c(F)ccc2[O-] ZINC000756635829 1300537573 /nfs/dbraw/zinc/53/75/73/1300537573.db2.gz AWJINWYCKRYEGE-WFASDCNBSA-N 0 3 334.435 3.460 20 10 EGCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)NC[C@@H](C)c1ccccc1 ZINC000879648747 1300649451 /nfs/dbraw/zinc/64/94/51/1300649451.db2.gz CDHUZTYJTCEWIO-BZUAXINKSA-N 0 3 326.440 3.351 20 10 EGCDHN CSc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000879649018 1300650270 /nfs/dbraw/zinc/65/02/70/1300650270.db2.gz HPPUKEADRJXGMP-KGLIPLIRSA-N 0 3 333.453 3.205 20 10 EGCDHN COc1coc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)cc1=O ZINC000760844160 1301350728 /nfs/dbraw/zinc/35/07/28/1301350728.db2.gz JOCVVGGQSRVAAW-UHFFFAOYSA-N 0 3 329.396 3.299 20 10 EGCDHN COc1coc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cc1=O ZINC000760844160 1301350737 /nfs/dbraw/zinc/35/07/37/1301350737.db2.gz JOCVVGGQSRVAAW-UHFFFAOYSA-N 0 3 329.396 3.299 20 10 EGCDHN COc1coc(CN(Cc2ccccc2O)C2CCCC2)cc1=O ZINC000760844160 1301350747 /nfs/dbraw/zinc/35/07/47/1301350747.db2.gz JOCVVGGQSRVAAW-UHFFFAOYSA-N 0 3 329.396 3.299 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@@H](CO)CC(F)F ZINC000763522179 1301919828 /nfs/dbraw/zinc/91/98/28/1301919828.db2.gz RKIANTZRFMDTKR-OAHLLOKOSA-N 0 3 337.366 3.077 20 10 EGCDHN Cc1noc(CCCN(Cc2ccco2)Cc2ccccc2O)n1 ZINC000763544709 1301922221 /nfs/dbraw/zinc/92/22/21/1301922221.db2.gz SKPGFIXKKRHUAI-UHFFFAOYSA-N 0 3 327.384 3.312 20 10 EGCDHN Cc1noc(CCC[N@H+](Cc2ccco2)Cc2ccccc2[O-])n1 ZINC000763544709 1301922227 /nfs/dbraw/zinc/92/22/27/1301922227.db2.gz SKPGFIXKKRHUAI-UHFFFAOYSA-N 0 3 327.384 3.312 20 10 EGCDHN Cc1noc(CCC[N@@H+](Cc2ccco2)Cc2ccccc2[O-])n1 ZINC000763544709 1301922237 /nfs/dbraw/zinc/92/22/37/1301922237.db2.gz SKPGFIXKKRHUAI-UHFFFAOYSA-N 0 3 327.384 3.312 20 10 EGCDHN C[C@@H]([NH2+][C@@H](CCO)C1CCOCC1)c1cc2c(cc1[O-])CCCC2 ZINC000763559567 1301924149 /nfs/dbraw/zinc/92/41/49/1301924149.db2.gz UGAZMEUJPSLABE-KUHUBIRLSA-N 0 3 333.472 3.099 20 10 EGCDHN CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000765994651 1302364256 /nfs/dbraw/zinc/36/42/56/1302364256.db2.gz QLXLEOJTGQWLRD-WOSRLPQWSA-N 0 3 326.868 3.023 20 10 EGCDHN COCCN(Cc1cccs1)Cc1ccc(N2CCOCC2)cc1 ZINC000768198235 1302854683 /nfs/dbraw/zinc/85/46/83/1302854683.db2.gz OZNHTEYROYCMHD-UHFFFAOYSA-N 0 3 346.496 3.233 20 10 EGCDHN Cc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768445677 1302908306 /nfs/dbraw/zinc/90/83/06/1302908306.db2.gz GMNICPZNLCFYDB-PXNSSMCTSA-N 0 3 339.435 3.334 20 10 EGCDHN Cc1ccccc1C[C@@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768445677 1302908314 /nfs/dbraw/zinc/90/83/14/1302908314.db2.gz GMNICPZNLCFYDB-PXNSSMCTSA-N 0 3 339.435 3.334 20 10 EGCDHN CCCCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)C1(C)C ZINC000768464451 1302911870 /nfs/dbraw/zinc/91/18/70/1302911870.db2.gz RVIPWMDWDFWFQZ-BHIYHBOVSA-N 0 3 349.471 3.234 20 10 EGCDHN CCCCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)C1(C)C ZINC000768464451 1302911877 /nfs/dbraw/zinc/91/18/77/1302911877.db2.gz RVIPWMDWDFWFQZ-BHIYHBOVSA-N 0 3 349.471 3.234 20 10 EGCDHN Fc1cc(CN2CC[C@H]2Cc2ccccc2)ccc1N1CCOCC1 ZINC000769506240 1303130132 /nfs/dbraw/zinc/13/01/32/1303130132.db2.gz PIOWRHAQEYLWSJ-IBGZPJMESA-N 0 3 340.442 3.479 20 10 EGCDHN O=[N+]([O-])c1cc(CN2CC[C@@]3(CCOC3)C2)ccc1N1CCCCC1 ZINC000769531467 1303136525 /nfs/dbraw/zinc/13/65/25/1303136525.db2.gz GCLUQMCAAHLVDS-LJQANCHMSA-N 0 3 345.443 3.198 20 10 EGCDHN CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2c([O-])cccc2F)[C@@H](C)C1 ZINC000886528087 1303488213 /nfs/dbraw/zinc/48/82/13/1303488213.db2.gz GSLJGJCTBKMUOF-ZOBUZTSGSA-N 0 3 338.467 3.319 20 10 EGCDHN C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)NCc1ccc(F)cc1 ZINC000774482425 1303814787 /nfs/dbraw/zinc/81/47/87/1303814787.db2.gz KIJRHLHKGYQAIK-HUUCEWRRSA-N 0 3 343.446 3.247 20 10 EGCDHN C[C@@H]1CN(Cc2ccc(N(C)C)cc2)C[C@@H]1NC(=O)OC(C)(C)C ZINC000775161812 1303917930 /nfs/dbraw/zinc/91/79/30/1303917930.db2.gz ZOLMSGXXHKQPSM-PBHICJAKSA-N 0 3 333.476 3.098 20 10 EGCDHN COc1cc(CN[C@H](C)c2ccc(N(C)C)cc2)cc2c1OCO2 ZINC000775362614 1303946320 /nfs/dbraw/zinc/94/63/20/1303946320.db2.gz IXNJXLZKWZMOLL-CYBMUJFWSA-N 0 3 328.412 3.341 20 10 EGCDHN CCCCC[N@H+](CCO)Cc1cc(Br)cc(C)c1[O-] ZINC000775648005 1304003552 /nfs/dbraw/zinc/00/35/52/1304003552.db2.gz LYGWNSJMBLKLBZ-UHFFFAOYSA-N 0 3 330.266 3.448 20 10 EGCDHN CCCCC[N@@H+](CCO)Cc1cc(Br)cc(C)c1[O-] ZINC000775648005 1304003559 /nfs/dbraw/zinc/00/35/59/1304003559.db2.gz LYGWNSJMBLKLBZ-UHFFFAOYSA-N 0 3 330.266 3.448 20 10 EGCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c1[O-] ZINC000775700198 1304018561 /nfs/dbraw/zinc/01/85/61/1304018561.db2.gz DJMLGRHKCRQPCR-CQSZACIVSA-N 0 3 336.863 3.188 20 10 EGCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c1[O-] ZINC000775700198 1304018567 /nfs/dbraw/zinc/01/85/67/1304018567.db2.gz DJMLGRHKCRQPCR-CQSZACIVSA-N 0 3 336.863 3.188 20 10 EGCDHN CC(C)CN(CCN(C)C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000776237810 1304118523 /nfs/dbraw/zinc/11/85/23/1304118523.db2.gz ITKCUERKSLIGNC-INIZCTEOSA-N 0 3 334.508 3.043 20 10 EGCDHN CC(C)CN(CCN(C)C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000776237812 1304118896 /nfs/dbraw/zinc/11/88/96/1304118896.db2.gz ITKCUERKSLIGNC-MRXNPFEDSA-N 0 3 334.508 3.043 20 10 EGCDHN CCCCCn1cc(CNCc2cc(OC)c(OC)cc2O)c(C)n1 ZINC000776254418 1304122324 /nfs/dbraw/zinc/12/23/24/1304122324.db2.gz VGZDFFCQRPLRCP-UHFFFAOYSA-N 0 3 347.459 3.394 20 10 EGCDHN CN(C)c1nccc(CNCc2cc(-c3ccccc3)ccc2O)n1 ZINC000776496285 1304165609 /nfs/dbraw/zinc/16/56/09/1304165609.db2.gz IWNRJJZQIIQJQA-UHFFFAOYSA-N 0 3 334.423 3.205 20 10 EGCDHN COc1ccc(CN2CC=C(c3ccc(O)cc3)CC2)c(O)c1OC ZINC000891536798 1305083302 /nfs/dbraw/zinc/08/33/02/1305083302.db2.gz NUTZVDPADYDYBO-UHFFFAOYSA-N 0 3 341.407 3.404 20 10 EGCDHN Cc1cc(F)ncc1CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000892732416 1305527219 /nfs/dbraw/zinc/52/72/19/1305527219.db2.gz ZTMZROAYKYNESY-OAHLLOKOSA-N 0 3 329.419 3.217 20 10 EGCDHN C[NH+]1CCC2(CCCN2Cc2cccc(Br)c2[O-])CC1 ZINC000788436028 1305940724 /nfs/dbraw/zinc/94/07/24/1305940724.db2.gz RBELDOIKLKDVQW-UHFFFAOYSA-N 0 3 339.277 3.215 20 10 EGCDHN [O-]c1c(F)cccc1C[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000793247547 1309330885 /nfs/dbraw/zinc/33/08/85/1309330885.db2.gz QPETWVGGRPDCDQ-HDICACEKSA-N 0 3 326.415 3.095 20 10 EGCDHN [O-]c1c(F)cccc1C[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000793247547 1309330894 /nfs/dbraw/zinc/33/08/94/1309330894.db2.gz QPETWVGGRPDCDQ-HDICACEKSA-N 0 3 326.415 3.095 20 10 EGCDHN Cc1ccc(O)c(CNCc2ccc(C(F)(F)F)nc2N(C)C)c1 ZINC000895582715 1309414316 /nfs/dbraw/zinc/41/43/16/1309414316.db2.gz WRNSMTGRCJBVNV-UHFFFAOYSA-N 0 3 339.361 3.470 20 10 EGCDHN Cc1cc(CN2C[C@H](C)O[C@@]3(CCOC3)C2)c(O)c(C(C)(C)C)c1 ZINC000794702283 1309578577 /nfs/dbraw/zinc/57/85/77/1309578577.db2.gz JQMRPXOGLAMXQO-YWZLYKJASA-N 0 3 333.472 3.378 20 10 EGCDHN C[N@H+](CCCN1CCN(c2ccccc2)CC1)Cc1ccccc1[O-] ZINC000795955728 1309870585 /nfs/dbraw/zinc/87/05/85/1309870585.db2.gz JUPDIIUYHGAVKN-UHFFFAOYSA-N 0 3 339.483 3.036 20 10 EGCDHN C[N@@H+](CCCN1CCN(c2ccccc2)CC1)Cc1ccccc1[O-] ZINC000795955728 1309870588 /nfs/dbraw/zinc/87/05/88/1309870588.db2.gz JUPDIIUYHGAVKN-UHFFFAOYSA-N 0 3 339.483 3.036 20 10 EGCDHN COCCCOc1ccc(C[NH2+]Cc2c([O-])cccc2OC)cc1 ZINC000796448626 1310002741 /nfs/dbraw/zinc/00/27/41/1310002741.db2.gz LLMQAEBYBUFIHD-UHFFFAOYSA-N 0 3 331.412 3.106 20 10 EGCDHN COCCCOc1ccc(CNCc2c(O)cccc2OC)cc1 ZINC000796448626 1310002749 /nfs/dbraw/zinc/00/27/49/1310002749.db2.gz LLMQAEBYBUFIHD-UHFFFAOYSA-N 0 3 331.412 3.106 20 10 EGCDHN Cc1nn(C(C)C)cc1CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000798494548 1310371188 /nfs/dbraw/zinc/37/11/88/1310371188.db2.gz QODWDZHRCGAUSO-INIZCTEOSA-N 0 3 342.487 3.460 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]CC[C@H](O)C1CC1 ZINC000898204555 1310626095 /nfs/dbraw/zinc/62/60/95/1310626095.db2.gz WMTYATNGJUJAIL-IBGZPJMESA-N 0 3 327.424 3.222 20 10 EGCDHN C[C@@H]([NH2+]CCCNC(=O)/C=C/c1ccccc1)c1cc(F)ccc1[O-] ZINC000800505170 1310772658 /nfs/dbraw/zinc/77/26/58/1310772658.db2.gz IIGBJPAOZJNIDT-KUCQQTCKSA-N 0 3 342.414 3.402 20 10 EGCDHN COc1cc(Br)cc(C[NH2+][C@H]2C[C@@H](OC(C)C)C2)c1[O-] ZINC000839148025 1320881710 /nfs/dbraw/zinc/88/17/10/1320881710.db2.gz UTCYJWVSWKNHJO-BETUJISGSA-N 0 3 344.249 3.209 20 10 EGCDHN COc1cc(Br)cc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c1[O-] ZINC000839186176 1320889934 /nfs/dbraw/zinc/88/99/34/1320889934.db2.gz BKKYNKCHVUDRHI-ICCXJUOJSA-N 0 3 326.234 3.442 20 10 EGCDHN COc1ccc(N2CC[C@@H](CNCc3ccncc3Cl)C2)cc1 ZINC000858182650 1328706068 /nfs/dbraw/zinc/70/60/68/1328706068.db2.gz BKKDVLVTUJMBEO-AWEZNQCLSA-N 0 3 331.847 3.360 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C2CCN(c3cccnn3)CC2)c1[O-] ZINC000808715147 1317721276 /nfs/dbraw/zinc/72/12/76/1317721276.db2.gz ANJQFHFIEBBHTC-ZDUSSCGKSA-N 0 3 346.862 3.464 20 10 EGCDHN CCN1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000809698258 1317867909 /nfs/dbraw/zinc/86/79/09/1317867909.db2.gz WVLCKNJJJZMTPH-MRXNPFEDSA-N 0 3 346.475 3.111 20 10 EGCDHN CN(C)c1ccc(CNCc2ccc[nH]c2=O)c(C(F)(F)F)c1 ZINC000858304025 1328733411 /nfs/dbraw/zinc/73/34/11/1328733411.db2.gz CNFOKKGINNOOJZ-UHFFFAOYSA-N 0 3 325.334 3.162 20 10 EGCDHN CO[C@H](C)[C@@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000810257189 1317988233 /nfs/dbraw/zinc/98/82/33/1317988233.db2.gz MSBUITMWFFOGGZ-MGPQQGTHSA-N 0 3 326.868 3.251 20 10 EGCDHN Cc1ccc(O)c(CNC(=O)N[C@H](C)CN(C)Cc2ccccc2)c1 ZINC000858349193 1328742578 /nfs/dbraw/zinc/74/25/78/1328742578.db2.gz VYIVGFNWCWTMDI-MRXNPFEDSA-N 0 3 341.455 3.020 20 10 EGCDHN C[C@@H]([NH2+]Cc1cc2ccccc2n(C)c1=O)c1cc(F)ccc1[O-] ZINC000813881653 1318649706 /nfs/dbraw/zinc/64/97/06/1318649706.db2.gz RKUFDMLBYIIIGC-GFCCVEGCSA-N 0 3 326.371 3.234 20 10 EGCDHN COc1cccc([O-])c1C[N@@H+]1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000817414861 1319352649 /nfs/dbraw/zinc/35/26/49/1319352649.db2.gz POCXMCRVXKAFCQ-KGLIPLIRSA-N 0 3 335.444 3.201 20 10 EGCDHN COc1cccc([O-])c1C[N@H+]1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000817414861 1319352657 /nfs/dbraw/zinc/35/26/57/1319352657.db2.gz POCXMCRVXKAFCQ-KGLIPLIRSA-N 0 3 335.444 3.201 20 10 EGCDHN Cc1cc(C(=O)NCCN2CCCC2)c(C)n1-c1cccc(C)c1 ZINC000914878402 1319391370 /nfs/dbraw/zinc/39/13/70/1319391370.db2.gz CKQSVIOSSLVMTL-UHFFFAOYSA-N 0 3 325.456 3.228 20 10 EGCDHN CCC(N)(CC)C[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000817961270 1319478144 /nfs/dbraw/zinc/47/81/44/1319478144.db2.gz ZVVZPUFMYGHAAS-VIFPVBQESA-N 0 3 333.245 3.462 20 10 EGCDHN CC[C@@H]([NH2+]C[C@@H]1CNCCCO1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817983210 1319485075 /nfs/dbraw/zinc/48/50/75/1319485075.db2.gz ZIWVIGGNHFTABG-SMDDNHRTSA-N 0 3 333.259 3.118 20 10 EGCDHN CCN(CC)C(=O)CNCc1ccc(N(C)Cc2cccs2)cc1 ZINC000823730192 1320201721 /nfs/dbraw/zinc/20/17/21/1320201721.db2.gz RURRBDZUQGQIRT-UHFFFAOYSA-N 0 3 345.512 3.343 20 10 EGCDHN Cc1cc(C)c([C@@H](C)[NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)c([O-])c1 ZINC000840795865 1321150261 /nfs/dbraw/zinc/15/02/61/1321150261.db2.gz BXXKURFMDIEYEO-WBVHZDCISA-N 0 3 349.471 3.075 20 10 EGCDHN [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000843125457 1321473256 /nfs/dbraw/zinc/47/32/56/1321473256.db2.gz XBFLKUQFQXJFLA-ZBFHGGJFSA-N 0 3 345.270 3.027 20 10 EGCDHN CC(C)(C)OC(=O)CC[N@H+](Cc1ccccc1[O-])C1CCOCC1 ZINC000843413058 1321513940 /nfs/dbraw/zinc/51/39/40/1321513940.db2.gz DQZTVLFRWFOZGM-UHFFFAOYSA-N 0 3 335.444 3.105 20 10 EGCDHN CC(C)(C)OC(=O)CC[N@@H+](Cc1ccccc1[O-])C1CCOCC1 ZINC000843413058 1321513942 /nfs/dbraw/zinc/51/39/42/1321513942.db2.gz DQZTVLFRWFOZGM-UHFFFAOYSA-N 0 3 335.444 3.105 20 10 EGCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2c(c1)CNC2 ZINC000843485355 1321522425 /nfs/dbraw/zinc/52/24/25/1321522425.db2.gz KZTQVFDAQRNXOL-UHFFFAOYSA-N 0 3 337.467 3.407 20 10 EGCDHN CCCNC(=O)c1cccc(CN[C@H](C)c2cccc(OC)c2O)c1 ZINC000846142234 1321770981 /nfs/dbraw/zinc/77/09/81/1321770981.db2.gz YFDVOKAGKOYOEN-CQSZACIVSA-N 0 3 342.439 3.391 20 10 EGCDHN CNC(=O)CCC[N@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000846842244 1321815690 /nfs/dbraw/zinc/81/56/90/1321815690.db2.gz RQGXULWIOCAWLM-MRXNPFEDSA-N 0 3 326.440 3.482 20 10 EGCDHN CNC(=O)CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000846842244 1321815691 /nfs/dbraw/zinc/81/56/91/1321815691.db2.gz RQGXULWIOCAWLM-MRXNPFEDSA-N 0 3 326.440 3.482 20 10 EGCDHN COC(=O)[C@@H]1C[N@H+](Cc2ccccc2[O-])C[C@H]1c1ccc(Cl)cc1 ZINC000848920403 1322045420 /nfs/dbraw/zinc/04/54/20/1322045420.db2.gz FYWJHPWGJRECGU-DLBZAZTESA-N 0 3 345.826 3.434 20 10 EGCDHN COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2[O-])C[C@H]1c1ccc(Cl)cc1 ZINC000848920403 1322045427 /nfs/dbraw/zinc/04/54/27/1322045427.db2.gz FYWJHPWGJRECGU-DLBZAZTESA-N 0 3 345.826 3.434 20 10 EGCDHN CN(C)c1ccc(CNCc2ccc(O[C@H]3CCOC3)cc2)cc1F ZINC000850099464 1322192462 /nfs/dbraw/zinc/19/24/62/1322192462.db2.gz LSGMJZSECOIWOT-SFHVURJKSA-N 0 3 344.430 3.349 20 10 EGCDHN c1cc(CNCc2ccc(O[C@@H]3CCOC3)cc2)cc2c1OCC2 ZINC000850112154 1322193534 /nfs/dbraw/zinc/19/35/34/1322193534.db2.gz UGWHIBRJYXDXEF-LJQANCHMSA-N 0 3 325.408 3.079 20 10 EGCDHN CCNC(=O)[C@H](C)NCc1ccc(N(CC)Cc2ccccc2)cc1 ZINC000920957120 1322238775 /nfs/dbraw/zinc/23/87/75/1322238775.db2.gz IPIZBJZWQOFYLF-KRWDZBQOSA-N 0 3 339.483 3.327 20 10 EGCDHN Cc1cc(CNCc2ccc(N3CCC(O)CC3)cc2)cnc1Cl ZINC000850405881 1322240560 /nfs/dbraw/zinc/24/05/60/1322240560.db2.gz JFYGVIQIMUGMQU-UHFFFAOYSA-N 0 3 345.874 3.294 20 10 EGCDHN C[C@@H]([NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1)c1cc(F)ccc1[O-] ZINC000850580553 1322273401 /nfs/dbraw/zinc/27/34/01/1322273401.db2.gz OKVOGIDFUXVCCN-ANRSDYALSA-N 0 3 329.293 3.333 20 10 EGCDHN CCOc1cccc(CNCc2cnccc2C(F)(F)F)c1O ZINC000853094966 1323280126 /nfs/dbraw/zinc/28/01/26/1323280126.db2.gz DECHJZITZAGLKG-UHFFFAOYSA-N 0 3 326.318 3.495 20 10 EGCDHN OC1CCN(c2ccc(CNc3ccnc4ccccc43)cc2)CC1 ZINC000853955882 1325192298 /nfs/dbraw/zinc/19/22/98/1325192298.db2.gz KKPBNRQGMOZELD-UHFFFAOYSA-N 0 3 333.435 3.230 20 10 EGCDHN C[C@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@H]1CO ZINC000857062315 1325565075 /nfs/dbraw/zinc/56/50/75/1325565075.db2.gz ZYUMTBGGUBNBKS-RDJZCZTQSA-N 0 3 347.459 3.035 20 10 EGCDHN CC(C)[C@H](C(=O)N(Cc1ccccc1)c1ccc(N)cc1)N(C)C ZINC001183363492 1387303745 /nfs/dbraw/zinc/30/37/45/1387303745.db2.gz TYPIFYDLJOHOPM-LJQANCHMSA-N 0 3 325.456 3.388 20 10 EGCDHN O=C(c1ccccc1)N1CCC[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC001325316444 1387932220 /nfs/dbraw/zinc/93/22/20/1387932220.db2.gz TXBSNCYPZZZVTI-MSOLQXFVSA-N 0 3 336.435 3.274 20 10 EGCDHN Cc1cccc(N2C[C@@]3(CC[N@H+](Cc4ccccc4[O-])C3)CC2=O)c1 ZINC001203552677 1370167718 /nfs/dbraw/zinc/16/77/18/1370167718.db2.gz QCVFSZLAMQOTCG-NRFANRHFSA-N 0 3 336.435 3.330 20 10 EGCDHN Cc1cccc(N2C[C@@]3(CC[N@@H+](Cc4ccccc4[O-])C3)CC2=O)c1 ZINC001203552677 1370167722 /nfs/dbraw/zinc/16/77/22/1370167722.db2.gz QCVFSZLAMQOTCG-NRFANRHFSA-N 0 3 336.435 3.330 20 10 EGCDHN Cc1cc(N2CCN(Cc3ccccc3O)CC2)n(-c2ccccc2)n1 ZINC001203558496 1370169415 /nfs/dbraw/zinc/16/94/15/1370169415.db2.gz LBBCATVXKVPWRE-UHFFFAOYSA-N 0 3 348.450 3.209 20 10 EGCDHN COc1ccc(C[N@H+](C)C[C@H]2Cc3cc(OC)c(OC)cc32)c([O-])c1 ZINC001203634817 1370195512 /nfs/dbraw/zinc/19/55/12/1370195512.db2.gz WUZBPXJCTGIBIO-OAHLLOKOSA-N 0 3 343.423 3.190 20 10 EGCDHN COc1ccc(C[N@@H+](C)C[C@H]2Cc3cc(OC)c(OC)cc32)c([O-])c1 ZINC001203634817 1370195514 /nfs/dbraw/zinc/19/55/14/1370195514.db2.gz WUZBPXJCTGIBIO-OAHLLOKOSA-N 0 3 343.423 3.190 20 10 EGCDHN CCCc1noc(C2CCN(Cc3ccc(N(C)C)cc3)CC2)n1 ZINC001203936216 1370322694 /nfs/dbraw/zinc/32/26/94/1370322694.db2.gz BBHWMNUVZYRPAV-UHFFFAOYSA-N 0 3 328.460 3.468 20 10 EGCDHN C[S@](=O)c1ccc(CNCc2ccc(N3CCCC3)cc2)cc1 ZINC001117596215 1371055337 /nfs/dbraw/zinc/05/53/37/1371055337.db2.gz PQRWMUINERTTHX-QHCPKHFHSA-N 0 3 328.481 3.314 20 10 EGCDHN Cc1ccc(C)n1-c1ccc(CN2CCN([C@H]3CCOC3)CC2)cc1 ZINC001209519042 1372127185 /nfs/dbraw/zinc/12/71/85/1372127185.db2.gz QRXYSVIUNCAHSL-NRFANRHFSA-N 0 3 339.483 3.001 20 10 EGCDHN Cc1cc(N)ncc1Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001209970066 1372244072 /nfs/dbraw/zinc/24/40/72/1372244072.db2.gz SKUKHVZATNWJDU-UHFFFAOYSA-N 0 3 345.358 3.197 20 10 EGCDHN Cc1cc(N)[nH+]cc1Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001209970066 1372244074 /nfs/dbraw/zinc/24/40/74/1372244074.db2.gz SKUKHVZATNWJDU-UHFFFAOYSA-N 0 3 345.358 3.197 20 10 EGCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](Oc3ncccn3)C2)cc1Cl ZINC001231872265 1376333788 /nfs/dbraw/zinc/33/37/88/1376333788.db2.gz YADOGLPCDXNTSN-AWEZNQCLSA-N 0 3 333.819 3.187 20 10 EGCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H](Oc3ncccn3)C2)cc1Cl ZINC001231872265 1376333793 /nfs/dbraw/zinc/33/37/93/1376333793.db2.gz YADOGLPCDXNTSN-AWEZNQCLSA-N 0 3 333.819 3.187 20 10 EGCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)cc1Cl ZINC001232268094 1376427206 /nfs/dbraw/zinc/42/72/06/1376427206.db2.gz LXGDWXMODCPWTF-CQSZACIVSA-N 0 3 334.803 3.103 20 10 EGCDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)cc1Cl ZINC001232268094 1376427212 /nfs/dbraw/zinc/42/72/12/1376427212.db2.gz LXGDWXMODCPWTF-CQSZACIVSA-N 0 3 334.803 3.103 20 10 EGCDHN COc1cc(Cl)cc(CN2CCC(n3nccc3C)CC2)c1O ZINC001233290658 1376605522 /nfs/dbraw/zinc/60/55/22/1376605522.db2.gz PMJUKVFZRBVEDN-UHFFFAOYSA-N 0 3 335.835 3.396 20 10 EGCDHN COc1cc(Cl)cc(C[NH+]2CCC(n3nccc3C)CC2)c1[O-] ZINC001233290658 1376605524 /nfs/dbraw/zinc/60/55/24/1376605524.db2.gz PMJUKVFZRBVEDN-UHFFFAOYSA-N 0 3 335.835 3.396 20 10 EGCDHN C[C@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])CCC[C@@]1(C)O ZINC001233726229 1376704038 /nfs/dbraw/zinc/70/40/38/1376704038.db2.gz ATHJKXVANGCJFJ-XHDPSFHLSA-N 0 3 333.350 3.274 20 10 EGCDHN C[C@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])CCC[C@@]1(C)O ZINC001233726229 1376704043 /nfs/dbraw/zinc/70/40/43/1376704043.db2.gz ATHJKXVANGCJFJ-XHDPSFHLSA-N 0 3 333.350 3.274 20 10 EGCDHN COC[C@@H]1CCCC[N@@H+]1Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237053815 1376971475 /nfs/dbraw/zinc/97/14/75/1376971475.db2.gz QWULPEVCYOVUBQ-ZDUSSCGKSA-N 0 3 333.350 3.334 20 10 EGCDHN COC[C@@H]1CCCC[N@H+]1Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237053815 1376971477 /nfs/dbraw/zinc/97/14/77/1376971477.db2.gz QWULPEVCYOVUBQ-ZDUSSCGKSA-N 0 3 333.350 3.334 20 10 EGCDHN COC(=O)Cc1ccc(C[N@H+](Cc2ccccc2)C2CC2)c([O-])c1 ZINC001249208200 1377072753 /nfs/dbraw/zinc/07/27/53/1377072753.db2.gz PMYFXEITXSDORN-UHFFFAOYSA-N 0 3 325.408 3.272 20 10 EGCDHN COC(=O)Cc1ccc(C[N@@H+](Cc2ccccc2)C2CC2)c([O-])c1 ZINC001249208200 1377072757 /nfs/dbraw/zinc/07/27/57/1377072757.db2.gz PMYFXEITXSDORN-UHFFFAOYSA-N 0 3 325.408 3.272 20 10 EGCDHN CC[N@H+](Cc1cccc(OC)c1)Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249207838 1377072935 /nfs/dbraw/zinc/07/29/35/1377072935.db2.gz JQNJXZMUTBFASR-UHFFFAOYSA-N 0 3 343.423 3.138 20 10 EGCDHN CC[N@@H+](Cc1cccc(OC)c1)Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249207838 1377072938 /nfs/dbraw/zinc/07/29/38/1377072938.db2.gz JQNJXZMUTBFASR-UHFFFAOYSA-N 0 3 343.423 3.138 20 10 EGCDHN [O-]c1cccc(F)c1CN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001137839586 1377627930 /nfs/dbraw/zinc/62/79/30/1377627930.db2.gz DXSKMFSRHCPOGM-QZTJIDSGSA-N 0 3 340.442 3.485 20 10 EGCDHN [O-]c1cccc(F)c1CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001137839586 1377627931 /nfs/dbraw/zinc/62/79/31/1377627931.db2.gz DXSKMFSRHCPOGM-QZTJIDSGSA-N 0 3 340.442 3.485 20 10 EGCDHN [O-]c1cccc(F)c1CN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001137839587 1377628854 /nfs/dbraw/zinc/62/88/54/1377628854.db2.gz DXSKMFSRHCPOGM-ROUUACIJSA-N 0 3 340.442 3.485 20 10 EGCDHN [O-]c1cccc(F)c1CN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001137839587 1377628856 /nfs/dbraw/zinc/62/88/56/1377628856.db2.gz DXSKMFSRHCPOGM-ROUUACIJSA-N 0 3 340.442 3.485 20 10 EGCDHN Cc1cc(CN2CCCC[C@@H]2C(=O)N2CCCC2)ccc1N(C)C ZINC001139671786 1377931032 /nfs/dbraw/zinc/93/10/32/1377931032.db2.gz LKFNJMWQKOESRR-LJQANCHMSA-N 0 3 329.488 3.038 20 10 EGCDHN CC(C)(C)OC(=O)N1CC[C@@]12CC[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001140062632 1377999275 /nfs/dbraw/zinc/99/92/75/1377999275.db2.gz BZWILGCDIGAKPT-GOSISDBHSA-N 0 3 336.407 3.117 20 10 EGCDHN CC(C)(C)OC(=O)N1CC[C@@]12CC[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001140062632 1377999278 /nfs/dbraw/zinc/99/92/78/1377999278.db2.gz BZWILGCDIGAKPT-GOSISDBHSA-N 0 3 336.407 3.117 20 10 EGCDHN OC1CCN(c2ccc(CN3CC[C@@H](C(F)(F)F)C3)cc2)CC1 ZINC001140285295 1378041181 /nfs/dbraw/zinc/04/11/81/1378041181.db2.gz HVQLBJBZGSBNBU-CQSZACIVSA-N 0 3 328.378 3.032 20 10 EGCDHN O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cc(F)ccc2[O-])N1CC1CCCC1 ZINC001273283882 1378094644 /nfs/dbraw/zinc/09/46/44/1378094644.db2.gz BAWJNLUVYGGJON-QZTJIDSGSA-N 0 3 346.446 3.287 20 10 EGCDHN O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cc(F)ccc2[O-])N1CC1CCCC1 ZINC001273283882 1378094645 /nfs/dbraw/zinc/09/46/45/1378094645.db2.gz BAWJNLUVYGGJON-QZTJIDSGSA-N 0 3 346.446 3.287 20 10 EGCDHN Cc1ccc(O)c(CN2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)c1 ZINC001140621462 1378099565 /nfs/dbraw/zinc/09/95/65/1378099565.db2.gz KTGNEOZSAPPMOQ-INIZCTEOSA-N 0 3 342.487 3.314 20 10 EGCDHN Cc1ccc(CN2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)c(O)c1 ZINC001140947682 1378188081 /nfs/dbraw/zinc/18/80/81/1378188081.db2.gz AHFJWSBADURQEN-GDBMZVCRSA-N 0 3 332.444 3.142 20 10 EGCDHN Cc1ccc(C[N@H+](C)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001140950999 1378190364 /nfs/dbraw/zinc/19/03/64/1378190364.db2.gz SJVGOLXEEHCCFO-OAHLLOKOSA-N 0 3 334.460 3.389 20 10 EGCDHN Cc1ccc(C[N@@H+](C)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001140950999 1378190370 /nfs/dbraw/zinc/19/03/70/1378190370.db2.gz SJVGOLXEEHCCFO-OAHLLOKOSA-N 0 3 334.460 3.389 20 10 EGCDHN COc1cc([O-])c(C[N@@H+]2CC[C@H](OCc3ccccc3)C2)c(OC)c1 ZINC001141028442 1378212362 /nfs/dbraw/zinc/21/23/62/1378212362.db2.gz OOIIWCWEEREQIO-INIZCTEOSA-N 0 3 343.423 3.201 20 10 EGCDHN COc1cc([O-])c(C[N@H+]2CC[C@H](OCc3ccccc3)C2)c(OC)c1 ZINC001141028442 1378212369 /nfs/dbraw/zinc/21/23/69/1378212369.db2.gz OOIIWCWEEREQIO-INIZCTEOSA-N 0 3 343.423 3.201 20 10 EGCDHN COc1cc(O)c(CN2CC[C@H](OCc3ccccc3)C2)c(OC)c1 ZINC001141028442 1378212376 /nfs/dbraw/zinc/21/23/76/1378212376.db2.gz OOIIWCWEEREQIO-INIZCTEOSA-N 0 3 343.423 3.201 20 10 EGCDHN COc1cc([O-])c(C[NH+]2CCC3(CCOC3(C)C)CC2)c(OC)c1 ZINC001141030634 1378212526 /nfs/dbraw/zinc/21/25/26/1378212526.db2.gz DWZOKBNPSUOSNP-UHFFFAOYSA-N 0 3 335.444 3.191 20 10 EGCDHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccc2cc[nH]c2n1 ZINC001144179433 1378692853 /nfs/dbraw/zinc/69/28/53/1378692853.db2.gz FHBVJYNQLYJXKA-UHFFFAOYSA-N 0 3 336.439 3.032 20 10 EGCDHN COc1ccc(C[C@H](C)[N@H+](C)Cc2ccccc2[O-])c([N+](=O)[O-])c1 ZINC001170352466 1384298022 /nfs/dbraw/zinc/29/80/22/1384298022.db2.gz NWYHAPGFNZVGRE-ZDUSSCGKSA-N 0 3 330.384 3.372 20 10 EGCDHN COc1ccc(C[C@H](C)[N@@H+](C)Cc2ccccc2[O-])c([N+](=O)[O-])c1 ZINC001170352466 1384298027 /nfs/dbraw/zinc/29/80/27/1384298027.db2.gz NWYHAPGFNZVGRE-ZDUSSCGKSA-N 0 3 330.384 3.372 20 10 EGCDHN COc1ccc(Cl)c2c1C[C@H]([NH2+]Cc1cccc(O)c1[O-])CC2 ZINC001171296430 1384488192 /nfs/dbraw/zinc/48/81/92/1384488192.db2.gz AZBMHEGTEHCIEF-GFCCVEGCSA-N 0 3 333.815 3.407 20 10 EGCDHN COc1ccc(N2CCN([C@@H]3CCc4ncsc4C3)CC2)c(C)c1 ZINC001173145300 1384923697 /nfs/dbraw/zinc/92/36/97/1384923697.db2.gz KHWSFNFSUIPKTL-OAHLLOKOSA-N 0 3 343.496 3.140 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+][C@H](C)CC(=O)OC(C)(C)C)c1[O-] ZINC001320302703 1386571597 /nfs/dbraw/zinc/57/15/97/1386571597.db2.gz OEAQUPQRHSYVFW-SNVBAGLBSA-N 0 3 329.824 3.264 20 10 EGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)C(=O)NCC(F)(F)F)c1[O-] ZINC001342935216 1390675061 /nfs/dbraw/zinc/67/50/61/1390675061.db2.gz OMBFFMIAUKOOGR-RKDXNWHRSA-N 0 3 338.757 3.072 20 10 EGCDHN COc1ccc(CNC/C=C/CNC(=O)c2cccs2)cc1C ZINC001754091923 1440540734 /nfs/dbraw/zinc/54/07/34/1440540734.db2.gz MKUAMGHWVNZTBL-ONEGZZNKSA-N 0 3 330.453 3.141 20 10 EGCDHN CN(Cc1ccc(OC(F)F)cc1)Cc1cc2c(cc1O)OCO2 ZINC000003546913 452779435 /nfs/dbraw/zinc/77/94/35/452779435.db2.gz IZSRLBWHNNNAFJ-UHFFFAOYSA-N 0 3 337.322 3.354 20 10 EGCDHN CCN(C)c1ccc([C@@H](C)NCc2ccc(NC(N)=O)cc2)cc1 ZINC000130875163 454222892 /nfs/dbraw/zinc/22/28/92/454222892.db2.gz BDKBRMKUTYVYQH-CQSZACIVSA-N 0 3 326.444 3.484 20 10 EGCDHN CCCOc1ccc(C[N@H+](C)Cc2ccc(C(=O)NC)cc2)c([O-])c1 ZINC000121172566 454402401 /nfs/dbraw/zinc/40/24/01/454402401.db2.gz SUMLQCDMBXATPI-UHFFFAOYSA-N 0 3 342.439 3.173 20 10 EGCDHN CCCOc1ccc(C[N@@H+](C)Cc2ccc(C(=O)NC)cc2)c([O-])c1 ZINC000121172566 454402407 /nfs/dbraw/zinc/40/24/07/454402407.db2.gz SUMLQCDMBXATPI-UHFFFAOYSA-N 0 3 342.439 3.173 20 10 EGCDHN CC(=O)c1cc(F)cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1[O-] ZINC000134886473 454603961 /nfs/dbraw/zinc/60/39/61/454603961.db2.gz IBZPWEMWGOSHGS-AUUYWEPGSA-N 0 3 346.446 3.183 20 10 EGCDHN CC(=O)c1cc(F)cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1[O-] ZINC000134886473 454603965 /nfs/dbraw/zinc/60/39/65/454603965.db2.gz IBZPWEMWGOSHGS-AUUYWEPGSA-N 0 3 346.446 3.183 20 10 EGCDHN CCCOc1ccc(C[NH+]2CCC(c3cnn(C)c3)CC2)c([O-])c1 ZINC000092808903 454636262 /nfs/dbraw/zinc/63/62/62/454636262.db2.gz ZNVGPDGBXPOSPX-UHFFFAOYSA-N 0 3 329.444 3.294 20 10 EGCDHN CCN1CCN(c2ccc(CNCc3ccc(C)o3)cc2F)CC1 ZINC000106487149 454696472 /nfs/dbraw/zinc/69/64/72/454696472.db2.gz UEHYPXNVFNQRNW-UHFFFAOYSA-N 0 3 331.435 3.159 20 10 EGCDHN CCOc1ccc([O-])c(C[NH+]2CCC(CN3CCCCC3=O)CC2)c1 ZINC000093532274 454719615 /nfs/dbraw/zinc/71/96/15/454719615.db2.gz NGAGIFGZMGUXME-UHFFFAOYSA-N 0 3 346.471 3.015 20 10 EGCDHN CCOc1cccc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c1[O-] ZINC000093842188 454740018 /nfs/dbraw/zinc/74/00/18/454740018.db2.gz WEJNMUXLOMBBHH-SFHVURJKSA-N 0 3 349.471 3.341 20 10 EGCDHN [O-]c1ccccc1C[N@H+](CCCCCn1cccn1)C[C@H]1CCCO1 ZINC000109761980 454836150 /nfs/dbraw/zinc/83/61/50/454836150.db2.gz MWYPPJUAGXWRCH-LJQANCHMSA-N 0 3 343.471 3.440 20 10 EGCDHN [O-]c1ccccc1C[N@@H+](CCCCCn1cccn1)C[C@H]1CCCO1 ZINC000109761980 454836152 /nfs/dbraw/zinc/83/61/52/454836152.db2.gz MWYPPJUAGXWRCH-LJQANCHMSA-N 0 3 343.471 3.440 20 10 EGCDHN Cc1nccn1-c1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000126345040 454887857 /nfs/dbraw/zinc/88/78/57/454887857.db2.gz IMKMGXJCRBRHST-OAHLLOKOSA-N 0 3 335.455 3.493 20 10 EGCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000179555273 455057584 /nfs/dbraw/zinc/05/75/84/455057584.db2.gz VALKUAIZBWDUJQ-MRXNPFEDSA-N 0 3 326.444 3.090 20 10 EGCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000179555273 455057587 /nfs/dbraw/zinc/05/75/87/455057587.db2.gz VALKUAIZBWDUJQ-MRXNPFEDSA-N 0 3 326.444 3.090 20 10 EGCDHN CCCN(Cc1ccccc1O)[C@H](C)C(=O)Nc1ccnn1C(C)C ZINC000157071788 455163835 /nfs/dbraw/zinc/16/38/35/455163835.db2.gz GGKZOVBSDYRJRX-OAHLLOKOSA-N 0 3 344.459 3.409 20 10 EGCDHN COc1ccc(CNCc2ccnc(OC3CCOCC3)c2)cc1C ZINC000264982310 455298041 /nfs/dbraw/zinc/29/80/41/455298041.db2.gz UZQKFYYFHTUGBT-UHFFFAOYSA-N 0 3 342.439 3.246 20 10 EGCDHN CCOc1ccc([O-])c(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2F)c1 ZINC000265133339 455300995 /nfs/dbraw/zinc/30/09/95/455300995.db2.gz JKXHRGWMIMQOJO-GOSISDBHSA-N 0 3 337.366 3.066 20 10 EGCDHN Oc1ccccc1CN(Cc1cccc2nccn21)C[C@@H]1CCCO1 ZINC000183513059 455301680 /nfs/dbraw/zinc/30/16/80/455301680.db2.gz LJSUMGRVUOCITM-SFHVURJKSA-N 0 3 337.423 3.221 20 10 EGCDHN CCC[N@H+](Cc1cc2c(cc1[O-])OCO2)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000265871607 455396754 /nfs/dbraw/zinc/39/67/54/455396754.db2.gz JLBDJFCURLTNRX-FSPWUOQZSA-N 0 3 333.428 3.146 20 10 EGCDHN CCC[N@@H+](Cc1cc2c(cc1[O-])OCO2)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000265871607 455396758 /nfs/dbraw/zinc/39/67/58/455396758.db2.gz JLBDJFCURLTNRX-FSPWUOQZSA-N 0 3 333.428 3.146 20 10 EGCDHN COc1cc(O)c(CN(C)Cc2cccc(N(C)C)c2)cc1OC ZINC000160455120 455460976 /nfs/dbraw/zinc/46/09/76/455460976.db2.gz REGPGXXNJUCQSE-UHFFFAOYSA-N 0 3 330.428 3.107 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]Cc2cccc(CN3CCOCC3)c2)c([O-])c1 ZINC000185063414 455493913 /nfs/dbraw/zinc/49/39/13/455493913.db2.gz YCEHZLGECKZMNG-KRWDZBQOSA-N 0 3 340.467 3.384 20 10 EGCDHN C[C@@H]([NH2+]CCC(=O)N1CCCCC1)c1cc2c(cc1[O-])CCCC2 ZINC000185061946 455494290 /nfs/dbraw/zinc/49/42/90/455494290.db2.gz DXCMOWGBLRUAMH-OAHLLOKOSA-N 0 3 330.472 3.324 20 10 EGCDHN COc1ccc(O)c([C@H](C)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000185170566 455514763 /nfs/dbraw/zinc/51/47/63/455514763.db2.gz SLYCQUIVWFKGEH-OLZOCXBDSA-N 0 3 349.452 3.216 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](O)COc2ccc(F)c(F)c2)c([O-])c1 ZINC000185375176 455550523 /nfs/dbraw/zinc/55/05/23/455550523.db2.gz DGYYCIHOZYAHKP-STQMWFEESA-N 0 3 337.366 3.069 20 10 EGCDHN CCCOc1ccc(C[NH2+]Cc2ccnc(OC(F)F)c2)c([O-])c1 ZINC000284145661 455642289 /nfs/dbraw/zinc/64/22/89/455642289.db2.gz VIPFGVDKKXYJNR-UHFFFAOYSA-N 0 3 338.354 3.467 20 10 EGCDHN COc1cc(OC)cc([C@@H](O)C[NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])c1 ZINC000284162624 455644149 /nfs/dbraw/zinc/64/41/49/455644149.db2.gz PXBJEAAVLQVGFM-LIRRHRJNSA-N 0 3 345.439 3.410 20 10 EGCDHN COc1ccc([C@@H](CN(C)C)N[C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000284260704 455659328 /nfs/dbraw/zinc/65/93/28/455659328.db2.gz GILBPSLISCLDMO-IFXJQAMLSA-N 0 3 344.455 3.363 20 10 EGCDHN CCc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3cc(C)ccc3[O-])C2)ncn1 ZINC000186023454 455677652 /nfs/dbraw/zinc/67/76/52/455677652.db2.gz FTIIVIMCWHLEBX-RDJZCZTQSA-N 0 3 340.471 3.373 20 10 EGCDHN COc1cc(O)c(CN2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)cc1OC ZINC000284460293 455689701 /nfs/dbraw/zinc/68/97/01/455689701.db2.gz QPVIHQYJRGQOCT-CABCVRRESA-N 0 3 346.254 3.425 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+]C[C@H]2CCO[C@@H](C)C2)c1[O-] ZINC000271811250 455769589 /nfs/dbraw/zinc/76/95/89/455769589.db2.gz KVMMYGBGSRRLFC-RYUDHWBXSA-N 0 3 328.250 3.368 20 10 EGCDHN Cc1cc(CN2CCC[C@@H](CNC(=O)C(C)C)C2)ccc1N(C)C ZINC000293003635 455770240 /nfs/dbraw/zinc/77/02/40/455770240.db2.gz HAJLGEVABZZYNZ-SFHVURJKSA-N 0 3 331.504 3.045 20 10 EGCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000186450614 455771058 /nfs/dbraw/zinc/77/10/58/455771058.db2.gz ZVDGRQJQEXMESB-HXUWFJFHSA-N 0 3 325.408 3.422 20 10 EGCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000186450614 455771062 /nfs/dbraw/zinc/77/10/62/455771062.db2.gz ZVDGRQJQEXMESB-HXUWFJFHSA-N 0 3 325.408 3.422 20 10 EGCDHN Cc1cc(CN2CC[C@H](OCc3ccncc3)C2)ccc1N(C)C ZINC000294228215 455808544 /nfs/dbraw/zinc/80/85/44/455808544.db2.gz SRNLLDPHIJRONI-IBGZPJMESA-N 0 3 325.456 3.247 20 10 EGCDHN O=C(C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-])NCC(F)F ZINC000294525888 455818346 /nfs/dbraw/zinc/81/83/46/455818346.db2.gz ZOASBFMZRVGOTE-MRXNPFEDSA-N 0 3 348.393 3.037 20 10 EGCDHN Cc1cc(C)c([C@H](C)[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)c([O-])c1 ZINC000285321148 455824118 /nfs/dbraw/zinc/82/41/18/455824118.db2.gz TWNLMSVDCGYVJF-SZMVWBNQSA-N 0 3 332.488 3.037 20 10 EGCDHN COC[C@H](CNCc1ccc(N(C)Cc2cccs2)cc1)OC ZINC000295402777 455848155 /nfs/dbraw/zinc/84/81/55/455848155.db2.gz MJDYYNBPZWNEPF-KRWDZBQOSA-N 0 3 334.485 3.136 20 10 EGCDHN C[C@@H]1CN(c2ccc(CNC[C@H]3CCC=CO3)cc2F)C[C@@H](C)O1 ZINC000278844615 455850020 /nfs/dbraw/zinc/85/00/20/455850020.db2.gz KHRSSBVQQYAGQI-BFYDXBDKSA-N 0 3 334.435 3.222 20 10 EGCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H](CN1CCOCC1)c1ccccc1)CC2 ZINC000295775955 455859570 /nfs/dbraw/zinc/85/95/70/455859570.db2.gz AOCCQAYELULELS-MOPGFXCFSA-N 0 3 338.451 3.043 20 10 EGCDHN [O-]c1cccc2c1[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)CC2 ZINC000295844720 455861983 /nfs/dbraw/zinc/86/19/83/455861983.db2.gz FSHVCPBNTSWZSZ-IBGZPJMESA-N 0 3 338.451 3.002 20 10 EGCDHN C[C@H]([NH2+]CCCCn1cc(Br)cn1)c1ccccc1[O-] ZINC000279928222 455877642 /nfs/dbraw/zinc/87/76/42/455877642.db2.gz ANBOXIFVFCXSNV-LBPRGKRZSA-N 0 3 338.249 3.482 20 10 EGCDHN CC[C@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(C)cc1[O-] ZINC000280278213 455934632 /nfs/dbraw/zinc/93/46/32/455934632.db2.gz YKIBCLDBKLKZFJ-UONOGXRCSA-N 0 3 344.377 3.295 20 10 EGCDHN Cc1ccc([C@H](C)[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c([O-])c1C ZINC000296618508 455990768 /nfs/dbraw/zinc/99/07/68/455990768.db2.gz WSWLIDCJLXBODH-YESZJQIVSA-N 0 3 338.451 3.351 20 10 EGCDHN Cc1ccc([C@H](C)[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c([O-])c1C ZINC000296618508 455990775 /nfs/dbraw/zinc/99/07/75/455990775.db2.gz WSWLIDCJLXBODH-YESZJQIVSA-N 0 3 338.451 3.351 20 10 EGCDHN C[C@@H]1CN(c2ccc(CNCc3ccn(C)c3)cc2F)C[C@H](C)O1 ZINC000270623844 455998471 /nfs/dbraw/zinc/99/84/71/455998471.db2.gz KQGPVVPZZJCFEY-GASCZTMLSA-N 0 3 331.435 3.068 20 10 EGCDHN COC[C@]1(C[NH2+][C@H](C)c2cc(F)ccc2[O-])OCCc2ccccc21 ZINC000289802796 456143266 /nfs/dbraw/zinc/14/32/66/456143266.db2.gz OBFDESDAVJQSMA-VLIAUNLRSA-N 0 3 345.414 3.297 20 10 EGCDHN COc1ccc(C(=O)NCC[NH2+][C@H](C)c2ccc(C)c(C)c2[O-])cc1 ZINC000273351859 456223766 /nfs/dbraw/zinc/22/37/66/456223766.db2.gz BZFSPGUGTPRNED-OAHLLOKOSA-N 0 3 342.439 3.098 20 10 EGCDHN C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cc(F)ccc1[O-] ZINC000273374656 456226591 /nfs/dbraw/zinc/22/65/91/456226591.db2.gz GWVCIOMODIOJBZ-AWEZNQCLSA-N 0 3 330.403 3.219 20 10 EGCDHN COCCOc1ncccc1CN[C@@H](C)c1ccc(C)c(C)c1O ZINC000273439646 456230175 /nfs/dbraw/zinc/23/01/75/456230175.db2.gz YBHSGRIOLZVKCH-HNNXBMFYSA-N 0 3 330.428 3.280 20 10 EGCDHN COC(=O)Nc1ccc(CC[NH2+][C@H](C)c2cc(OC)ccc2[O-])cc1 ZINC000273516651 456235800 /nfs/dbraw/zinc/23/58/00/456235800.db2.gz SOQUUIZQPJWJAC-CYBMUJFWSA-N 0 3 344.411 3.472 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]CC2([C@H](C)CCO)CCC2)c1[O-] ZINC000273733149 456243598 /nfs/dbraw/zinc/24/35/98/456243598.db2.gz KQPWWNONRUVNBO-GFCCVEGCSA-N 0 3 327.852 3.333 20 10 EGCDHN C[C@@H](NCc1ccncc1OCCC[NH+](C)C)c1ccc(F)cc1[O-] ZINC000290161778 456256747 /nfs/dbraw/zinc/25/67/47/456256747.db2.gz DGGQFWSJCZWOQG-CQSZACIVSA-N 0 3 347.434 3.108 20 10 EGCDHN COCCOCC[N@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000290167631 456257650 /nfs/dbraw/zinc/25/76/50/456257650.db2.gz MNZBXXPGIRFDGB-UHFFFAOYSA-N 0 3 345.439 3.066 20 10 EGCDHN COCCOCC[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000290167631 456257654 /nfs/dbraw/zinc/25/76/54/456257654.db2.gz MNZBXXPGIRFDGB-UHFFFAOYSA-N 0 3 345.439 3.066 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)Cn2ccnc2)c1[O-] ZINC000275368081 456274148 /nfs/dbraw/zinc/27/41/48/456274148.db2.gz UZLFBXSWQPVPCX-NEPJUHHUSA-N 0 3 338.249 3.399 20 10 EGCDHN CCOc1cccc(C[NH2+]C2CCN(c3nccs3)CC2)c1[O-] ZINC000282063203 456404114 /nfs/dbraw/zinc/40/41/14/456404114.db2.gz BKGOLNMABBQWMO-UHFFFAOYSA-N 0 3 333.457 3.006 20 10 EGCDHN COCCOCc1ccc(C[NH2+][C@H](C)c2cc(OC)ccc2[O-])cc1 ZINC000291354574 456617111 /nfs/dbraw/zinc/61/71/11/456617111.db2.gz XOYLFVPHWDFXIG-OAHLLOKOSA-N 0 3 345.439 3.415 20 10 EGCDHN COc1ccc([O-])c(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c1 ZINC000368036112 458007044 /nfs/dbraw/zinc/00/70/44/458007044.db2.gz IDWWKEDDOBLWCQ-AABGKKOBSA-N 0 3 339.435 3.405 20 10 EGCDHN COc1ccc([O-])c(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c1 ZINC000368036112 458007046 /nfs/dbraw/zinc/00/70/46/458007046.db2.gz IDWWKEDDOBLWCQ-AABGKKOBSA-N 0 3 339.435 3.405 20 10 EGCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000373241968 458440911 /nfs/dbraw/zinc/44/09/11/458440911.db2.gz YKSTYHBOCPJVHI-UHFFFAOYSA-N 0 3 327.424 3.317 20 10 EGCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCOC2(CCOCC2)CC1 ZINC000373241968 458440915 /nfs/dbraw/zinc/44/09/15/458440915.db2.gz YKSTYHBOCPJVHI-UHFFFAOYSA-N 0 3 327.424 3.317 20 10 EGCDHN CN1CCCc2cc(CNC[C@H](O)c3ccc(F)c(F)c3)ccc21 ZINC000727643944 574680153 /nfs/dbraw/zinc/68/01/53/574680153.db2.gz QXKVAOCFTCNSOG-IBGZPJMESA-N 0 3 332.394 3.170 20 10 EGCDHN Cc1cc(C(=O)N(C)CCN2CCCC2)c(C)n1-c1ccc(F)cc1 ZINC000728550601 574758400 /nfs/dbraw/zinc/75/84/00/574758400.db2.gz SNFMWTIPZPWBPI-UHFFFAOYSA-N 0 3 343.446 3.401 20 10 EGCDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)c1cccc(F)c1)C[C@H]1CCCO1 ZINC000731844656 575211866 /nfs/dbraw/zinc/21/18/66/575211866.db2.gz LYOBBGHXXHRADK-UYAOXDASSA-N 0 3 345.414 3.246 20 10 EGCDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)c1cccc(F)c1)C[C@H]1CCCO1 ZINC000731844656 575211868 /nfs/dbraw/zinc/21/18/68/575211868.db2.gz LYOBBGHXXHRADK-UYAOXDASSA-N 0 3 345.414 3.246 20 10 EGCDHN CC[C@H](C)[C@](C)(O)CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000732821009 575289832 /nfs/dbraw/zinc/28/98/32/575289832.db2.gz SSTCBTQUMHJALY-HNAYVOBHSA-N 0 3 349.475 3.472 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+](CCc1cccc(F)c1)C1CC1)OCO2 ZINC000733789479 575389578 /nfs/dbraw/zinc/38/95/78/575389578.db2.gz UBYYOWWBKGKUIP-UHFFFAOYSA-N 0 3 329.371 3.467 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+](CCc1cccc(F)c1)C1CC1)OCO2 ZINC000733789479 575389582 /nfs/dbraw/zinc/38/95/82/575389582.db2.gz UBYYOWWBKGKUIP-UHFFFAOYSA-N 0 3 329.371 3.467 20 10 EGCDHN CCN(C)c1ccc(CN2CCC[C@H](CNC(=O)C(C)C)C2)cc1 ZINC000741753789 576717226 /nfs/dbraw/zinc/71/72/26/576717226.db2.gz BPSOFHRYKXLVHW-GOSISDBHSA-N 0 3 331.504 3.127 20 10 EGCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000743869821 576817942 /nfs/dbraw/zinc/81/79/42/576817942.db2.gz BOMIFILKAYPNNU-IXDOHACOSA-N 0 3 332.488 3.497 20 10 EGCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000743869821 576817943 /nfs/dbraw/zinc/81/79/43/576817943.db2.gz BOMIFILKAYPNNU-IXDOHACOSA-N 0 3 332.488 3.497 20 10 EGCDHN CN(C)c1ccc([C@@H](CNC(=O)Nc2ccccc2F)N(C)C)cc1 ZINC000038635604 1291403122 /nfs/dbraw/zinc/40/31/22/1291403122.db2.gz NKDDYQZNGPZKKW-GOSISDBHSA-N 0 3 344.434 3.316 20 10 EGCDHN COC(=O)COc1c(C)cc(C[N@H+](C)Cc2ccccc2[O-])cc1C ZINC000091974731 1292850204 /nfs/dbraw/zinc/85/02/04/1292850204.db2.gz BMMQGRSYCPBQAT-UHFFFAOYSA-N 0 3 343.423 3.193 20 10 EGCDHN COC(=O)COc1c(C)cc(C[N@@H+](C)Cc2ccccc2[O-])cc1C ZINC000091974731 1292850213 /nfs/dbraw/zinc/85/02/13/1292850213.db2.gz BMMQGRSYCPBQAT-UHFFFAOYSA-N 0 3 343.423 3.193 20 10 EGCDHN O=C1C[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CN1[C@@H]1C[C@H]1c1ccccc1 ZINC000834672776 1293131597 /nfs/dbraw/zinc/13/15/97/1293131597.db2.gz JITFFSKUEIMGEQ-INDMIFKZSA-N 0 3 348.446 3.126 20 10 EGCDHN O=C1[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCCN1c1ccccc1F ZINC000834693184 1293132872 /nfs/dbraw/zinc/13/28/72/1293132872.db2.gz LWFIOKMONQVBJS-CVEARBPZSA-N 0 3 340.398 3.304 20 10 EGCDHN Cc1ncccc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000834911292 1293174291 /nfs/dbraw/zinc/17/42/91/1293174291.db2.gz LPNYQXDQXTUBQH-ZFWWWQNUSA-N 0 3 326.444 3.134 20 10 EGCDHN CCn1nccc1C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000119214690 1293260226 /nfs/dbraw/zinc/26/02/26/1293260226.db2.gz BARSJDBTNCTAPR-MRXNPFEDSA-N 0 3 348.878 3.016 20 10 EGCDHN CC(C)(C)OC(=O)CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000121048245 1293352700 /nfs/dbraw/zinc/35/27/00/1293352700.db2.gz GBIZXCSDRLIBSZ-INIZCTEOSA-N 0 3 335.444 3.105 20 10 EGCDHN CC(C)(C)OC(=O)CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000121048245 1293352707 /nfs/dbraw/zinc/35/27/07/1293352707.db2.gz GBIZXCSDRLIBSZ-INIZCTEOSA-N 0 3 335.444 3.105 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC[C@H](CNC(C)=O)C2)cc1F ZINC000155600068 1294105775 /nfs/dbraw/zinc/10/57/75/1294105775.db2.gz CJQYLERONPWYIX-QGZVFWFLSA-N 0 3 335.467 3.020 20 10 EGCDHN COc1ccc(O)c([C@@H](C)NC(=O)Nc2cccc(CN(C)C)c2)c1 ZINC000171720417 1294415687 /nfs/dbraw/zinc/41/56/87/1294415687.db2.gz YNUQSVCPXCLOQO-CYBMUJFWSA-N 0 3 343.427 3.345 20 10 EGCDHN C[C@H](NCc1ccccc1N1CCOCC1)c1ccc(N(C)C)cc1 ZINC000177963783 1294706570 /nfs/dbraw/zinc/70/65/70/1294706570.db2.gz SPQVURHKCHXEMV-KRWDZBQOSA-N 0 3 339.483 3.440 20 10 EGCDHN CCc1noc(-c2ccc(CC[NH2+]Cc3cc(F)ccc3[O-])cc2)n1 ZINC000180699715 1294909034 /nfs/dbraw/zinc/90/90/34/1294909034.db2.gz RGSAUHPNPSSKTO-UHFFFAOYSA-N 0 3 341.386 3.476 20 10 EGCDHN CCN1CCN(c2cccc(NC(=O)c3cc(F)ccc3F)c2)CC1 ZINC000184265114 1295185118 /nfs/dbraw/zinc/18/51/18/1295185118.db2.gz DFQZYUCFTHNRLJ-UHFFFAOYSA-N 0 3 345.393 3.359 20 10 EGCDHN Cc1cc(O)c(CN2CCN(c3nccc(C(C)C)n3)CC2)cc1C ZINC000184933102 1295229565 /nfs/dbraw/zinc/22/95/65/1295229565.db2.gz BXAQXTOAWIAFQT-UHFFFAOYSA-N 0 3 340.471 3.245 20 10 EGCDHN C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])[C@@H]1CO ZINC000191179210 1295656403 /nfs/dbraw/zinc/65/64/03/1295656403.db2.gz BVOJFXLAPDVTJX-DNVCBOLYSA-N 0 3 327.424 3.174 20 10 EGCDHN C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])[C@@H]1CO ZINC000191179210 1295656413 /nfs/dbraw/zinc/65/64/13/1295656413.db2.gz BVOJFXLAPDVTJX-DNVCBOLYSA-N 0 3 327.424 3.174 20 10 EGCDHN COc1ccc(OC)c([C@H](O)[C@H](C)[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000872134553 1296759003 /nfs/dbraw/zinc/75/90/03/1296759003.db2.gz CJWQJDHNCNHHJQ-UYSIFFEZSA-N 0 3 349.402 3.321 20 10 EGCDHN [NH3+][C@@H]1CN(Cc2cc(Br)ccc2[O-])C[C@H]1c1ccccc1 ZINC000314343321 1297128156 /nfs/dbraw/zinc/12/81/56/1297128156.db2.gz NIFXOPODBLJSRI-JKSUJKDBSA-N 0 3 347.256 3.081 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]CCSCC(F)(F)F)c1[O-] ZINC000698957458 1298169191 /nfs/dbraw/zinc/16/91/91/1298169191.db2.gz LYQJJWPMMZWCCO-UHFFFAOYSA-N 0 3 329.771 3.439 20 10 EGCDHN CC[NH+](CC)C1CCN(Cc2c([O-])cccc2Br)CC1 ZINC000707163527 1298227463 /nfs/dbraw/zinc/22/74/63/1298227463.db2.gz KIWVOJFADPPYSL-UHFFFAOYSA-N 0 3 341.293 3.461 20 10 EGCDHN CCN1CC[C@H](C[NH2+]Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708087449 1298235345 /nfs/dbraw/zinc/23/53/45/1298235345.db2.gz BVBXUDKBLISCHT-SNVBAGLBSA-N 0 3 347.684 3.240 20 10 EGCDHN [O-]c1c(F)cc(Br)cc1CN[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000715780819 1298286209 /nfs/dbraw/zinc/28/62/09/1298286209.db2.gz YVEXUXJYOOEDKO-KGLIPLIRSA-N 0 3 343.240 3.010 20 10 EGCDHN [O-]c1c(F)cc(Br)cc1CN[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000715780819 1298286219 /nfs/dbraw/zinc/28/62/19/1298286219.db2.gz YVEXUXJYOOEDKO-KGLIPLIRSA-N 0 3 343.240 3.010 20 10 EGCDHN Cc1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c([O-])c1 ZINC000876559414 1298828281 /nfs/dbraw/zinc/82/82/81/1298828281.db2.gz ZXHZWEZCDLDEPR-KRWDZBQOSA-N 0 3 340.471 3.398 20 10 EGCDHN Cc1ccc(C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c([O-])c1 ZINC000876559414 1298828301 /nfs/dbraw/zinc/82/83/01/1298828301.db2.gz ZXHZWEZCDLDEPR-KRWDZBQOSA-N 0 3 340.471 3.398 20 10 EGCDHN OC1CCN(c2ccc(CN3CCC[C@@H]3c3ccccn3)cc2)CC1 ZINC000876585715 1298849584 /nfs/dbraw/zinc/84/95/84/1298849584.db2.gz UHFOBNMFNYMDEW-OAQYLSRUSA-N 0 3 337.467 3.380 20 10 EGCDHN Cc1ccc(C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c([O-])c1 ZINC000876614384 1298869449 /nfs/dbraw/zinc/86/94/49/1298869449.db2.gz LOWKIEYCBIERBZ-INIZCTEOSA-N 0 3 330.472 3.171 20 10 EGCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000876690829 1298924055 /nfs/dbraw/zinc/92/40/55/1298924055.db2.gz SGTMQMLCRYXHDU-OAHLLOKOSA-N 0 3 334.460 3.389 20 10 EGCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000876690829 1298924067 /nfs/dbraw/zinc/92/40/67/1298924067.db2.gz SGTMQMLCRYXHDU-OAHLLOKOSA-N 0 3 334.460 3.389 20 10 EGCDHN CCN(C[C@H]1CC[N@H+](Cc2c(C)cccc2[O-])C1)CC(F)(F)F ZINC000876780527 1298982507 /nfs/dbraw/zinc/98/25/07/1298982507.db2.gz HJUMBCSFRHFRTA-CQSZACIVSA-N 0 3 330.394 3.407 20 10 EGCDHN CCN(C[C@H]1CC[N@@H+](Cc2c(C)cccc2[O-])C1)CC(F)(F)F ZINC000876780527 1298982520 /nfs/dbraw/zinc/98/25/20/1298982520.db2.gz HJUMBCSFRHFRTA-CQSZACIVSA-N 0 3 330.394 3.407 20 10 EGCDHN Cc1ccc(CNc2ccccc2CN2CCC(O)CC2)c(O)c1 ZINC000876826836 1299016925 /nfs/dbraw/zinc/01/69/25/1299016925.db2.gz CLDMYZYNFNKQRQ-UHFFFAOYSA-N 0 3 326.440 3.269 20 10 EGCDHN COc1ccc([C@@H](C[NH2+]Cc2ccc(C)cc2[O-])N(C)C)cc1OC ZINC000876892944 1299053240 /nfs/dbraw/zinc/05/32/40/1299053240.db2.gz MEWWJURANUADQM-QGZVFWFLSA-N 0 3 344.455 3.110 20 10 EGCDHN COc1ccc([C@H](C[NH2+]Cc2c(C)cccc2[O-])N(C)C)cc1OC ZINC000876892945 1299053313 /nfs/dbraw/zinc/05/33/13/1299053313.db2.gz MFHPLUHVKRMPKG-KRWDZBQOSA-N 0 3 344.455 3.110 20 10 EGCDHN COc1ccc(Cl)cc1NC(=O)CC[NH2+]Cc1c(C)cccc1[O-] ZINC000877082002 1299149070 /nfs/dbraw/zinc/14/90/70/1299149070.db2.gz KNOJAFRZENQIRP-UHFFFAOYSA-N 0 3 348.830 3.481 20 10 EGCDHN COc1cc(OC)cc(N2CC[C@@H]([NH2+]Cc3ccc(C)cc3[O-])C2)c1 ZINC000877079446 1299149200 /nfs/dbraw/zinc/14/92/00/1299149200.db2.gz YXEIFNAUZQIXNK-MRXNPFEDSA-N 0 3 342.439 3.086 20 10 EGCDHN CCc1ccc([C@@H](CNC(=O)c2ccc(C)c(O)c2O)N(C)C)cc1 ZINC000751531065 1299563306 /nfs/dbraw/zinc/56/33/06/1299563306.db2.gz YOMYFZWYECLVCH-QGZVFWFLSA-N 0 3 342.439 3.001 20 10 EGCDHN O=C1NC2(CO1)CC[NH+](Cc1cc(-c3ccccc3)ccc1[O-])CC2 ZINC000753587047 1299981536 /nfs/dbraw/zinc/98/15/36/1299981536.db2.gz KAYFQRMMYFKQKQ-UHFFFAOYSA-N 0 3 338.407 3.134 20 10 EGCDHN COc1ccc([C@H](O)C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)cc1 ZINC000756381510 1300481084 /nfs/dbraw/zinc/48/10/84/1300481084.db2.gz MCLROTZAQHGGKR-XQAQDONZSA-N 0 3 331.387 3.411 20 10 EGCDHN Cc1ccc(C(=O)NCC[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)cc1 ZINC000756446483 1300493500 /nfs/dbraw/zinc/49/35/00/1300493500.db2.gz QRGBYMQVJMCLHO-BBRMVZONSA-N 0 3 342.414 3.408 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+]CCNC(=O)c2ccccc2F)c2c1c(F)ccc2[O-] ZINC000756460721 1300497767 /nfs/dbraw/zinc/49/77/67/1300497767.db2.gz RAKLIJHABBERGN-ABAIWWIYSA-N 0 3 346.377 3.238 20 10 EGCDHN CNC(=O)c1cccc(CC[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)c1 ZINC000756604124 1300529392 /nfs/dbraw/zinc/52/93/92/1300529392.db2.gz LRHABCKJLYBDOJ-LRDDRELGSA-N 0 3 342.414 3.272 20 10 EGCDHN C[C@@H]([NH2+]CC(=O)NCCCSc1ccccc1)c1ccccc1[O-] ZINC000879647671 1300648298 /nfs/dbraw/zinc/64/82/98/1300648298.db2.gz HXQTXIUHSRWQGX-OAHLLOKOSA-N 0 3 344.480 3.341 20 10 EGCDHN Cc1ccccc1C[C@H](C)NC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648699 1300649124 /nfs/dbraw/zinc/64/91/24/1300649124.db2.gz ZPDHNROSNLISMU-JKSUJKDBSA-N 0 3 326.440 3.099 20 10 EGCDHN COc1cc(Cl)cc(CN2CCC(N(C)CC(F)F)CC2)c1O ZINC000761202052 1301420512 /nfs/dbraw/zinc/42/05/12/1301420512.db2.gz KMCZCMUIJWJVDW-UHFFFAOYSA-N 0 3 348.821 3.216 20 10 EGCDHN CCC1([NH2+]Cc2cc(Br)cc(OC)c2[O-])CCOCC1 ZINC000761337202 1301444587 /nfs/dbraw/zinc/44/45/87/1301444587.db2.gz NCHFQQFVXPPTHJ-UHFFFAOYSA-N 0 3 344.249 3.212 20 10 EGCDHN COC(=O)CCC(C)(C)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000762787216 1301748931 /nfs/dbraw/zinc/74/89/31/1301748931.db2.gz OFOGUCRKCPXRHK-UHFFFAOYSA-N 0 3 344.249 3.285 20 10 EGCDHN CC[C@H]([NH2+]Cc1ccc(N2CCNC2=O)cc1)c1ccc(C)cc1[O-] ZINC000883287588 1302365073 /nfs/dbraw/zinc/36/50/73/1302365073.db2.gz ZBCGBOGLKSWCHW-SFHVURJKSA-N 0 3 339.439 3.471 20 10 EGCDHN CCN(Cc1ccc(OC)c(OC)c1)Cc1c(O)cccc1OC ZINC000768204261 1302853987 /nfs/dbraw/zinc/85/39/87/1302853987.db2.gz VHLMVURGWJESJC-UHFFFAOYSA-N 0 3 331.412 3.440 20 10 EGCDHN COc1cc(CN(C)Cc2ccc3c(c2)OCCO3)c(O)cc1C ZINC000768437828 1302901623 /nfs/dbraw/zinc/90/16/23/1302901623.db2.gz JYHARYAZPVJMEI-UHFFFAOYSA-N 0 3 329.396 3.112 20 10 EGCDHN COc1ccc([C@H]2CCC[N@@H+]2Cc2cc3c(cc2[O-])OC[C@@H]3O)cc1 ZINC000768442006 1302904837 /nfs/dbraw/zinc/90/48/37/1302904837.db2.gz NFADTPHSOIZIFT-MJGOQNOKSA-N 0 3 341.407 3.164 20 10 EGCDHN COc1ccc([C@H]2CCC[N@H+]2Cc2cc3c(cc2[O-])OC[C@@H]3O)cc1 ZINC000768442006 1302904844 /nfs/dbraw/zinc/90/48/44/1302904844.db2.gz NFADTPHSOIZIFT-MJGOQNOKSA-N 0 3 341.407 3.164 20 10 EGCDHN CC[C@H]1c2ccccc2CC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768445738 1302905700 /nfs/dbraw/zinc/90/57/00/1302905700.db2.gz IVCKTCQNFUZTAH-PKOBYXMFSA-N 0 3 325.408 3.327 20 10 EGCDHN CC[C@H]1c2ccccc2CC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768445738 1302905713 /nfs/dbraw/zinc/90/57/13/1302905713.db2.gz IVCKTCQNFUZTAH-PKOBYXMFSA-N 0 3 325.408 3.327 20 10 EGCDHN Cc1ccccc1[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768444626 1302906727 /nfs/dbraw/zinc/90/67/27/1302906727.db2.gz MRCPXIZNDQGPHX-KUHUBIRLSA-N 0 3 325.408 3.116 20 10 EGCDHN Cc1ccccc1[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768444626 1302906731 /nfs/dbraw/zinc/90/67/31/1302906731.db2.gz MRCPXIZNDQGPHX-KUHUBIRLSA-N 0 3 325.408 3.116 20 10 EGCDHN Cc1ccccc1[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768444628 1302908255 /nfs/dbraw/zinc/90/82/55/1302908255.db2.gz MRCPXIZNDQGPHX-LIRRHRJNSA-N 0 3 325.408 3.116 20 10 EGCDHN Cc1ccccc1[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768444628 1302908262 /nfs/dbraw/zinc/90/82/62/1302908262.db2.gz MRCPXIZNDQGPHX-LIRRHRJNSA-N 0 3 325.408 3.116 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](Cc3ccccc3)C1)[C@H](O)CO2 ZINC000768452127 1302909183 /nfs/dbraw/zinc/90/91/83/1302909183.db2.gz OYILXKHRMUUCFB-OXJNMPFZSA-N 0 3 339.435 3.273 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](Cc3ccccc3)C1)[C@H](O)CO2 ZINC000768452127 1302909195 /nfs/dbraw/zinc/90/91/95/1302909195.db2.gz OYILXKHRMUUCFB-OXJNMPFZSA-N 0 3 339.435 3.273 20 10 EGCDHN CCOc1ccc(C[N@@H+]2CCC[C@H](CC(=O)OC(C)C)C2)c([O-])c1 ZINC000768529397 1302926466 /nfs/dbraw/zinc/92/64/66/1302926466.db2.gz MZGFYNXNDCNEEL-OAHLLOKOSA-N 0 3 335.444 3.345 20 10 EGCDHN CCOc1ccc(C[N@H+]2CCC[C@H](CC(=O)OC(C)C)C2)c([O-])c1 ZINC000768529397 1302926471 /nfs/dbraw/zinc/92/64/71/1302926471.db2.gz MZGFYNXNDCNEEL-OAHLLOKOSA-N 0 3 335.444 3.345 20 10 EGCDHN Fc1cc(CN2CCC(OCC3CC3)CC2)ccc1N1CCOCC1 ZINC000769501390 1303129653 /nfs/dbraw/zinc/12/96/53/1303129653.db2.gz HKELHLXGQNDGFN-UHFFFAOYSA-N 0 3 348.462 3.053 20 10 EGCDHN C[C@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC12CCC2 ZINC000771465900 1303409909 /nfs/dbraw/zinc/40/99/09/1303409909.db2.gz YJHHIVOWEAWFNN-KRWDZBQOSA-N 0 3 343.515 3.223 20 10 EGCDHN C[C@H](NCc1ccc(N2CCC(C(N)=O)CC2)cc1)c1ccsc1 ZINC000886746879 1303582148 /nfs/dbraw/zinc/58/21/48/1303582148.db2.gz DZDVIDINEWQMRH-AWEZNQCLSA-N 0 3 343.496 3.301 20 10 EGCDHN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)NCc1ccc(F)cc1 ZINC000774482427 1303815064 /nfs/dbraw/zinc/81/50/64/1303815064.db2.gz KIJRHLHKGYQAIK-LSDHHAIUSA-N 0 3 343.446 3.247 20 10 EGCDHN Cc1ccc(CNC(=O)[C@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000774482781 1303815508 /nfs/dbraw/zinc/81/55/08/1303815508.db2.gz HQKHXXHUWQCQON-IRXDYDNUSA-N 0 3 339.483 3.417 20 10 EGCDHN Cc1ccc(CNC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775832353 1304045112 /nfs/dbraw/zinc/04/51/12/1304045112.db2.gz ZLSKODCXRKWBRE-INIZCTEOSA-N 0 3 325.456 3.028 20 10 EGCDHN C[C@@H](NCC(=O)NCCCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000775831793 1304045557 /nfs/dbraw/zinc/04/55/57/1304045557.db2.gz USOVBHYLHXRHNL-QGZVFWFLSA-N 0 3 339.483 3.152 20 10 EGCDHN CCN(C(=O)CN[C@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000775834314 1304046910 /nfs/dbraw/zinc/04/69/10/1304046910.db2.gz RBQCYKVNTYMXJT-MRXNPFEDSA-N 0 3 325.456 3.456 20 10 EGCDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])[C@H]1OC ZINC000775978934 1304073579 /nfs/dbraw/zinc/07/35/79/1304073579.db2.gz PINRNNSBCVKNJI-MISYRCLQSA-N 0 3 327.424 3.341 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@](C)(O)C2CC2)c1[O-] ZINC000779023280 1304519760 /nfs/dbraw/zinc/51/97/60/1304519760.db2.gz BNVQPIMHIMXZAA-BONVTDFDSA-N 0 3 328.250 3.275 20 10 EGCDHN C[C@@H](NC(=O)c1cc([O-])cs1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000779326597 1304556907 /nfs/dbraw/zinc/55/69/07/1304556907.db2.gz WXPUNEBVIJNXGM-UKRRQHHQSA-N 0 3 330.453 3.094 20 10 EGCDHN C[C@@H](NC(=O)c1cc([O-])cs1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000779326597 1304556911 /nfs/dbraw/zinc/55/69/11/1304556911.db2.gz WXPUNEBVIJNXGM-UKRRQHHQSA-N 0 3 330.453 3.094 20 10 EGCDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000788533387 1305964745 /nfs/dbraw/zinc/96/47/45/1305964745.db2.gz YBCOFSYANGFLGZ-INIZCTEOSA-N 0 3 326.440 3.407 20 10 EGCDHN COCCN1CCC([NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])CC1 ZINC000808681161 1317715641 /nfs/dbraw/zinc/71/56/41/1317715641.db2.gz VUSPNBWPNDKBIY-CYBMUJFWSA-N 0 3 326.868 3.115 20 10 EGCDHN CC1(C)C[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@H]1O ZINC000790936430 1308891333 /nfs/dbraw/zinc/89/13/33/1308891333.db2.gz CDOUGHMVGFUAFN-LJQANCHMSA-N 0 3 327.424 3.174 20 10 EGCDHN CC1(C)C[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@H]1O ZINC000790936430 1308891343 /nfs/dbraw/zinc/89/13/43/1308891343.db2.gz CDOUGHMVGFUAFN-LJQANCHMSA-N 0 3 327.424 3.174 20 10 EGCDHN Cc1nc2ccccc2n1CCNCc1cc(F)c(N(C)C)cc1F ZINC000858091222 1328678984 /nfs/dbraw/zinc/67/89/84/1328678984.db2.gz ZNOPGEJPMJRPDW-UHFFFAOYSA-N 0 3 344.409 3.479 20 10 EGCDHN C[C@@H](NCc1cc(F)c(N(C)C)cc1F)[C@@H](O)c1ccc(F)cc1 ZINC000858138714 1328692939 /nfs/dbraw/zinc/69/29/39/1328692939.db2.gz IYZREXDNNRJIRA-ADLMAVQZSA-N 0 3 338.373 3.382 20 10 EGCDHN CCNc1ccccc1CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000902079152 1317518112 /nfs/dbraw/zinc/51/81/12/1317518112.db2.gz TUBBIECIXAWBGK-UHFFFAOYSA-N 0 3 343.446 3.384 20 10 EGCDHN CNc1ccccc1CNCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000902098504 1317521431 /nfs/dbraw/zinc/52/14/31/1317521431.db2.gz OHAFUVFUXFALIC-UHFFFAOYSA-N 0 3 343.446 3.118 20 10 EGCDHN CCN1CCC[C@H](N[C@H](C)c2ccc(N3CCCCC3)cc2)C1=O ZINC000903393160 1317696175 /nfs/dbraw/zinc/69/61/75/1317696175.db2.gz HWDVSTOFEXBWKN-APWZRJJASA-N 0 3 329.488 3.338 20 10 EGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC(=O)NCc2ccccc2)c1[O-] ZINC000808682169 1317715439 /nfs/dbraw/zinc/71/54/39/1317715439.db2.gz OBASSSNERSDFNQ-CYBMUJFWSA-N 0 3 332.831 3.321 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCc2cccc(C(N)=O)c2)c1[O-] ZINC000808705141 1317718719 /nfs/dbraw/zinc/71/87/19/1317718719.db2.gz AWZAQFUCSBCJGQ-LBPRGKRZSA-N 0 3 332.831 3.346 20 10 EGCDHN COc1cccc(CNCc2cnn(Cc3ccc(F)cc3)c2)c1O ZINC000809740204 1317886508 /nfs/dbraw/zinc/88/65/08/1317886508.db2.gz PDFAJGNCFIZTOQ-UHFFFAOYSA-N 0 3 341.386 3.075 20 10 EGCDHN CC[C@H]([NH2+]CCc1nc(C)n[nH]1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810236064 1317983008 /nfs/dbraw/zinc/98/30/08/1317983008.db2.gz YBHLJKRHAYTAKM-LBPRGKRZSA-N 0 3 328.338 3.121 20 10 EGCDHN C[C@H]([NH2+]CC[C@@H](O)COCc1ccccc1)c1cc(F)ccc1[O-] ZINC000858594247 1328805081 /nfs/dbraw/zinc/80/50/81/1328805081.db2.gz AQVOEDBLFSZDKH-WMLDXEAASA-N 0 3 333.403 3.150 20 10 EGCDHN CC[NH+](CC)CCN(CCOC)Cc1ccc2ccccc2c1[O-] ZINC000816504527 1319169662 /nfs/dbraw/zinc/16/96/62/1319169662.db2.gz QPJOTXHDSCIWRF-UHFFFAOYSA-N 0 3 330.472 3.336 20 10 EGCDHN C[C@@H]1C[C@H](CO)CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000817412575 1319353598 /nfs/dbraw/zinc/35/35/98/1319353598.db2.gz MUNHMCNTHUQXRX-WBVHZDCISA-N 0 3 347.459 3.035 20 10 EGCDHN C[C@@H]([NH2+][C@H]1CCN[C@H](C)C1)c1cc(Br)c(F)cc1[O-] ZINC000817972199 1319481415 /nfs/dbraw/zinc/48/14/15/1319481415.db2.gz VDHABPBGGRXHBW-BBBLOLIVSA-N 0 3 331.229 3.085 20 10 EGCDHN C[C@H]([NH2+]CCCNC1CC1)c1cc(Br)cc(F)c1[O-] ZINC000817984377 1319485352 /nfs/dbraw/zinc/48/53/52/1319485352.db2.gz RMVMDVUWOBRPCJ-VIFPVBQESA-N 0 3 331.229 3.087 20 10 EGCDHN COc1ccc(CN(C)Cc2cc(C)cc(OC)c2O)cc1OC ZINC000915816889 1319541735 /nfs/dbraw/zinc/54/17/35/1319541735.db2.gz AQYQRHWRWUBZGF-UHFFFAOYSA-N 0 3 331.412 3.358 20 10 EGCDHN CCCC(=O)NC1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000917448556 1319812373 /nfs/dbraw/zinc/81/23/73/1319812373.db2.gz BOOWKKWYYRSVJN-UHFFFAOYSA-N 0 3 348.487 3.276 20 10 EGCDHN CCOc1ccc(CNCC(=O)Nc2ccc(C)cc2Cl)c(O)c1 ZINC000822490254 1320087854 /nfs/dbraw/zinc/08/78/54/1320087854.db2.gz RRRMIBLLUOLRKU-UHFFFAOYSA-N 0 3 348.830 3.481 20 10 EGCDHN CCOc1ccc(C[NH2+]CC(=O)Nc2ccc(C)cc2Cl)c([O-])c1 ZINC000822490254 1320087855 /nfs/dbraw/zinc/08/78/55/1320087855.db2.gz RRRMIBLLUOLRKU-UHFFFAOYSA-N 0 3 348.830 3.481 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+](C)C[C@](C)(O)c2ccccc2)c1[O-] ZINC000822516561 1320092025 /nfs/dbraw/zinc/09/20/25/1320092025.db2.gz MNBDECZKTGYJFC-SFHVURJKSA-N 0 3 335.831 3.394 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+](C)C[C@](C)(O)c2ccccc2)c1[O-] ZINC000822516561 1320092027 /nfs/dbraw/zinc/09/20/27/1320092027.db2.gz MNBDECZKTGYJFC-SFHVURJKSA-N 0 3 335.831 3.394 20 10 EGCDHN C[C@@H](NCc1cccc(S(C)(=O)=O)c1)c1ccc(N(C)C)cc1 ZINC000824195308 1320236854 /nfs/dbraw/zinc/23/68/54/1320236854.db2.gz ARNSABRNSUIZBO-CQSZACIVSA-N 0 3 332.469 3.007 20 10 EGCDHN CCOc1ccc(C[NH2+]C[C@H](CC)NC(=O)OC(C)(C)C)c([O-])c1 ZINC000824660570 1320275017 /nfs/dbraw/zinc/27/50/17/1320275017.db2.gz GOHJLMTUSYCVED-AWEZNQCLSA-N 0 3 338.448 3.184 20 10 EGCDHN COc1cc(Br)cc(CN2CC[C@@H](OC)[C@H](C)C2)c1O ZINC000824815031 1320288073 /nfs/dbraw/zinc/28/80/73/1320288073.db2.gz HOOAMHALEKTRIJ-ZWNOBZJWSA-N 0 3 344.249 3.020 20 10 EGCDHN CC[C@@H]([NH2+][C@@H](C)C(=O)NCCc1ccccc1)c1ccccc1[O-] ZINC000825040454 1320305944 /nfs/dbraw/zinc/30/59/44/1320305944.db2.gz KVNYPRCZJVVRHJ-MAUKXSAKSA-N 0 3 326.440 3.180 20 10 EGCDHN CCOc1ccc(C[NH+]2CCC(OCCOC(C)C)CC2)c([O-])c1 ZINC000825207577 1320317843 /nfs/dbraw/zinc/31/78/43/1320317843.db2.gz LSWCDQOPOHQCCE-UHFFFAOYSA-N 0 3 337.460 3.197 20 10 EGCDHN C[N@H+](CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)Cc1ccccc1[O-] ZINC000839516982 1320931971 /nfs/dbraw/zinc/93/19/71/1320931971.db2.gz PAQJFRUWKCNUSH-HNNXBMFYSA-N 0 3 334.460 3.471 20 10 EGCDHN C[N@@H+](CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)Cc1ccccc1[O-] ZINC000839516982 1320931975 /nfs/dbraw/zinc/93/19/75/1320931975.db2.gz PAQJFRUWKCNUSH-HNNXBMFYSA-N 0 3 334.460 3.471 20 10 EGCDHN C[C@@H](Cc1cccc(F)c1)[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000840166327 1321042418 /nfs/dbraw/zinc/04/24/18/1321042418.db2.gz IGGXEEZMPSIZEV-KPZWWZAWSA-N 0 3 331.387 3.020 20 10 EGCDHN C[C@@H](Cc1cccc(F)c1)[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000840166327 1321042422 /nfs/dbraw/zinc/04/24/22/1321042422.db2.gz IGGXEEZMPSIZEV-KPZWWZAWSA-N 0 3 331.387 3.020 20 10 EGCDHN CC[C@@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccncc1 ZINC000840758138 1321142686 /nfs/dbraw/zinc/14/26/86/1321142686.db2.gz NIHHMXQRKVWMGL-GOSISDBHSA-N 0 3 347.409 3.437 20 10 EGCDHN Cc1cc(N(C)C)ccc1CN(Cc1cccc(C(N)=O)c1)C1CC1 ZINC000840950140 1321184793 /nfs/dbraw/zinc/18/47/93/1321184793.db2.gz FNCUDRLHNMYDJW-UHFFFAOYSA-N 0 3 337.467 3.325 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H]2C[C@H](C)O[C@@H]2C)c1[O-] ZINC000840962869 1321188188 /nfs/dbraw/zinc/18/81/88/1321188188.db2.gz GWIVGCFIJHOXMN-TUAOUCFPSA-N 0 3 328.250 3.366 20 10 EGCDHN Cc1cc(Br)c([O-])c(CN2CCCC[C@H]2CC[NH3+])c1 ZINC000843123487 1321473203 /nfs/dbraw/zinc/47/32/03/1321473203.db2.gz KLTWHSINXMHCBZ-ZDUSSCGKSA-N 0 3 327.266 3.166 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)c1[O-] ZINC000843417434 1321514211 /nfs/dbraw/zinc/51/42/11/1321514211.db2.gz UFCQLZLKKHLLDK-SWLSCSKDSA-N 0 3 325.836 3.445 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)c1[O-] ZINC000843417434 1321514216 /nfs/dbraw/zinc/51/42/16/1321514216.db2.gz UFCQLZLKKHLLDK-SWLSCSKDSA-N 0 3 325.836 3.445 20 10 EGCDHN COc1ccc(N(C)CCN(C)Cc2ccc3c(n2)CCC3)cc1 ZINC000846052847 1321765467 /nfs/dbraw/zinc/76/54/67/1321765467.db2.gz TXEZTOZGNFHKIO-UHFFFAOYSA-N 0 3 325.456 3.147 20 10 EGCDHN COc1cc(Br)cc(C[NH2+][C@H](C)COCC2CC2)c1[O-] ZINC000846073671 1321766459 /nfs/dbraw/zinc/76/64/59/1321766459.db2.gz OQHOHYWOFZQQQC-SNVBAGLBSA-N 0 3 344.249 3.068 20 10 EGCDHN Cc1cnc(OC2CCN(Cc3ccc(N(C)C)cc3C)CC2)nc1 ZINC000848925592 1322047055 /nfs/dbraw/zinc/04/70/55/1322047055.db2.gz XSMBMUJOSIKVRM-UHFFFAOYSA-N 0 3 340.471 3.203 20 10 EGCDHN CCOc1ccc(C[NH2+]C[C@@H]2CCN2Cc2ccccc2)c([O-])c1 ZINC000850416362 1322242887 /nfs/dbraw/zinc/24/28/87/1322242887.db2.gz IREWDSLQGZGJLA-SFHVURJKSA-N 0 3 326.440 3.155 20 10 EGCDHN c1cc2n(n1)CCC[C@H]2NCc1ccc(N2CCSCC2)cc1 ZINC000850425750 1322246853 /nfs/dbraw/zinc/24/68/53/1322246853.db2.gz XBCKBNOXGUQVKF-QGZVFWFLSA-N 0 3 328.485 3.061 20 10 EGCDHN COC[C@H](N[C@@H](C)c1cccc(OC)c1O)c1cccc(OC)c1 ZINC000850513617 1322259543 /nfs/dbraw/zinc/25/95/43/1322259543.db2.gz HQDYTRXQBLRMEW-GUYCJALGSA-N 0 3 331.412 3.448 20 10 EGCDHN Cc1ncc([C@H](C)NCc2ccc(N3CCC(O)CC3)cc2)s1 ZINC000850567360 1322269698 /nfs/dbraw/zinc/26/96/98/1322269698.db2.gz AQDACQPOYNIDGI-ZDUSSCGKSA-N 0 3 331.485 3.263 20 10 EGCDHN [O-]c1cccc2c1[C@H]([NH2+]Cc1ccc(N3CCC(O)CC3)cc1)CC2 ZINC000850567466 1322269958 /nfs/dbraw/zinc/26/99/58/1322269958.db2.gz CTDCOTOLFIYYPR-LJQANCHMSA-N 0 3 338.451 3.130 20 10 EGCDHN CCOCc1cc(CN[C@H](c2cnn(C)c2)C(C)C)ccc1OC ZINC000922893029 1322643134 /nfs/dbraw/zinc/64/31/34/1322643134.db2.gz FSHYJPBBHSSJLS-IBGZPJMESA-N 0 3 331.460 3.452 20 10 EGCDHN Cc1cc(CN[C@@H](c2cccnc2)C(C)(C)CO)ccc1N(C)C ZINC000852091645 1323144491 /nfs/dbraw/zinc/14/44/91/1323144491.db2.gz IFHUAHXHQALCFJ-IBGZPJMESA-N 0 3 327.472 3.305 20 10 EGCDHN CCCN(Cc1ccccc1O)C(=O)c1cc2c(s1)CCNC2 ZINC000852800825 1323242910 /nfs/dbraw/zinc/24/29/10/1323242910.db2.gz SNRRQFRDIKUXNO-UHFFFAOYSA-N 0 3 330.453 3.152 20 10 EGCDHN CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1C[N@H+](Cc1ccccc1[O-])C2 ZINC000857069955 1325567457 /nfs/dbraw/zinc/56/74/57/1325567457.db2.gz XTTFFRPMGOIFLI-BEFAXECRSA-N 0 3 332.444 3.271 20 10 EGCDHN CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1[O-])C2 ZINC000857069955 1325567464 /nfs/dbraw/zinc/56/74/64/1325567464.db2.gz XTTFFRPMGOIFLI-BEFAXECRSA-N 0 3 332.444 3.271 20 10 EGCDHN CCCCN1CCN(Cc2cc(Br)cc(C)c2O)CC1 ZINC001233110287 1376570873 /nfs/dbraw/zinc/57/08/73/1376570873.db2.gz JXRUDOUBGBZVCJ-UHFFFAOYSA-N 0 3 341.293 3.381 20 10 EGCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@](C)(CO)CC2)cc1Br ZINC001237676301 1376983487 /nfs/dbraw/zinc/98/34/87/1376983487.db2.gz IAKCONATPUBPJT-INIZCTEOSA-N 0 3 342.277 3.448 20 10 EGCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@](C)(CO)CC2)cc1Br ZINC001237676301 1376983491 /nfs/dbraw/zinc/98/34/91/1376983491.db2.gz IAKCONATPUBPJT-INIZCTEOSA-N 0 3 342.277 3.448 20 10 EGCDHN COCCOc1ncccc1CN[C@@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001325339957 1387941129 /nfs/dbraw/zinc/94/11/29/1387941129.db2.gz MESQAUNSHDYMAJ-GOEBONIOSA-N 0 3 342.439 3.459 20 10 EGCDHN CC(C)(C)OC(=O)N1CC[C@@]12CCC[N@H+](Cc1ccccc1[O-])C2 ZINC001203550084 1370166169 /nfs/dbraw/zinc/16/61/69/1370166169.db2.gz HCXMZAVYFZZGBV-LJQANCHMSA-N 0 3 332.444 3.368 20 10 EGCDHN CC(C)(C)OC(=O)N1CC[C@@]12CCC[N@@H+](Cc1ccccc1[O-])C2 ZINC001203550084 1370166172 /nfs/dbraw/zinc/16/61/72/1370166172.db2.gz HCXMZAVYFZZGBV-LJQANCHMSA-N 0 3 332.444 3.368 20 10 EGCDHN CC(C)(C)OC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1[O-] ZINC001203556246 1370168804 /nfs/dbraw/zinc/16/88/04/1370168804.db2.gz PCVRWVCIKWBWTP-MQVJKMGUSA-N 0 3 332.444 3.412 20 10 EGCDHN CC(C)(C)OC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1[O-] ZINC001203556246 1370168807 /nfs/dbraw/zinc/16/88/07/1370168807.db2.gz PCVRWVCIKWBWTP-MQVJKMGUSA-N 0 3 332.444 3.412 20 10 EGCDHN CCOc1cccc(CN2C[C@@H]3C[C@H]2CN3Cc2ccccc2)c1O ZINC001203609408 1370187073 /nfs/dbraw/zinc/18/70/73/1370187073.db2.gz RBVOIVJWXLBVHG-OALUTQOASA-N 0 3 338.451 3.250 20 10 EGCDHN COc1ccc(C[NH+]2CCC3(CC2)OCCc2ccccc23)c([O-])c1 ZINC001203628995 1370192950 /nfs/dbraw/zinc/19/29/50/1370192950.db2.gz MZFOBEIIJOUZLS-UHFFFAOYSA-N 0 3 339.435 3.465 20 10 EGCDHN C[C@@H]1CN(Cc2ccc(O)c(O)c2)[C@@H](C)CN1Cc1ccccc1 ZINC001203875978 1370297438 /nfs/dbraw/zinc/29/74/38/1370297438.db2.gz ZKFZFNOPHIQCDS-CVEARBPZSA-N 0 3 326.440 3.193 20 10 EGCDHN CCNC(=O)OC1CCN(Cc2ccc(N(CC)CC)cc2)CC1 ZINC001203941619 1370323447 /nfs/dbraw/zinc/32/34/47/1370323447.db2.gz DBBDHIBTEBOESX-UHFFFAOYSA-N 0 3 333.476 3.243 20 10 EGCDHN CN(C)c1ccc(CN2CCN3CC(F)(F)C[C@H]3C2)c2ccccc21 ZINC001204240570 1370418521 /nfs/dbraw/zinc/41/85/21/1370418521.db2.gz YYIVOYBTQFUDMQ-INIZCTEOSA-N 0 3 345.437 3.431 20 10 EGCDHN [O-]c1cc(O)ccc1C[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC001204272513 1370428021 /nfs/dbraw/zinc/42/80/21/1370428021.db2.gz PAQBVTFJTIMZOQ-UHFFFAOYSA-N 0 3 333.815 3.235 20 10 EGCDHN C[N@H+](Cc1ccc(O)cc1[O-])C1CCN(Cc2ccccc2)CC1 ZINC001204277306 1370429145 /nfs/dbraw/zinc/42/91/45/1370429145.db2.gz YOLMLAUQHQQFMV-UHFFFAOYSA-N 0 3 326.440 3.194 20 10 EGCDHN C[N@@H+](Cc1ccc(O)cc1[O-])C1CCN(Cc2ccccc2)CC1 ZINC001204277306 1370429147 /nfs/dbraw/zinc/42/91/47/1370429147.db2.gz YOLMLAUQHQQFMV-UHFFFAOYSA-N 0 3 326.440 3.194 20 10 EGCDHN COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(O)cc2[O-])cc1OC ZINC001204274473 1370429157 /nfs/dbraw/zinc/42/91/57/1370429157.db2.gz BTECDGZZDLAUNE-MRXNPFEDSA-N 0 3 329.396 3.452 20 10 EGCDHN COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(O)cc2[O-])cc1OC ZINC001204274473 1370429159 /nfs/dbraw/zinc/42/91/59/1370429159.db2.gz BTECDGZZDLAUNE-MRXNPFEDSA-N 0 3 329.396 3.452 20 10 EGCDHN [O-]c1cc(O)ccc1C[N@@H+]1C[C@H]2CCC[C@@]2(COc2cccnc2)C1 ZINC001204274092 1370429248 /nfs/dbraw/zinc/42/92/48/1370429248.db2.gz IBNKFYQVKHQRBN-UZLBHIALSA-N 0 3 340.423 3.174 20 10 EGCDHN [O-]c1cc(O)ccc1C[N@H+]1C[C@H]2CCC[C@@]2(COc2cccnc2)C1 ZINC001204274092 1370429251 /nfs/dbraw/zinc/42/92/51/1370429251.db2.gz IBNKFYQVKHQRBN-UZLBHIALSA-N 0 3 340.423 3.174 20 10 EGCDHN COc1ccccc1[C@@H]1CCN(Cc2cc(O)c(O)c(OC)c2)C1 ZINC001204344097 1370448830 /nfs/dbraw/zinc/44/88/30/1370448830.db2.gz UZOXIOHKVCITLZ-CQSZACIVSA-N 0 3 329.396 3.105 20 10 EGCDHN COc1cccc([C@@H]2CCN(Cc3cc(O)c(O)c(OC)c3)C2)c1 ZINC001204348246 1370449745 /nfs/dbraw/zinc/44/97/45/1370449745.db2.gz AKAAHKSZPSMJPX-OAHLLOKOSA-N 0 3 329.396 3.105 20 10 EGCDHN C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@H]1CN(C)C(=O)O1 ZINC001117707037 1371066758 /nfs/dbraw/zinc/06/67/58/1371066758.db2.gz VOFWNNDAJDXSRC-CRAIPNDOSA-N 0 3 340.423 3.406 20 10 EGCDHN C[C@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@H]1CN(C)C(=O)O1 ZINC001117707037 1371066764 /nfs/dbraw/zinc/06/67/64/1371066764.db2.gz VOFWNNDAJDXSRC-CRAIPNDOSA-N 0 3 340.423 3.406 20 10 EGCDHN C[C@H](c1ccccc1)N(Cc1ccccc1O)C[C@H]1CN(C)C(=O)O1 ZINC001117707037 1371066769 /nfs/dbraw/zinc/06/67/69/1371066769.db2.gz VOFWNNDAJDXSRC-CRAIPNDOSA-N 0 3 340.423 3.406 20 10 EGCDHN C[N@H+](Cc1ccccc1[O-])CC12CC(NC(=O)OC(C)(C)C)(C1)C2 ZINC001207266325 1371344883 /nfs/dbraw/zinc/34/48/83/1371344883.db2.gz DYLHLUDSJFCLDM-UHFFFAOYSA-N 0 3 332.444 3.271 20 10 EGCDHN C[N@@H+](Cc1ccccc1[O-])CC12CC(NC(=O)OC(C)(C)C)(C1)C2 ZINC001207266325 1371344889 /nfs/dbraw/zinc/34/48/89/1371344889.db2.gz DYLHLUDSJFCLDM-UHFFFAOYSA-N 0 3 332.444 3.271 20 10 EGCDHN COc1cc([O-])c(CN2CC[NH2+]C[C@@H]2c2ccccc2)c(Cl)c1 ZINC001210226071 1372298548 /nfs/dbraw/zinc/29/85/48/1372298548.db2.gz AYKIKAJJNSOFDK-QGZVFWFLSA-N 0 3 332.831 3.201 20 10 EGCDHN C[C@H](CN1CCOCC1)OC1=CC(=O)C=CC1=N[N-]c1cccc[nH+]1 ZINC001227490269 1375437778 /nfs/dbraw/zinc/43/77/78/1375437778.db2.gz UEKONFXPAUBUKB-YYZBOFOMSA-N 0 3 342.399 3.302 20 10 EGCDHN COc1cc(Cl)cc(C[NH+]2CCC3(CCCOC3)CC2)c1[O-] ZINC001233290462 1376605792 /nfs/dbraw/zinc/60/57/92/1376605792.db2.gz DFVBERSDTFUKPJ-UHFFFAOYSA-N 0 3 325.836 3.447 20 10 EGCDHN CN(Cc1cccc(Br)c1)Cc1cc(O)c(O)cc1O ZINC001233483269 1376653539 /nfs/dbraw/zinc/65/35/39/1376653539.db2.gz SWROLRYTSLCTIW-UHFFFAOYSA-N 0 3 338.201 3.198 20 10 EGCDHN C[C@H]1C[C@H]2C[N@H+](Cc3cccc(OC(F)(F)F)c3[O-])CC[C@H]2O1 ZINC001233737079 1376706556 /nfs/dbraw/zinc/70/65/56/1376706556.db2.gz VQACEEADIMBRJS-WCFLWFBJSA-N 0 3 331.334 3.290 20 10 EGCDHN C[C@H]1C[C@H]2C[N@@H+](Cc3cccc(OC(F)(F)F)c3[O-])CC[C@H]2O1 ZINC001233737079 1376706559 /nfs/dbraw/zinc/70/65/59/1376706559.db2.gz VQACEEADIMBRJS-WCFLWFBJSA-N 0 3 331.334 3.290 20 10 EGCDHN CC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237058745 1376973529 /nfs/dbraw/zinc/97/35/29/1376973529.db2.gz JTTQEDHECHOLQH-GFCCVEGCSA-N 0 3 331.334 3.134 20 10 EGCDHN CC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237058745 1376973533 /nfs/dbraw/zinc/97/35/33/1376973533.db2.gz JTTQEDHECHOLQH-GFCCVEGCSA-N 0 3 331.334 3.134 20 10 EGCDHN Oc1cc(OCC(F)(F)F)ccc1CN1CC(N2CCCCC2)C1 ZINC001237060774 1376973659 /nfs/dbraw/zinc/97/36/59/1376973659.db2.gz YESSHRXUHFBKKR-UHFFFAOYSA-N 0 3 344.377 3.003 20 10 EGCDHN COc1cc(CN2CCC(Oc3ccccc3)CC2)c(O)c(OC)c1 ZINC001237674965 1376983295 /nfs/dbraw/zinc/98/32/95/1376983295.db2.gz OKIGAJBGANXTHE-UHFFFAOYSA-N 0 3 343.423 3.453 20 10 EGCDHN Oc1cc2c(cc1O)CN(Cc1ccc(-n3cccn3)cc1)CCC2 ZINC001137760432 1377611858 /nfs/dbraw/zinc/61/18/58/1377611858.db2.gz PRBJKLQIJGCTRY-UHFFFAOYSA-N 0 3 335.407 3.232 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC[C@H](C(=O)OC)[C@H]2C)c(OC)c1 ZINC001138390252 1377714254 /nfs/dbraw/zinc/71/42/54/1377714254.db2.gz QSBYVIBETGASDN-QAPCUYQASA-N 0 3 348.487 3.315 20 10 EGCDHN COc1cccnc1O[C@@H]1CCN(Cc2ccc(N(C)C)c(C)c2)C1 ZINC001139674015 1377931232 /nfs/dbraw/zinc/93/12/32/1377931232.db2.gz KPCDFVHHVLSFDE-QGZVFWFLSA-N 0 3 341.455 3.118 20 10 EGCDHN CC(C)N(C)Cc1cnc2n1CCN(Cc1cc(F)ccc1O)[C@H]2C ZINC001140054057 1377996890 /nfs/dbraw/zinc/99/68/90/1377996890.db2.gz IOVCYNACFNHWEJ-AWEZNQCLSA-N 0 3 346.450 3.145 20 10 EGCDHN CC(C)(C)OC(=O)N[C@@H]1CCCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140057635 1377997912 /nfs/dbraw/zinc/99/79/12/1377997912.db2.gz INZDYEMRQQBNHY-OAHLLOKOSA-N 0 3 338.423 3.411 20 10 EGCDHN CC(C)(C)OC(=O)N[C@@H]1CCCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140057635 1377997915 /nfs/dbraw/zinc/99/79/15/1377997915.db2.gz INZDYEMRQQBNHY-OAHLLOKOSA-N 0 3 338.423 3.411 20 10 EGCDHN COc1ccccc1[C@H](O)C[N@H+](Cc1cc(F)ccc1[O-])C(C)C ZINC001140058919 1377998246 /nfs/dbraw/zinc/99/82/46/1377998246.db2.gz OSPABMIVSZBVRB-GOSISDBHSA-N 0 3 333.403 3.484 20 10 EGCDHN COc1ccccc1[C@H](O)C[N@@H+](Cc1cc(F)ccc1[O-])C(C)C ZINC001140058919 1377998247 /nfs/dbraw/zinc/99/82/47/1377998247.db2.gz OSPABMIVSZBVRB-GOSISDBHSA-N 0 3 333.403 3.484 20 10 EGCDHN COc1cc([O-])c(C[N@@H+]2CC[C@H](Oc3ccccc3C)C2)c(OC)c1 ZINC001141028668 1378212023 /nfs/dbraw/zinc/21/20/23/1378212023.db2.gz ZHDSFSGYHCUZKF-HNNXBMFYSA-N 0 3 343.423 3.371 20 10 EGCDHN COc1cc([O-])c(C[N@H+]2CC[C@H](Oc3ccccc3C)C2)c(OC)c1 ZINC001141028668 1378212034 /nfs/dbraw/zinc/21/20/34/1378212034.db2.gz ZHDSFSGYHCUZKF-HNNXBMFYSA-N 0 3 343.423 3.371 20 10 EGCDHN COc1cc(O)c(CN2CCC[C@@H]2c2ccc(C)nc2)c(OC)c1 ZINC001141029119 1378213379 /nfs/dbraw/zinc/21/33/79/1378213379.db2.gz JESPNNAXZIYBTO-QGZVFWFLSA-N 0 3 328.412 3.450 20 10 EGCDHN COc1cc([O-])c(C[N@H+](C)[C@@H](C)Cc2ccccc2OC)c(OC)c1 ZINC001141031176 1378214718 /nfs/dbraw/zinc/21/47/18/1378214718.db2.gz YQDONIVPVNLRHX-AWEZNQCLSA-N 0 3 345.439 3.481 20 10 EGCDHN COc1cc([O-])c(C[N@@H+](C)[C@@H](C)Cc2ccccc2OC)c(OC)c1 ZINC001141031176 1378214726 /nfs/dbraw/zinc/21/47/26/1378214726.db2.gz YQDONIVPVNLRHX-AWEZNQCLSA-N 0 3 345.439 3.481 20 10 EGCDHN Cc1nc(NCc2ccc(N3CCN(C)CC3)cc2)cc(C(C)C)n1 ZINC001156650696 1380604264 /nfs/dbraw/zinc/60/42/64/1380604264.db2.gz CGKMBYQPDVJPSJ-UHFFFAOYSA-N 0 3 339.487 3.272 20 10 EGCDHN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@@H](N)CC1CCC1 ZINC001157435828 1380892535 /nfs/dbraw/zinc/89/25/35/1380892535.db2.gz WYPXQRQMVCBVKA-YJBOKZPZSA-N 0 3 330.472 3.266 20 10 EGCDHN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2Nc1ncc2c(n1)CCNC2 ZINC001163486632 1383062860 /nfs/dbraw/zinc/06/28/60/1383062860.db2.gz KUYRHLCQDYJAQS-SFHVURJKSA-N 0 3 338.455 3.180 20 10 EGCDHN Cc1cc(NCc2ccc(N3CCN(C)CC3)cc2)ccc1N(C)C ZINC001167436932 1383633650 /nfs/dbraw/zinc/63/36/50/1383633650.db2.gz HRDYJYWFXSXIDA-UHFFFAOYSA-N 0 3 338.499 3.425 20 10 EGCDHN C[C@@H](CCN(C)C(=O)OC(C)(C)C)[N@@H+]1CCc2cccc([O-])c2C1 ZINC001172973303 1384893314 /nfs/dbraw/zinc/89/33/14/1384893314.db2.gz ZPWYWFSODJETKI-AWEZNQCLSA-N 0 3 334.460 3.396 20 10 EGCDHN C[C@@H](CCN(C)C(=O)OC(C)(C)C)[N@H+]1CCc2cccc([O-])c2C1 ZINC001172973303 1384893315 /nfs/dbraw/zinc/89/33/15/1384893315.db2.gz ZPWYWFSODJETKI-AWEZNQCLSA-N 0 3 334.460 3.396 20 10 EGCDHN C[C@H]([NH2+]C1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccccc1[O-] ZINC001172995482 1384895884 /nfs/dbraw/zinc/89/58/84/1384895884.db2.gz NVUMSRXPOULSDV-AWEZNQCLSA-N 0 3 342.414 3.487 20 10 EGCDHN C[C@H](NCc1cc(F)c(N(C)C)cc1F)[C@@H](O)c1cccc(F)c1 ZINC001331272694 1389680103 /nfs/dbraw/zinc/68/01/03/1389680103.db2.gz UGOSTYNSRFZDST-BBATYDOGSA-N 0 3 338.373 3.382 20 10 EGCDHN CN1CCN(c2ccc(CN3CC(C)(C)[C@@H]3C3CC3)cc2F)CC1 ZINC001343552192 1390722234 /nfs/dbraw/zinc/72/22/34/1390722234.db2.gz LCUFYLVVFGDSJN-IBGZPJMESA-N 0 3 331.479 3.198 20 10 EGCDHN [O-]c1ccc2ccncc2c1C[NH+]1CCN(Cc2ccsc2)CC1 ZINC000021998144 212268889 /nfs/dbraw/zinc/26/88/89/212268889.db2.gz YHDDRYZFEQIHKK-UHFFFAOYSA-N 0 3 339.464 3.320 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC(Cn3cncn3)CC2)cc1 ZINC000189980668 455265141 /nfs/dbraw/zinc/26/51/41/455265141.db2.gz CZAKBLPDJFWDHB-UHFFFAOYSA-N 0 3 327.476 3.037 20 10 EGCDHN C[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1cc(Br)ccc1[O-] ZINC000181011547 455275844 /nfs/dbraw/zinc/27/58/44/455275844.db2.gz HQFCAKJBSMNJOG-VXGBXAGGSA-N 0 3 339.277 3.290 20 10 EGCDHN FC(F)(F)c1cc(N2CCOCC2)ccc1CNCc1cc[nH]c1 ZINC000086251213 454045698 /nfs/dbraw/zinc/04/56/98/454045698.db2.gz OOCVCVICXHRKNT-UHFFFAOYSA-N 0 3 339.361 3.160 20 10 EGCDHN C[C@@H](NCCNC(=O)c1ccco1)c1ccc(N2CCCCC2)cc1 ZINC000120320235 454286430 /nfs/dbraw/zinc/28/64/30/454286430.db2.gz DYNHIBWYIKYKHH-MRXNPFEDSA-N 0 3 341.455 3.351 20 10 EGCDHN [O-]c1ccccc1C[N@@H+](Cc1ccc2c[nH]nc2c1)C[C@H]1CCCO1 ZINC000160175182 455435128 /nfs/dbraw/zinc/43/51/28/455435128.db2.gz MYAXQOMNVHCYLQ-GOSISDBHSA-N 0 3 337.423 3.450 20 10 EGCDHN [O-]c1ccccc1C[N@H+](Cc1ccc2c[nH]nc2c1)C[C@H]1CCCO1 ZINC000160175182 455435132 /nfs/dbraw/zinc/43/51/32/455435132.db2.gz MYAXQOMNVHCYLQ-GOSISDBHSA-N 0 3 337.423 3.450 20 10 EGCDHN CN(C)CCSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 ZINC000073324479 454421525 /nfs/dbraw/zinc/42/15/25/454421525.db2.gz RXVPRJQOYOMWQY-INIZCTEOSA-N 0 3 331.485 3.383 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC(c3nncn3C)CC2)cc1 ZINC000091795734 454473108 /nfs/dbraw/zinc/47/31/08/454473108.db2.gz PWQCJLRXRLVCIF-UHFFFAOYSA-N 0 3 327.476 3.041 20 10 EGCDHN CCN1CCN(c2ccc(CN[C@H](C)c3cccnc3)cc2F)CC1 ZINC000092747358 454625624 /nfs/dbraw/zinc/62/56/24/454625624.db2.gz SWZCZNXJYRSSNK-MRXNPFEDSA-N 0 3 342.462 3.213 20 10 EGCDHN CCCOc1ccc(C[NH+]2CCC(c3ccnn3C)CC2)c([O-])c1 ZINC000092810503 454638676 /nfs/dbraw/zinc/63/86/76/454638676.db2.gz VXHOLVUHRCJISY-UHFFFAOYSA-N 0 3 329.444 3.294 20 10 EGCDHN CN(C)c1ccc(CN2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000154851544 454936220 /nfs/dbraw/zinc/93/62/20/454936220.db2.gz GGIYPMCVDUHGLK-UHFFFAOYSA-N 0 3 333.476 3.242 20 10 EGCDHN C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1cncc(F)c1 ZINC000151585620 455004759 /nfs/dbraw/zinc/00/47/59/455004759.db2.gz MSJNBOFXZBOBAK-HNNXBMFYSA-N 0 3 343.446 3.280 20 10 EGCDHN Cn1cccc1[C@H]1CCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000179706482 455068719 /nfs/dbraw/zinc/06/87/19/455068719.db2.gz SUYDZBAXJCEIST-HXUWFJFHSA-N 0 3 325.456 3.199 20 10 EGCDHN CC[C@@H]([NH2+]CC(=O)N(CC)Cc1ccccc1)c1ccccc1[O-] ZINC000183330611 455278715 /nfs/dbraw/zinc/27/87/15/455278715.db2.gz DYFKMWLUDAOFPL-GOSISDBHSA-N 0 3 326.440 3.482 20 10 EGCDHN CCN1CCN(c2cccc(NCc3cc(F)ccc3O)c2)CC1 ZINC000184571798 455405639 /nfs/dbraw/zinc/40/56/39/455405639.db2.gz NYMPRTAWMRFJIQ-UHFFFAOYSA-N 0 3 329.419 3.285 20 10 EGCDHN COc1cccc(C[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)c1[O-] ZINC000184786508 455447940 /nfs/dbraw/zinc/44/79/40/455447940.db2.gz GMNUNYNTDDNKGO-SFHVURJKSA-N 0 3 327.424 3.174 20 10 EGCDHN COc1cccc(C[N@@H+](Cc2ccccc2)[C@@H](CO)C2CC2)c1[O-] ZINC000184786508 455447944 /nfs/dbraw/zinc/44/79/44/455447944.db2.gz GMNUNYNTDDNKGO-SFHVURJKSA-N 0 3 327.424 3.174 20 10 EGCDHN COc1ccc(O)c([C@@H](C)NCc2cnn(Cc3ccccc3)c2)c1 ZINC000182405377 455506944 /nfs/dbraw/zinc/50/69/44/455506944.db2.gz GUDDLIGKEGMUQX-OAHLLOKOSA-N 0 3 337.423 3.496 20 10 EGCDHN COc1cc([O-])c(C[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)cc1OC ZINC000192037210 455546393 /nfs/dbraw/zinc/54/63/93/455546393.db2.gz GQQVFRGYLZCMCW-YWZLYKJASA-N 0 3 343.423 3.277 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]CCNC(=O)c2ccccc2Cl)c([O-])c1 ZINC000185446608 455558864 /nfs/dbraw/zinc/55/88/64/455558864.db2.gz PADIVFVZSASWCJ-CYBMUJFWSA-N 0 3 332.831 3.435 20 10 EGCDHN CCOc1cccc(C[NH2+]C2CCC(O)(c3cccnc3)CC2)c1[O-] ZINC000185705772 455601009 /nfs/dbraw/zinc/60/10/09/455601009.db2.gz JKRMDHUUAPSYPJ-UHFFFAOYSA-N 0 3 342.439 3.106 20 10 EGCDHN CCOCc1cc(CNC[C@@H](O)c2ccc(F)cc2)ccc1OC ZINC000277645104 455622880 /nfs/dbraw/zinc/62/28/80/455622880.db2.gz DWTCCWBCTNPTLJ-GOSISDBHSA-N 0 3 333.403 3.194 20 10 EGCDHN C[C@@H](NCc1ccc2c(c1)CCCN2C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284096008 455635213 /nfs/dbraw/zinc/63/52/13/455635213.db2.gz MOGJKUSCCFCXDQ-CYBMUJFWSA-N 0 3 340.427 3.410 20 10 EGCDHN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284233974 455655617 /nfs/dbraw/zinc/65/56/17/455655617.db2.gz UTNOIEWKMQNMAK-LLVKDONJSA-N 0 3 332.379 3.233 20 10 EGCDHN Cc1ccncc1[C@H](C)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000271493378 455659067 /nfs/dbraw/zinc/65/90/67/455659067.db2.gz UWKIGMVNLMTNQK-HNNXBMFYSA-N 0 3 343.446 3.341 20 10 EGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCCNC(=O)c2ccc(F)cc2)c1 ZINC000186013439 455674789 /nfs/dbraw/zinc/67/47/89/455674789.db2.gz BHNCAUSHRMZBTE-CQSZACIVSA-N 0 3 330.403 3.310 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCCNC(=O)c2ccc(F)cc2)c1 ZINC000186013563 455674894 /nfs/dbraw/zinc/67/48/94/455674894.db2.gz FBVUMOSWQSRPTM-CYBMUJFWSA-N 0 3 346.402 3.011 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCNc2cc(OC)cc(OC)c2)c1 ZINC000186154887 455704606 /nfs/dbraw/zinc/70/46/06/455704606.db2.gz UZWXRDANAGUIEV-ZDUSSCGKSA-N 0 3 346.427 3.181 20 10 EGCDHN COCCOCC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000293273770 455780672 /nfs/dbraw/zinc/78/06/72/455780672.db2.gz CMTWZSYTCYYEMJ-LJQANCHMSA-N 0 3 329.440 3.319 20 10 EGCDHN COCC1(C[NH2+][C@@H](C)c2cc3c(cc2[O-])CCCC3)CCOCC1 ZINC000293772588 455797561 /nfs/dbraw/zinc/79/75/61/455797561.db2.gz SSIQUUHIRGTYMW-HNNXBMFYSA-N 0 3 333.472 3.365 20 10 EGCDHN COc1ccc(O)c(CN2CCC[C@H](c3noc(C4CC4)n3)C2)c1 ZINC000271893203 455798145 /nfs/dbraw/zinc/79/81/45/455798145.db2.gz XPSLUTVDBXDZPH-ZDUSSCGKSA-N 0 3 329.400 3.041 20 10 EGCDHN COC[C@@H](O)CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000294789929 455828051 /nfs/dbraw/zinc/82/80/51/455828051.db2.gz OFLDTFORBRXWNC-HKUYNNGSSA-N 0 3 329.440 3.053 20 10 EGCDHN Cc1cc(C)c([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)c([O-])c1 ZINC000285374732 455832345 /nfs/dbraw/zinc/83/23/45/455832345.db2.gz WCTGFGXWRXNQHZ-WDSOQIARSA-N 0 3 346.515 3.428 20 10 EGCDHN COCCSCCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000278533234 455839148 /nfs/dbraw/zinc/83/91/48/455839148.db2.gz QUKFJDPBQKZAQN-KRWDZBQOSA-N 0 3 339.501 3.143 20 10 EGCDHN COCCSCCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000278533234 455839152 /nfs/dbraw/zinc/83/91/52/455839152.db2.gz QUKFJDPBQKZAQN-KRWDZBQOSA-N 0 3 339.501 3.143 20 10 EGCDHN CCOCc1cc(CNC[C@H](O)Cc2cccc(F)c2)ccc1OC ZINC000295163812 455841404 /nfs/dbraw/zinc/84/14/04/455841404.db2.gz SORCNBMHQCACAZ-LJQANCHMSA-N 0 3 347.430 3.064 20 10 EGCDHN COC[C@@H](CNCc1ccc(N(C)Cc2cccs2)cc1)OC ZINC000295402779 455847859 /nfs/dbraw/zinc/84/78/59/455847859.db2.gz MJDYYNBPZWNEPF-QGZVFWFLSA-N 0 3 334.485 3.136 20 10 EGCDHN CC[C@H]([NH2+][C@H]1CCCN(c2ccnn2C)C1)c1ccc(C)cc1[O-] ZINC000279923780 455877760 /nfs/dbraw/zinc/87/77/60/455877760.db2.gz AJISWWBKMKMVIP-RDJZCZTQSA-N 0 3 328.460 3.144 20 10 EGCDHN CC[C@H]([NH2+]C[C@@H](C(C)C)N1CCN(C)CC1)c1ccc(C)cc1[O-] ZINC000279925986 455877832 /nfs/dbraw/zinc/87/78/32/455877832.db2.gz AKBRBWJVNIGBGE-OALUTQOASA-N 0 3 333.520 3.013 20 10 EGCDHN Cc1ccc([O-])c(C[NH2+][C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000270682993 456013452 /nfs/dbraw/zinc/01/34/52/456013452.db2.gz TXZKHRGFLHYSLC-QFBILLFUSA-N 0 3 346.377 3.040 20 10 EGCDHN Cc1ccc([O-])c(C[NH2+][C@H]2CC(=O)N(C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000270682992 456014081 /nfs/dbraw/zinc/01/40/81/456014081.db2.gz TXZKHRGFLHYSLC-LPHOPBHVSA-N 0 3 346.377 3.040 20 10 EGCDHN COc1cc(Cl)cc(C[NH+]2CCC([C@@H]3CCCO3)CC2)c1[O-] ZINC000188262037 456031535 /nfs/dbraw/zinc/03/15/35/456031535.db2.gz BJUDDQZVBPYOLU-HNNXBMFYSA-N 0 3 325.836 3.445 20 10 EGCDHN COCC[C@@H](NCc1cc(OC)c(OC)cc1O)c1ccc(C)o1 ZINC000272666262 456032714 /nfs/dbraw/zinc/03/27/14/456032714.db2.gz SGHUAQKEGFSACV-CQSZACIVSA-N 0 3 335.400 3.178 20 10 EGCDHN CCOc1cccc(CN(CCCOC)Cc2ccncc2)c1O ZINC000289188135 456117273 /nfs/dbraw/zinc/11/72/73/456117273.db2.gz BFSUVSJFYJHABN-UHFFFAOYSA-N 0 3 330.428 3.225 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+]C[C@H]2CCOC[C@H]2C)c1[O-] ZINC000289186304 456117652 /nfs/dbraw/zinc/11/76/52/456117652.db2.gz AOYPJTNGXFZGMZ-VXGBXAGGSA-N 0 3 328.250 3.225 20 10 EGCDHN CCCOc1ccc(C[N@H+]2CC=C(c3ccnn3C)CC2)c([O-])c1 ZINC000289371816 456123077 /nfs/dbraw/zinc/12/30/77/456123077.db2.gz LMULZURHDMDWJR-UHFFFAOYSA-N 0 3 327.428 3.204 20 10 EGCDHN CCCOc1ccc(C[N@@H+]2CC=C(c3ccnn3C)CC2)c([O-])c1 ZINC000289371816 456123084 /nfs/dbraw/zinc/12/30/84/456123084.db2.gz LMULZURHDMDWJR-UHFFFAOYSA-N 0 3 327.428 3.204 20 10 EGCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)cc1OC ZINC000281225497 456170456 /nfs/dbraw/zinc/17/04/56/456170456.db2.gz KRMXZTQXKFELBO-XLNGHYISSA-N 0 3 349.471 3.171 20 10 EGCDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)cc1OC ZINC000281225497 456170461 /nfs/dbraw/zinc/17/04/61/456170461.db2.gz KRMXZTQXKFELBO-XLNGHYISSA-N 0 3 349.471 3.171 20 10 EGCDHN COC[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000273431852 456230203 /nfs/dbraw/zinc/23/02/03/456230203.db2.gz DOKANWRKYDHTRO-QGZVFWFLSA-N 0 3 327.424 3.440 20 10 EGCDHN COC[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000273431852 456230207 /nfs/dbraw/zinc/23/02/07/456230207.db2.gz DOKANWRKYDHTRO-QGZVFWFLSA-N 0 3 327.424 3.440 20 10 EGCDHN CC[C@H](N[C@H]1COc2ccccc2[C@H]1O)c1ccc(N(C)C)cc1 ZINC000290295897 456282187 /nfs/dbraw/zinc/28/21/87/456282187.db2.gz NFVQQKUJCPMNBE-CMKODMSKSA-N 0 3 326.440 3.288 20 10 EGCDHN CC[C@H](N[C@H]1COc2ccccc2[C@@H]1O)c1ccc(N(C)C)cc1 ZINC000290295893 456282584 /nfs/dbraw/zinc/28/25/84/456282584.db2.gz NFVQQKUJCPMNBE-BJLQDIEVSA-N 0 3 326.440 3.288 20 10 EGCDHN CCNC(=O)C1(C[NH2+][C@H](C)c2cc3c(cc2[O-])CCCC3)CCC1 ZINC000276824644 456591396 /nfs/dbraw/zinc/59/13/96/456591396.db2.gz AXJYTCDEPXERIY-CQSZACIVSA-N 0 3 330.472 3.228 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)c1[O-] ZINC000291626365 456699790 /nfs/dbraw/zinc/69/97/90/456699790.db2.gz RYUYNCIDZZWKML-LPHOPBHVSA-N 0 3 347.842 3.310 20 10 EGCDHN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](C)CN1CCCCC1 ZINC000349430198 456967657 /nfs/dbraw/zinc/96/76/57/456967657.db2.gz RFFULMBYNOGZQP-OAHLLOKOSA-N 0 3 342.487 3.160 20 10 EGCDHN Cc1cccc(CC2(O)CC[NH+](Cc3cc(F)ccc3[O-])CC2)c1 ZINC000369713566 458324993 /nfs/dbraw/zinc/32/49/93/458324993.db2.gz CPZPOOQBRPXKHP-UHFFFAOYSA-N 0 3 329.415 3.409 20 10 EGCDHN C[C@@H](N[C@@H]1Cc2ccccc2NC1=O)c1cc2c(cc1O)CCCC2 ZINC000527999402 459791280 /nfs/dbraw/zinc/79/12/80/459791280.db2.gz KYRRIUASGMGPQV-BFUOFWGJSA-N 0 3 336.435 3.485 20 10 EGCDHN C[C@H](NC[C@@H](O)c1cnn(C)c1)c1ccc(N2CCCCCC2)cc1 ZINC000268904103 547340168 /nfs/dbraw/zinc/34/01/68/547340168.db2.gz PGLHCCZYLZKNJH-OXJNMPFZSA-N 0 3 342.487 3.185 20 10 EGCDHN CCCN(CC(=O)NCc1ccc(C)c(F)c1)Cc1ccccc1O ZINC000727830569 574692961 /nfs/dbraw/zinc/69/29/61/574692961.db2.gz CNKRTCBQZBNCET-UHFFFAOYSA-N 0 3 344.430 3.368 20 10 EGCDHN Cc1ccc([O-])c(C[NH2+][C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000741257813 576669309 /nfs/dbraw/zinc/66/93/09/576669309.db2.gz ZJPONUNUKLBDSF-DYESRHJHSA-N 0 3 340.467 3.080 20 10 EGCDHN Cc1cc(O)c(CNCC(=O)Nc2cccc3cccnc32)cc1C ZINC000742368298 576774237 /nfs/dbraw/zinc/77/42/37/576774237.db2.gz BXGSWCYWLJNVKO-UHFFFAOYSA-N 0 3 335.407 3.286 20 10 EGCDHN CC[C@H](C[C@@H](C)CO)[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000743498750 576810525 /nfs/dbraw/zinc/81/05/25/576810525.db2.gz FGULZCNYDVRVOV-ZWNOBZJWSA-N 0 3 346.265 3.050 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]C[C@H](O)[C@@H](C)c2ccccc2)c1[O-] ZINC000827734489 1292362099 /nfs/dbraw/zinc/36/20/99/1292362099.db2.gz YOXVXCWJJMFGGE-LRDDRELGSA-N 0 3 335.831 3.308 20 10 EGCDHN C[C@@H](N[C@H]1CC(=O)N(C2CC2)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000090181693 1292790160 /nfs/dbraw/zinc/79/01/60/1292790160.db2.gz ZPMYBDOPRMTARL-ZBFHGGJFSA-N 0 3 345.462 3.230 20 10 EGCDHN O=C1C[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CN1[C@H]1C[C@@H]1c1ccccc1 ZINC000834672778 1293131388 /nfs/dbraw/zinc/13/13/88/1293131388.db2.gz JITFFSKUEIMGEQ-MANSERQUSA-N 0 3 348.446 3.126 20 10 EGCDHN C[C@H]1C[C@H]([NH2+]Cc2cccc(S(C)(=O)=O)c2)c2c1c(F)ccc2[O-] ZINC000834883409 1293163843 /nfs/dbraw/zinc/16/38/43/1293163843.db2.gz KZNSOUGKRKEQEL-NHYWBVRUSA-N 0 3 349.427 3.273 20 10 EGCDHN CCN(CC)c1ccc(CNC(=O)C[C@H](N)c2ccccc2)cc1F ZINC000119658625 1293282114 /nfs/dbraw/zinc/28/21/14/1293282114.db2.gz FJDPCNLDEWYCLD-SFHVURJKSA-N 0 3 343.446 3.378 20 10 EGCDHN Cc1cc(N(C)C)ccc1CN[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000122801278 1293425337 /nfs/dbraw/zinc/42/53/37/1293425337.db2.gz JGGMAWZVKDOURF-HNNXBMFYSA-N 0 3 346.496 3.315 20 10 EGCDHN CCO[C@H]1CCCN(Cc2cc(Br)cc(C)c2O)C1 ZINC000124496372 1293476909 /nfs/dbraw/zinc/47/69/09/1293476909.db2.gz BQKMFNWEEIWGJP-AWEZNQCLSA-N 0 3 328.250 3.464 20 10 EGCDHN Cc1cc(N(C)C)ccc1CNC(=O)c1cccc(CN(C)C)c1 ZINC000156545668 1294148099 /nfs/dbraw/zinc/14/80/99/1294148099.db2.gz CKELOMASVJFQGF-UHFFFAOYSA-N 0 3 325.456 3.053 20 10 EGCDHN CC[C@H]([NH2+]CCNC(=O)c1c(F)cccc1F)c1ccccc1[O-] ZINC000156550662 1294148532 /nfs/dbraw/zinc/14/85/32/1294148532.db2.gz ANPJONUGBYVFON-HNNXBMFYSA-N 0 3 334.366 3.141 20 10 EGCDHN Cc1c([C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cnn1C ZINC000177958795 1294705410 /nfs/dbraw/zinc/70/54/10/1294705410.db2.gz HFWWRAMNHBGJPS-UONOGXRCSA-N 0 3 346.450 3.116 20 10 EGCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N(C)CC2CCCCC2)c1 ZINC000182347573 1295039326 /nfs/dbraw/zinc/03/93/26/1295039326.db2.gz BXYSMHBYZMCIJU-CQSZACIVSA-N 0 3 334.460 3.090 20 10 EGCDHN C[C@]1(O)CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000183090905 1295098540 /nfs/dbraw/zinc/09/85/40/1295098540.db2.gz SIWZKTWXCRMNME-FQEVSTJZSA-N 0 3 327.424 3.318 20 10 EGCDHN C[C@]1(O)CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000183090905 1295098550 /nfs/dbraw/zinc/09/85/50/1295098550.db2.gz SIWZKTWXCRMNME-FQEVSTJZSA-N 0 3 327.424 3.318 20 10 EGCDHN C[C@@H](CN1CCN(c2ccccc2)CC1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183529270 1295129182 /nfs/dbraw/zinc/12/91/82/1295129182.db2.gz HVMZFINLKUAYAJ-ROUUACIJSA-N 0 3 339.483 3.254 20 10 EGCDHN C[C@@H](Nc1ccc(N2CCN(C)CC2)cc1)c1ccc(F)cc1O ZINC000186401290 1295324122 /nfs/dbraw/zinc/32/41/22/1295324122.db2.gz TWBSIYTYRKDPOZ-CQSZACIVSA-N 0 3 329.419 3.456 20 10 EGCDHN C[C@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1cc(F)ccc1[O-] ZINC000186526591 1295332730 /nfs/dbraw/zinc/33/27/30/1295332730.db2.gz JVGRCXCQCJSJED-LBPRGKRZSA-N 0 3 330.359 3.339 20 10 EGCDHN COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000872134280 1296759198 /nfs/dbraw/zinc/75/91/98/1296759198.db2.gz BMEJQTSMPGPUGD-CBLJQSSYSA-N 0 3 343.423 3.108 20 10 EGCDHN COc1ccc(OC)c([C@H](O)[C@H](C)[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000872134281 1296759637 /nfs/dbraw/zinc/75/96/37/1296759637.db2.gz BMEJQTSMPGPUGD-SLSDUTBNSA-N 0 3 343.423 3.108 20 10 EGCDHN CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000383846392 1297574951 /nfs/dbraw/zinc/57/49/51/1297574951.db2.gz LDOYQKFEDFODNA-HUUCEWRRSA-N 0 3 332.444 3.369 20 10 EGCDHN C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)OC(C)(C)C)c1cc(F)ccc1[O-] ZINC000701927304 1298191563 /nfs/dbraw/zinc/19/15/63/1298191563.db2.gz CTYBCIBTMZMYFP-NWDGAFQWSA-N 0 3 326.412 3.437 20 10 EGCDHN COc1ccc(O)c([C@@H](C)NCc2cncc(Br)c2)c1 ZINC000703023801 1298199425 /nfs/dbraw/zinc/19/94/25/1298199425.db2.gz XDYIKBNDYOUNBJ-SNVBAGLBSA-N 0 3 337.217 3.409 20 10 EGCDHN CC(C)COC[C@H](O)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000725846660 1298373282 /nfs/dbraw/zinc/37/32/82/1298373282.db2.gz OGWXYXJBWUGWFO-LJQANCHMSA-N 0 3 329.440 3.182 20 10 EGCDHN CCN(CC)CC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000746823889 1298666744 /nfs/dbraw/zinc/66/67/44/1298666744.db2.gz UXEDJQQRDCSCSV-UHFFFAOYSA-N 0 3 327.472 3.095 20 10 EGCDHN Cc1cccc([O-])c1C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000876567943 1298834548 /nfs/dbraw/zinc/83/45/48/1298834548.db2.gz ULJLOZGTXIBMGR-UHFFFAOYSA-N 0 3 342.414 3.234 20 10 EGCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000876736217 1298947292 /nfs/dbraw/zinc/94/72/92/1298947292.db2.gz UKYMWVKWALOHDW-HOCLYGCPSA-N 0 3 334.460 3.436 20 10 EGCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000876736217 1298947296 /nfs/dbraw/zinc/94/72/96/1298947296.db2.gz UKYMWVKWALOHDW-HOCLYGCPSA-N 0 3 334.460 3.436 20 10 EGCDHN Cc1nc(CN2CCC(C[NH2+]Cc3ccc(C)cc3[O-])CC2)oc1C ZINC000877009396 1299113193 /nfs/dbraw/zinc/11/31/93/1299113193.db2.gz ZKXXZJIYBSRTMD-UHFFFAOYSA-N 0 3 343.471 3.307 20 10 EGCDHN Cc1ccc(C[N@H+]2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000877167599 1299189985 /nfs/dbraw/zinc/18/99/85/1299189985.db2.gz CYDQYNALYIMCFY-CABCVRRESA-N 0 3 334.460 3.436 20 10 EGCDHN Cc1ccc(C[N@@H+]2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000877167599 1299189990 /nfs/dbraw/zinc/18/99/90/1299189990.db2.gz CYDQYNALYIMCFY-CABCVRRESA-N 0 3 334.460 3.436 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]CCn2ccc(C(F)(F)F)n2)c1[O-] ZINC000877804841 1299566087 /nfs/dbraw/zinc/56/60/87/1299566087.db2.gz FGCOKBAQELJWQG-UHFFFAOYSA-N 0 3 349.740 3.059 20 10 EGCDHN COc1cc(Br)cc(C[NH2+][C@H]2C[C@H](OC)C2(C)C)c1[O-] ZINC000753375087 1299923800 /nfs/dbraw/zinc/92/38/00/1299923800.db2.gz ZNRREQIAOVNMAZ-STQMWFEESA-N 0 3 344.249 3.066 20 10 EGCDHN COc1cc(CN2CCN(CC3CC3)CC2)c(O)c(C(C)(C)C)c1 ZINC000754727715 1300202963 /nfs/dbraw/zinc/20/29/63/1300202963.db2.gz OKCHLQUHVYWBFL-UHFFFAOYSA-N 0 3 332.488 3.226 20 10 EGCDHN CC[C@H]([NH2+]Cc1ccccc1[O-])[C@H](c1ccc(C)cc1)n1cncn1 ZINC000756047240 1300431714 /nfs/dbraw/zinc/43/17/14/1300431714.db2.gz QQTHNZNIKLQUFG-ICSRJNTNSA-N 0 3 336.439 3.450 20 10 EGCDHN CC[C@@H]([NH2+]Cc1ccccc1[O-])[C@H](c1ccc(C)cc1)n1cncn1 ZINC000756047241 1300432244 /nfs/dbraw/zinc/43/22/44/1300432244.db2.gz QQTHNZNIKLQUFG-QUCCMNQESA-N 0 3 336.439 3.450 20 10 EGCDHN CCOC(=O)N1CCC([NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)CC1 ZINC000756379770 1300479752 /nfs/dbraw/zinc/47/97/52/1300479752.db2.gz BPFVPKSGGFCOQI-FZMZJTMJSA-N 0 3 336.407 3.290 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+]CCc2cn3c(n2)CCCC3)c2c1c(F)ccc2[O-] ZINC000756402658 1300484108 /nfs/dbraw/zinc/48/41/08/1300484108.db2.gz NOFMYBUXIGPQCK-IUODEOHRSA-N 0 3 329.419 3.445 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+]C2CCN(CC(F)F)CC2)c2c1c(F)ccc2[O-] ZINC000756501702 1300508064 /nfs/dbraw/zinc/50/80/64/1300508064.db2.gz FZJRWWAMVBLAII-MFKMUULPSA-N 0 3 328.378 3.399 20 10 EGCDHN C[C@H]1C[C@H]([NH2+]Cc2cccc(-n3cncn3)c2)c2c1c(F)ccc2[O-] ZINC000756587779 1300527295 /nfs/dbraw/zinc/52/72/95/1300527295.db2.gz CKYXNOISUVUKNU-LRDDRELGSA-N 0 3 338.386 3.450 20 10 EGCDHN C[C@@H]([NH2+]CC(=O)Nc1ccc(N2CCCC2)cc1)c1ccccc1[O-] ZINC000879648273 1300648234 /nfs/dbraw/zinc/64/82/34/1300648234.db2.gz HXFOLJKFHOOYSG-OAHLLOKOSA-N 0 3 339.439 3.282 20 10 EGCDHN C[C@@H](c1ccccc1)[N@H+](CCN1CCOCC1)Cc1ccccc1[O-] ZINC000757273786 1300662340 /nfs/dbraw/zinc/66/23/40/1300662340.db2.gz GBIDDOYKUHSKHN-SFHVURJKSA-N 0 3 340.467 3.288 20 10 EGCDHN C[C@@H](c1ccccc1)[N@@H+](CCN1CCOCC1)Cc1ccccc1[O-] ZINC000757273786 1300662348 /nfs/dbraw/zinc/66/23/48/1300662348.db2.gz GBIDDOYKUHSKHN-SFHVURJKSA-N 0 3 340.467 3.288 20 10 EGCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC[C@@H](C)N2CCCCC2)c1 ZINC000757659125 1300706283 /nfs/dbraw/zinc/70/62/83/1300706283.db2.gz WSJRMIBAIGXYTP-CABCVRRESA-N 0 3 334.460 3.094 20 10 EGCDHN CCN(C)c1ccc(CN2CCCN(C(=O)CC(C)C)CC2)cc1 ZINC000879760396 1300724434 /nfs/dbraw/zinc/72/44/34/1300724434.db2.gz APDUFULBFIAMIH-UHFFFAOYSA-N 0 3 331.504 3.223 20 10 EGCDHN C[C@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1)c1cc(F)ccc1[O-] ZINC000760040925 1301212760 /nfs/dbraw/zinc/21/27/60/1301212760.db2.gz MXCVNCWZHCJRGR-OYYNGEPBSA-N 0 3 333.378 3.487 20 10 EGCDHN COc1cccc(O)c1CN1CCN(c2ccc(C)c(C)c2)CC1 ZINC000768241525 1302863697 /nfs/dbraw/zinc/86/36/97/1302863697.db2.gz RIHQSAXSWFFKBZ-UHFFFAOYSA-N 0 3 326.440 3.340 20 10 EGCDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@H]1CCCc2ccccc21 ZINC000768441930 1302903885 /nfs/dbraw/zinc/90/38/85/1302903885.db2.gz RBRFDCQMDDZRFJ-HKUYNNGSSA-N 0 3 325.408 3.327 20 10 EGCDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@H]1CCCc2ccccc21 ZINC000768441930 1302903897 /nfs/dbraw/zinc/90/38/97/1302903897.db2.gz RBRFDCQMDDZRFJ-HKUYNNGSSA-N 0 3 325.408 3.327 20 10 EGCDHN Cc1ccc([C@@H]2CCC[N@@H+]2Cc2cc3c(cc2[O-])OC[C@H]3O)cc1 ZINC000768441498 1302904045 /nfs/dbraw/zinc/90/40/45/1302904045.db2.gz MGYAPCGXTWNRTH-PKOBYXMFSA-N 0 3 325.408 3.464 20 10 EGCDHN Cc1ccc([C@@H]2CCC[N@H+]2Cc2cc3c(cc2[O-])OC[C@H]3O)cc1 ZINC000768441498 1302904052 /nfs/dbraw/zinc/90/40/52/1302904052.db2.gz MGYAPCGXTWNRTH-PKOBYXMFSA-N 0 3 325.408 3.464 20 10 EGCDHN CC[C@H](c1ccncc1)[N@H+](CC)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768446225 1302905838 /nfs/dbraw/zinc/90/58/38/1302905838.db2.gz LDUKLTYZYDYXQT-SJLPKXTDSA-N 0 3 328.412 3.186 20 10 EGCDHN CC[C@H](c1ccncc1)[N@@H+](CC)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768446225 1302905842 /nfs/dbraw/zinc/90/58/42/1302905842.db2.gz LDUKLTYZYDYXQT-SJLPKXTDSA-N 0 3 328.412 3.186 20 10 EGCDHN Cc1cccc([C@H]2CCC[N@@H+]2Cc2cc3c(cc2[O-])OC[C@H]3O)c1 ZINC000768444323 1302906919 /nfs/dbraw/zinc/90/69/19/1302906919.db2.gz XMOZKLBWMNRMLJ-IEBWSBKVSA-N 0 3 325.408 3.464 20 10 EGCDHN Cc1cccc([C@H]2CCC[N@H+]2Cc2cc3c(cc2[O-])OC[C@H]3O)c1 ZINC000768444323 1302906925 /nfs/dbraw/zinc/90/69/25/1302906925.db2.gz XMOZKLBWMNRMLJ-IEBWSBKVSA-N 0 3 325.408 3.464 20 10 EGCDHN CC[C@H]1c2ccccc2CC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768445725 1302906987 /nfs/dbraw/zinc/90/69/87/1302906987.db2.gz IVCKTCQNFUZTAH-HKUYNNGSSA-N 0 3 325.408 3.327 20 10 EGCDHN CC[C@H]1c2ccccc2CC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768445725 1302906997 /nfs/dbraw/zinc/90/69/97/1302906997.db2.gz IVCKTCQNFUZTAH-HKUYNNGSSA-N 0 3 325.408 3.327 20 10 EGCDHN Oc1cc2c(cc1CNC1(c3ccc(F)cc3F)CCC1)[C@@H](O)CO2 ZINC000768464879 1302912169 /nfs/dbraw/zinc/91/21/69/1302912169.db2.gz FSXRBRYJDYZGLZ-KRWDZBQOSA-N 0 3 347.361 3.265 20 10 EGCDHN CCC[C@H](C)NC(=O)[C@H]1CCCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000769209261 1303070622 /nfs/dbraw/zinc/07/06/22/1303070622.db2.gz GRYOLVPEPDHTJU-RDJZCZTQSA-N 0 3 349.494 3.409 20 10 EGCDHN CC[N@@H+]1C[C@H](C)N(Cc2cc(Br)ccc2[O-])C[C@H]1C ZINC000769465193 1303118454 /nfs/dbraw/zinc/11/84/54/1303118454.db2.gz DIJYBJVMLGODJX-NEPJUHHUSA-N 0 3 327.266 3.069 20 10 EGCDHN CC[N@H+]1C[C@H](C)N(Cc2cc(Br)ccc2[O-])C[C@H]1C ZINC000769465193 1303118457 /nfs/dbraw/zinc/11/84/57/1303118457.db2.gz DIJYBJVMLGODJX-NEPJUHHUSA-N 0 3 327.266 3.069 20 10 EGCDHN Cc1sccc1CNCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886325185 1303433875 /nfs/dbraw/zinc/43/38/75/1303433875.db2.gz YAEBUMWRATZOJN-UHFFFAOYSA-N 0 3 343.496 3.048 20 10 EGCDHN COc1ccc(NC(=O)[C@H](C)N[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000774479628 1303814704 /nfs/dbraw/zinc/81/47/04/1303814704.db2.gz RFVRHNQJJUFVBG-CABCVRRESA-N 0 3 341.455 3.439 20 10 EGCDHN C[C@@H](N[C@@H](C)C(=O)Nc1cccnc1Cl)c1ccc(N(C)C)cc1 ZINC000774485214 1303816143 /nfs/dbraw/zinc/81/61/43/1303816143.db2.gz SKGLHNCJBPIEBN-OLZOCXBDSA-N 0 3 346.862 3.479 20 10 EGCDHN COc1ccc(O)c([C@H](C)N[C@@H](C)C(=O)c2c[nH]c3ncccc23)c1 ZINC000775371158 1303948906 /nfs/dbraw/zinc/94/89/06/1303948906.db2.gz UYXQKYMXQKNLEY-RYUDHWBXSA-N 0 3 339.395 3.199 20 10 EGCDHN C[C@@H]1[C@H](C)N(C)CCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000775987844 1304076241 /nfs/dbraw/zinc/07/62/41/1304076241.db2.gz WMHSYIRZZXEIOO-JKSUJKDBSA-N 0 3 346.475 3.110 20 10 EGCDHN COc1cc(Cl)cc(CN2CCOCC3(CCCC3)C2)c1O ZINC000776010091 1304078563 /nfs/dbraw/zinc/07/85/63/1304078563.db2.gz XSAMWKQZFYURCY-UHFFFAOYSA-N 0 3 325.836 3.447 20 10 EGCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]C[C@H]2CCCOC2)C1 ZINC000776175766 1304107039 /nfs/dbraw/zinc/10/70/39/1304107039.db2.gz QLLAHAVENUBIJZ-RHSMWYFYSA-N 0 3 338.879 3.026 20 10 EGCDHN CCOc1cccc(CN(C)CCN(C)C(=O)OC(C)(C)C)c1O ZINC000779596805 1304585134 /nfs/dbraw/zinc/58/51/34/1304585134.db2.gz MKZMAAODFIOMFN-UHFFFAOYSA-N 0 3 338.448 3.090 20 10 EGCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccc(CF)cc2)N(C)C)cc1 ZINC000891247316 1304998846 /nfs/dbraw/zinc/99/88/46/1304998846.db2.gz UBQVEVUAOZCYBC-IBGZPJMESA-N 0 3 343.446 3.255 20 10 EGCDHN c1nc(C2CC2)c(CNCc2ccc(N3CCOCC3)cc2)s1 ZINC000785433054 1305350131 /nfs/dbraw/zinc/35/01/31/1305350131.db2.gz CEBKAPXDHDBLRB-UHFFFAOYSA-N 0 3 329.469 3.147 20 10 EGCDHN COc1ccc(CN[C@@H]2CSCc3ccccc32)c(O)c1OC ZINC000892685213 1305508411 /nfs/dbraw/zinc/50/84/11/1305508411.db2.gz XYAPOJTVHDEKCR-OAHLLOKOSA-N 0 3 331.437 3.487 20 10 EGCDHN C[C@@H](O)[C@H]1CCCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000793060376 1309289463 /nfs/dbraw/zinc/28/94/63/1309289463.db2.gz AXHKFPHLFSUOFJ-OLZOCXBDSA-N 0 3 330.394 3.364 20 10 EGCDHN CCCCN(CC(=O)Nc1ccc(O)cc1)Cc1ccccc1O ZINC000801595958 1310970922 /nfs/dbraw/zinc/97/09/22/1310970922.db2.gz WUOZDYLDJPFKLV-UHFFFAOYSA-N 0 3 328.412 3.339 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](CO)C[C@H](O)c2ccccc2)c1[O-] ZINC000808707890 1317719607 /nfs/dbraw/zinc/71/96/07/1317719607.db2.gz BRDNKIZXNNUQGP-XCRHUMRWSA-N 0 3 349.858 3.489 20 10 EGCDHN CCOC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])C1 ZINC000808715546 1317721084 /nfs/dbraw/zinc/72/10/84/1317721084.db2.gz VRTUTSCFFBDBGA-AAEUAGOBSA-N 0 3 326.824 3.235 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2COc3ccccc3[C@@H]2O)c2c1c(F)ccc2[O-] ZINC000808729447 1317724865 /nfs/dbraw/zinc/72/48/65/1317724865.db2.gz JZYFLROOLOEFTN-CWTJIZKASA-N 0 3 329.371 3.164 20 10 EGCDHN CSC1(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC000809619043 1317847056 /nfs/dbraw/zinc/84/70/56/1317847056.db2.gz UKCJQXZOMSOVHS-OAHLLOKOSA-N 0 3 340.920 3.495 20 10 EGCDHN COc1cccc([O-])c1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000809698825 1317868479 /nfs/dbraw/zinc/86/84/79/1317868479.db2.gz HBEKOEGLNAWMHV-BHIYHBOVSA-N 0 3 339.435 3.405 20 10 EGCDHN COc1cccc([O-])c1C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000809698825 1317868485 /nfs/dbraw/zinc/86/84/85/1317868485.db2.gz HBEKOEGLNAWMHV-BHIYHBOVSA-N 0 3 339.435 3.405 20 10 EGCDHN C[N@H+](CCc1nc(-c2ccccc2)no1)Cc1cc(F)ccc1[O-] ZINC000809702739 1317869050 /nfs/dbraw/zinc/86/90/50/1317869050.db2.gz XFKMPWZZGCHZJN-UHFFFAOYSA-N 0 3 327.359 3.256 20 10 EGCDHN C[N@@H+](CCc1nc(-c2ccccc2)no1)Cc1cc(F)ccc1[O-] ZINC000809702739 1317869057 /nfs/dbraw/zinc/86/90/57/1317869057.db2.gz XFKMPWZZGCHZJN-UHFFFAOYSA-N 0 3 327.359 3.256 20 10 EGCDHN COC(=O)c1cccc(C[NH2+]Cc2cc(Cl)cc(OC)c2[O-])c1 ZINC000809730490 1317881804 /nfs/dbraw/zinc/88/18/04/1317881804.db2.gz PQWVTXRIDYWONN-UHFFFAOYSA-N 0 3 335.787 3.131 20 10 EGCDHN COc1ccc(O)c(CN(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)c1 ZINC000809768968 1317895173 /nfs/dbraw/zinc/89/51/73/1317895173.db2.gz ZUDAYNZESBCBBO-GOEBONIOSA-N 0 3 345.464 3.402 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](c3ccccc3)C1)[C@@H](O)CO2 ZINC000814224940 1318703000 /nfs/dbraw/zinc/70/30/00/1318703000.db2.gz CHQXAVOBDQWZEC-KXBFYZLASA-N 0 3 325.408 3.198 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](c3ccccc3)C1)[C@@H](O)CO2 ZINC000814224940 1318703009 /nfs/dbraw/zinc/70/30/09/1318703009.db2.gz CHQXAVOBDQWZEC-KXBFYZLASA-N 0 3 325.408 3.198 20 10 EGCDHN Cc1sccc1CNCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000815116916 1318896957 /nfs/dbraw/zinc/89/69/57/1318896957.db2.gz GKQRSJKGIMORJF-KRWDZBQOSA-N 0 3 343.496 3.048 20 10 EGCDHN C[C@H]1C[C@@H](CO)CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000817412570 1319353919 /nfs/dbraw/zinc/35/39/19/1319353919.db2.gz MUNHMCNTHUQXRX-DOTOQJQBSA-N 0 3 347.459 3.035 20 10 EGCDHN Cc1ccc(C)n1-c1ccc(C(=O)NCCN2CCCCC2)cc1 ZINC000915649107 1319513556 /nfs/dbraw/zinc/51/35/56/1319513556.db2.gz PEBFUVMGWGRXDT-UHFFFAOYSA-N 0 3 325.456 3.310 20 10 EGCDHN COc1ccc(N2CC[C@H](CN[C@@H]3C[C@H](C)n4ccnc43)C2)cc1 ZINC000818341600 1319531119 /nfs/dbraw/zinc/53/11/19/1319531119.db2.gz BQTPEQGZBAANQE-HDMKZQKVSA-N 0 3 326.444 3.014 20 10 EGCDHN CN(C)c1ccc([C@@H](CNC(=O)Nc2ccsc2)N(C)C)cc1 ZINC000930342938 1328836726 /nfs/dbraw/zinc/83/67/26/1328836726.db2.gz SHCGWFMAZDKYGN-MRXNPFEDSA-N 0 3 332.473 3.239 20 10 EGCDHN CCN(CC)c1ccc(CNCc2cnc3c(c2)c(C)nn3C)cc1 ZINC000917140341 1319762343 /nfs/dbraw/zinc/76/23/43/1319762343.db2.gz OYMXBDHMVCRQDU-UHFFFAOYSA-N 0 3 337.471 3.413 20 10 EGCDHN CCOc1ccc(C[NH2+]Cc2ccnc(C(F)(F)F)c2)c([O-])c1 ZINC000824660846 1320275231 /nfs/dbraw/zinc/27/52/31/1320275231.db2.gz KMWYLLXQVDAGHF-UHFFFAOYSA-N 0 3 326.318 3.495 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCOC3(CCC3)C2)c1[O-] ZINC000824750211 1320282736 /nfs/dbraw/zinc/28/27/36/1320282736.db2.gz DSSJYFGZNIMSLY-GFCCVEGCSA-N 0 3 325.836 3.493 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+]CC(C)(C)C(C)(C)O)c1[O-] ZINC000825203093 1320318211 /nfs/dbraw/zinc/31/82/11/1320318211.db2.gz XEMSAADMLLRHKP-UHFFFAOYSA-N 0 3 330.266 3.350 20 10 EGCDHN COc1cccc(CNCc2cncc(Br)c2C)c1O ZINC000825916189 1320370632 /nfs/dbraw/zinc/37/06/32/1320370632.db2.gz KLVBHFKFEVAQCP-UHFFFAOYSA-N 0 3 337.217 3.157 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCN(C(C)(C)C)C2)c1[O-] ZINC000826867122 1320410414 /nfs/dbraw/zinc/41/04/14/1320410414.db2.gz HIYWPDCLTKQJRP-AWEZNQCLSA-N 0 3 341.293 3.426 20 10 EGCDHN C[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])C1(CO)CC1 ZINC000826990221 1320418794 /nfs/dbraw/zinc/41/87/94/1320418794.db2.gz BZVYFPHAGHQQIA-HNNXBMFYSA-N 0 3 327.424 3.222 20 10 EGCDHN CCN(CC)c1ccc(CN2CC[C@H](CN3CCCC3=O)C2)cc1F ZINC000827633697 1320463703 /nfs/dbraw/zinc/46/37/03/1320463703.db2.gz BXXBCLARMBCAEA-KRWDZBQOSA-N 0 3 347.478 3.116 20 10 EGCDHN C[C@@H]1CN(c2ccccc2CNCc2ccc3c(c2)CCO3)CCO1 ZINC000838923326 1320835961 /nfs/dbraw/zinc/83/59/61/1320835961.db2.gz REGVFVHRCPKUAO-MRXNPFEDSA-N 0 3 338.451 3.136 20 10 EGCDHN COc1ccc(CNCc2cc(F)c(N3CCOCC3)c(F)c2)cc1 ZINC000839146680 1320880655 /nfs/dbraw/zinc/88/06/55/1320880655.db2.gz QREZNEOADRCFNY-UHFFFAOYSA-N 0 3 348.393 3.100 20 10 EGCDHN Cc1ccc(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)nn1 ZINC000840891406 1321172147 /nfs/dbraw/zinc/17/21/47/1321172147.db2.gz SHMQSVSMZRUJMU-UHFFFAOYSA-N 0 3 348.397 3.145 20 10 EGCDHN [O-]c1ccccc1C[NH2+][C@@H](c1ccccc1)C1(CO)CCOCC1 ZINC000840972699 1321191296 /nfs/dbraw/zinc/19/12/96/1321191296.db2.gz RNWMKJZUIMYBNK-IBGZPJMESA-N 0 3 327.424 3.012 20 10 EGCDHN C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccc(N2CCNC2=O)cc1 ZINC000842899182 1321447695 /nfs/dbraw/zinc/44/76/95/1321447695.db2.gz BPJHNFRGUVNGKA-STQMWFEESA-N 0 3 343.402 3.473 20 10 EGCDHN COc1cccc([C@H](C)NCc2cccc(C(=O)NC3CC3)c2)c1O ZINC000846141221 1321770881 /nfs/dbraw/zinc/77/08/81/1321770881.db2.gz GCDGABIRRQOUNH-ZDUSSCGKSA-N 0 3 340.423 3.144 20 10 EGCDHN CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2cccc(CC)c2[O-])CC1 ZINC000848903628 1322040086 /nfs/dbraw/zinc/04/00/86/1322040086.db2.gz BSMZBEPNNQTUEW-CQSZACIVSA-N 0 3 334.460 3.301 20 10 EGCDHN CCc1cccc(CN(CCNC(C)=O)Cc2ccc(C)s2)c1O ZINC000848909208 1322042071 /nfs/dbraw/zinc/04/20/71/1322042071.db2.gz NHEIZVUHBYBXDV-UHFFFAOYSA-N 0 3 346.496 3.463 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)c2c1c(F)ccc2[O-] ZINC000850500517 1322257790 /nfs/dbraw/zinc/25/77/90/1322257790.db2.gz FCDNEHZWHYQKNM-JQPVCEIDSA-N 0 3 325.449 3.359 20 10 EGCDHN COCCOc1ccc(CNCc2ccc3c(c2)CCCO3)cc1 ZINC000921525265 1322340768 /nfs/dbraw/zinc/34/07/68/1322340768.db2.gz XMAYAIKOMHBUAC-UHFFFAOYSA-N 0 3 327.424 3.327 20 10 EGCDHN CC[C@H]([NH2+]CCc1ccccc1S(C)(=O)=O)c1ccccc1[O-] ZINC000926907483 1327769663 /nfs/dbraw/zinc/76/96/63/1327769663.db2.gz JTPPCRUTAMUHPF-INIZCTEOSA-N 0 3 333.453 3.079 20 10 EGCDHN Cc1cccc(F)c1CNCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001323188938 1387308621 /nfs/dbraw/zinc/30/86/21/1387308621.db2.gz BUSYXAIUULOILL-UHFFFAOYSA-N 0 3 345.437 3.315 20 10 EGCDHN O=C(NC1CC[NH+](Cc2ccccc2[O-])CC1)OC1CCCCC1 ZINC001193650337 1368083528 /nfs/dbraw/zinc/08/35/28/1368083528.db2.gz NXDUWBATFZFZGJ-UHFFFAOYSA-N 0 3 332.444 3.416 20 10 EGCDHN O=C1N(c2ccsc2)CC[C@@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001203551662 1370166881 /nfs/dbraw/zinc/16/68/81/1370166881.db2.gz JTPWOBADVAYNEO-GOSISDBHSA-N 0 3 328.437 3.083 20 10 EGCDHN O=C1N(c2ccsc2)CC[C@@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001203551662 1370166886 /nfs/dbraw/zinc/16/68/86/1370166886.db2.gz JTPWOBADVAYNEO-GOSISDBHSA-N 0 3 328.437 3.083 20 10 EGCDHN CC(C)(C)OC(=O)N1CC2(C1)CCC[N@H+](Cc1ccccc1[O-])C2 ZINC001203555464 1370167831 /nfs/dbraw/zinc/16/78/31/1370167831.db2.gz ACRSAVSTCJSEES-UHFFFAOYSA-N 0 3 332.444 3.225 20 10 EGCDHN CC(C)(C)OC(=O)N1CC2(C1)CCC[N@@H+](Cc1ccccc1[O-])C2 ZINC001203555464 1370167832 /nfs/dbraw/zinc/16/78/32/1370167832.db2.gz ACRSAVSTCJSEES-UHFFFAOYSA-N 0 3 332.444 3.225 20 10 EGCDHN [O-]c1ccccc1C[NH+]1CCN(c2ccc(-c3ncccn3)cc2)CC1 ZINC001203562231 1370170604 /nfs/dbraw/zinc/17/06/04/1370170604.db2.gz FVNQDMRFRCBKLK-UHFFFAOYSA-N 0 3 346.434 3.171 20 10 EGCDHN COc1ccc(C[N@@H+]2CCC[C@H](Oc3ncccc3C)C2)c([O-])c1 ZINC001203635135 1370194979 /nfs/dbraw/zinc/19/49/79/1370194979.db2.gz LCMKBTSSSGKPTC-KRWDZBQOSA-N 0 3 328.412 3.148 20 10 EGCDHN COc1ccc(C[N@H+]2CCC[C@H](Oc3ncccc3C)C2)c([O-])c1 ZINC001203635135 1370194984 /nfs/dbraw/zinc/19/49/84/1370194984.db2.gz LCMKBTSSSGKPTC-KRWDZBQOSA-N 0 3 328.412 3.148 20 10 EGCDHN CN(C)c1ccc(CN2CCC3(CC2)C(=O)N[C@@H]3c2ccccc2)cc1 ZINC001203933515 1370320550 /nfs/dbraw/zinc/32/05/50/1370320550.db2.gz OENPHNLZWDGKNO-HXUWFJFHSA-N 0 3 349.478 3.206 20 10 EGCDHN CCN(CC)c1ccc(CN2CC[C@H](Oc3ncc(C)cn3)C2)cc1 ZINC001203943827 1370324466 /nfs/dbraw/zinc/32/44/66/1370324466.db2.gz HKAVFAKQHGMLKG-IBGZPJMESA-N 0 3 340.471 3.285 20 10 EGCDHN O=C(c1ccc(F)cc1F)C1CCN(Cc2ccc(O)cc2O)CC1 ZINC001204278525 1370430455 /nfs/dbraw/zinc/43/04/55/1370430455.db2.gz DZIJQPSSDGQSSU-UHFFFAOYSA-N 0 3 347.361 3.471 20 10 EGCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H]1CNc1cccc(C)n1 ZINC001116445521 1370912869 /nfs/dbraw/zinc/91/28/69/1370912869.db2.gz SYCQIMSGUJGWNK-HNNXBMFYSA-N 0 3 327.428 3.181 20 10 EGCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H]1CNc1cccc(C)n1 ZINC001116445521 1370912872 /nfs/dbraw/zinc/91/28/72/1370912872.db2.gz SYCQIMSGUJGWNK-HNNXBMFYSA-N 0 3 327.428 3.181 20 10 EGCDHN C[C@@H](Nc1ccc(N2CCN(C)CC2)cc1)c1c(O)cccc1F ZINC001119438155 1371340801 /nfs/dbraw/zinc/34/08/01/1371340801.db2.gz JIUYLBJVNKOKQM-CQSZACIVSA-N 0 3 329.419 3.456 20 10 EGCDHN CC[N@@H+](Cc1ccccc1[O-])C[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001207780558 1371502307 /nfs/dbraw/zinc/50/23/07/1371502307.db2.gz HNLVDRXFBJGTBO-OSYLJGHBSA-N 0 3 346.471 3.327 20 10 EGCDHN CC[N@H+](Cc1ccccc1[O-])C[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001207780558 1371502311 /nfs/dbraw/zinc/50/23/11/1371502311.db2.gz HNLVDRXFBJGTBO-OSYLJGHBSA-N 0 3 346.471 3.327 20 10 EGCDHN C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001208228273 1371667002 /nfs/dbraw/zinc/66/70/02/1371667002.db2.gz XLSKWEORJBQPKF-CQSZACIVSA-N 0 3 325.408 3.358 20 10 EGCDHN C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCc2cccc([O-])c2C1 ZINC001208228273 1371667008 /nfs/dbraw/zinc/66/70/08/1371667008.db2.gz XLSKWEORJBQPKF-CQSZACIVSA-N 0 3 325.408 3.358 20 10 EGCDHN Cc1cc(C)c(CN2CCN(c3nc4ccccc4o3)CC2)c(O)c1 ZINC001231846026 1376325602 /nfs/dbraw/zinc/32/56/02/1376325602.db2.gz YKBXQIXNELFPAU-UHFFFAOYSA-N 0 3 337.423 3.472 20 10 EGCDHN Cc1cc([O-])c(CN2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)cc1Cl ZINC001231870842 1376331356 /nfs/dbraw/zinc/33/13/56/1376331356.db2.gz BHYAHQMFDXVCJB-HOTGVXAUSA-N 0 3 326.843 3.362 20 10 EGCDHN COc1cc([O-])c(CN2CCN(c3cc[nH+]c(C)c3)CC2)cc1Cl ZINC001232271672 1376428094 /nfs/dbraw/zinc/42/80/94/1376428094.db2.gz ZVBYQPWGWBVJRS-UHFFFAOYSA-N 0 3 347.846 3.080 20 10 EGCDHN COc1cc(Cl)cc(CN2CCCN(c3cccnc3)CC2)c1O ZINC001233290803 1376606615 /nfs/dbraw/zinc/60/66/15/1376606615.db2.gz XCHDKICGZRDDHM-UHFFFAOYSA-N 0 3 347.846 3.162 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+]2CCCN(c3cccnc3)CC2)c1[O-] ZINC001233290803 1376606616 /nfs/dbraw/zinc/60/66/16/1376606616.db2.gz XCHDKICGZRDDHM-UHFFFAOYSA-N 0 3 347.846 3.162 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+]2CCCN(c3cccnc3)CC2)c1[O-] ZINC001233290803 1376606623 /nfs/dbraw/zinc/60/66/23/1376606623.db2.gz XCHDKICGZRDDHM-UHFFFAOYSA-N 0 3 347.846 3.162 20 10 EGCDHN [O-]c1c(C[N@@H+]2CCC[C@@]3(CCOC3)C2)cccc1OC(F)(F)F ZINC001233737075 1376706112 /nfs/dbraw/zinc/70/61/12/1376706112.db2.gz VKSPFJUTUKTYMZ-OAHLLOKOSA-N 0 3 331.334 3.293 20 10 EGCDHN [O-]c1c(C[N@H+]2CCC[C@@]3(CCOC3)C2)cccc1OC(F)(F)F ZINC001233737075 1376706115 /nfs/dbraw/zinc/70/61/15/1376706115.db2.gz VKSPFJUTUKTYMZ-OAHLLOKOSA-N 0 3 331.334 3.293 20 10 EGCDHN Cc1nc([C@H]2CCCN(Cc3ccc4c(c3)CCCN4C)C2)no1 ZINC001138354490 1377708357 /nfs/dbraw/zinc/70/83/57/1377708357.db2.gz LPSVRBFQCDPYJJ-KRWDZBQOSA-N 0 3 326.444 3.140 20 10 EGCDHN C[C@H]1CN(Cc2ccc3c(c2)CCCN3C)CC[C@]1(O)C(F)(F)F ZINC001138354603 1377708861 /nfs/dbraw/zinc/70/88/61/1377708861.db2.gz PASYDHOVBLREKH-SUMWQHHRSA-N 0 3 342.405 3.204 20 10 EGCDHN Cc1cc(CN2CC[C@@](O)(C(F)(F)F)[C@@H](C)C2)ccc1N(C)C ZINC001139669779 1377930694 /nfs/dbraw/zinc/93/06/94/1377930694.db2.gz NGZZBPTWSVQSHS-BBRMVZONSA-N 0 3 330.394 3.196 20 10 EGCDHN Cc1cc(CN2CCN(CCc3cccs3)CC2)ccc1N(C)C ZINC001139672311 1377930977 /nfs/dbraw/zinc/93/09/77/1377930977.db2.gz VKZXRSGNMPEKBY-UHFFFAOYSA-N 0 3 343.540 3.483 20 10 EGCDHN O=C1N(c2ccsc2)CC[C@]12CC[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001140054445 1377996746 /nfs/dbraw/zinc/99/67/46/1377996746.db2.gz QOSPSSWWJBEDRB-SFHVURJKSA-N 0 3 346.427 3.222 20 10 EGCDHN O=C1N(c2ccsc2)CC[C@]12CC[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001140054445 1377996747 /nfs/dbraw/zinc/99/67/47/1377996747.db2.gz QOSPSSWWJBEDRB-SFHVURJKSA-N 0 3 346.427 3.222 20 10 EGCDHN [O-]c1cc(Cl)ccc1C[NH+]1C[C@@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001140462222 1378067449 /nfs/dbraw/zinc/06/74/49/1378067449.db2.gz AQABAINPQRQXFI-IRXDYDNUSA-N 0 3 343.858 3.004 20 10 EGCDHN CCCCN1CC[C@]2(CCC[N@H+](Cc3ccccc3[O-])CC2)C1=O ZINC001272618322 1378076777 /nfs/dbraw/zinc/07/67/77/1378076777.db2.gz FOVUIJMMZJJUFG-HXUWFJFHSA-N 0 3 330.472 3.397 20 10 EGCDHN CCCCN1CC[C@]2(CCC[N@@H+](Cc3ccccc3[O-])CC2)C1=O ZINC001272618322 1378076778 /nfs/dbraw/zinc/07/67/78/1378076778.db2.gz FOVUIJMMZJJUFG-HXUWFJFHSA-N 0 3 330.472 3.397 20 10 EGCDHN CC(C)CN1CC[C@]2(CCC[N@H+](Cc3cc(F)ccc3[O-])CC2)C1=O ZINC001273285306 1378094363 /nfs/dbraw/zinc/09/43/63/1378094363.db2.gz PZTZWDLZFKHUPJ-HXUWFJFHSA-N 0 3 348.462 3.392 20 10 EGCDHN CC(C)CN1CC[C@]2(CCC[N@@H+](Cc3cc(F)ccc3[O-])CC2)C1=O ZINC001273285306 1378094366 /nfs/dbraw/zinc/09/43/66/1378094366.db2.gz PZTZWDLZFKHUPJ-HXUWFJFHSA-N 0 3 348.462 3.392 20 10 EGCDHN Cc1c(O)ccc(CN2CC[C@H](Oc3cc(F)ccc3F)C2)c1O ZINC001140745565 1378128535 /nfs/dbraw/zinc/12/85/35/1378128535.db2.gz KSANYORBKHUFOO-AWEZNQCLSA-N 0 3 335.350 3.338 20 10 EGCDHN CC[C@H]1N(Cc2ccc(N(C)C)cc2Cl)CCC[C@]12CCC(=O)N2 ZINC001140923931 1378181776 /nfs/dbraw/zinc/18/17/76/1378181776.db2.gz IOJZGDYLZJPTNC-MJGOQNOKSA-N 0 3 349.906 3.429 20 10 EGCDHN COc1ccc(O[C@@H]2CCC[N@H+](Cc3ccc(C)cc3[O-])C2)nc1 ZINC001140954507 1378192191 /nfs/dbraw/zinc/19/21/91/1378192191.db2.gz VFUUEPXUVIPTOZ-QGZVFWFLSA-N 0 3 328.412 3.148 20 10 EGCDHN COc1ccc(O[C@@H]2CCC[N@@H+](Cc3ccc(C)cc3[O-])C2)nc1 ZINC001140954507 1378192194 /nfs/dbraw/zinc/19/21/94/1378192194.db2.gz VFUUEPXUVIPTOZ-QGZVFWFLSA-N 0 3 328.412 3.148 20 10 EGCDHN Oc1ccc(O)c(CN2CCC(Oc3cccc(Cl)n3)CC2)c1 ZINC001141161549 1378255230 /nfs/dbraw/zinc/25/52/30/1378255230.db2.gz VCCMWQUCKYJRSY-UHFFFAOYSA-N 0 3 334.803 3.190 20 10 EGCDHN C[N@H+](Cc1cc(F)c(F)cc1[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC001142508721 1378450909 /nfs/dbraw/zinc/45/09/09/1378450909.db2.gz JHTWPYUTBHGESB-MRXNPFEDSA-N 0 3 332.394 3.377 20 10 EGCDHN C[N@@H+](Cc1cc(F)c(F)cc1[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC001142508721 1378450911 /nfs/dbraw/zinc/45/09/11/1378450911.db2.gz JHTWPYUTBHGESB-MRXNPFEDSA-N 0 3 332.394 3.377 20 10 EGCDHN CN(Cc1cc(F)c(F)cc1[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001142508721 1378450914 /nfs/dbraw/zinc/45/09/14/1378450914.db2.gz JHTWPYUTBHGESB-MRXNPFEDSA-N 0 3 332.394 3.377 20 10 EGCDHN CN(Cc1cc(F)c(F)cc1[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001142508721 1378450915 /nfs/dbraw/zinc/45/09/15/1378450915.db2.gz JHTWPYUTBHGESB-MRXNPFEDSA-N 0 3 332.394 3.377 20 10 EGCDHN CC(C)(C)c1cccc(CN2CCN(c3cccnc3)CC2)c1O ZINC001143103633 1378541113 /nfs/dbraw/zinc/54/11/13/1378541113.db2.gz IBBNEZNIRZSJTM-UHFFFAOYSA-N 0 3 325.456 3.407 20 10 EGCDHN Cc1cnc(NCc2ccc(N3CCN(C)CC3)cc2)c2[nH]ccc21 ZINC001167426908 1383631395 /nfs/dbraw/zinc/63/13/95/1383631395.db2.gz NZUXDHWQJOXXKV-UHFFFAOYSA-N 0 3 335.455 3.235 20 10 EGCDHN Cc1cc(NCc2ccc(N3CCN(C)CC3)cc2)c2nccn2c1 ZINC001167434191 1383632853 /nfs/dbraw/zinc/63/28/53/1383632853.db2.gz FCQQSTIQTTUMSN-UHFFFAOYSA-N 0 3 335.455 3.007 20 10 EGCDHN COc1ccc(Cl)c2c1C[C@@H]([NH2+]Cc1ccc(O)cc1[O-])CC2 ZINC001171287371 1384485945 /nfs/dbraw/zinc/48/59/45/1384485945.db2.gz FEKFUCXZVLPJPK-LBPRGKRZSA-N 0 3 333.815 3.407 20 10 EGCDHN CNC(=O)c1ccc(CN(C)Cc2ccc(N3CCCC3)cc2)cc1 ZINC001319797752 1386300909 /nfs/dbraw/zinc/30/09/09/1386300909.db2.gz PWOOXTHXQYIZNJ-UHFFFAOYSA-N 0 3 337.467 3.278 20 10 EGCDHN OC[C@H]1CN(Cc2ccc(N3CCCC3)cc2)CC[C@H]1C(F)(F)F ZINC001329791019 1389224990 /nfs/dbraw/zinc/22/49/90/1389224990.db2.gz GGSZWIIRBMJYOV-NVXWUHKLSA-N 0 3 342.405 3.280 20 10 EGCDHN CN(Cc1ccc(N)cc1)[C@H](CO)c1cccc(Br)c1 ZINC001334774196 1390586403 /nfs/dbraw/zinc/58/64/03/1390586403.db2.gz GIIWGSMAIRNWDY-MRXNPFEDSA-N 0 3 335.245 3.197 20 10 EGCDHN CN(C)c1ccc(CN2CC[C@](O)(C3CC3)C2)c(C(F)(F)F)c1 ZINC001344378054 1390787824 /nfs/dbraw/zinc/78/78/24/1390787824.db2.gz NGTBGHHEVKXOBO-MRXNPFEDSA-N 0 3 328.378 3.118 20 10 EGCDHN CCNC(=O)OC[C@@H]1CCCCN1Cc1ccc(N2CCCC2)cc1 ZINC001347178991 1391019197 /nfs/dbraw/zinc/01/91/97/1391019197.db2.gz MQLSOYSEIRXMSU-IBGZPJMESA-N 0 3 345.487 3.387 20 10 EGCDHN COc1ccc(CNC/C=C/CNC(=O)c2sccc2F)cc1C ZINC001754133627 1440543709 /nfs/dbraw/zinc/54/37/09/1440543709.db2.gz ZOYZCPDKIQFWFL-ONEGZZNKSA-N 0 3 348.443 3.280 20 10 EGCDHN CC(C)[NH+]1CCC(CC[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])CC1 ZINC001593264174 994563284 /nfs/dbraw/zinc/56/32/84/994563284.db2.gz GLSNEYQCRNGRQN-CQSZACIVSA-N 0 3 334.460 3.252 20 10 EGCDHN Fc1cc(CNCc2cccc3[nH]ccc32)ccc1N1CCOCC1 ZINC000237851809 455226348 /nfs/dbraw/zinc/22/63/48/455226348.db2.gz MSSKEMMNKZZUMY-UHFFFAOYSA-N 0 3 339.414 3.433 20 10 EGCDHN C[C@H](O)[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000183169682 455242908 /nfs/dbraw/zinc/24/29/08/455242908.db2.gz HFKDXNBJTRABFL-DOTOQJQBSA-N 0 3 327.424 3.174 20 10 EGCDHN C[C@H](O)[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000183169682 455242911 /nfs/dbraw/zinc/24/29/11/455242911.db2.gz HFKDXNBJTRABFL-DOTOQJQBSA-N 0 3 327.424 3.174 20 10 EGCDHN CCN1CCN(c2cccc(NC(=O)c3cccc(OC)c3)c2)CC1 ZINC000184274337 455368223 /nfs/dbraw/zinc/36/82/23/455368223.db2.gz YRVQOYVALDCVMN-UHFFFAOYSA-N 0 3 339.439 3.089 20 10 EGCDHN O=C(C1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1)N1CCCC1 ZINC000028708765 453824376 /nfs/dbraw/zinc/82/43/76/453824376.db2.gz OJGHMULLIJSLNX-UHFFFAOYSA-N 0 3 338.451 3.380 20 10 EGCDHN CCCCNC(=O)c1ccc(CNCc2ccc3c(c2)CCO3)cc1 ZINC000077328302 454092028 /nfs/dbraw/zinc/09/20/28/454092028.db2.gz HUFPDNRNTUXIQL-UHFFFAOYSA-N 0 3 338.451 3.441 20 10 EGCDHN C[C@H](N[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000090181562 454290446 /nfs/dbraw/zinc/29/04/46/454290446.db2.gz SYPXNRMSQJQYBC-DOTOQJQBSA-N 0 3 327.472 3.091 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@](C)(O)c2ccsc2)c1[O-] ZINC000184709014 455433162 /nfs/dbraw/zinc/43/31/62/455433162.db2.gz SGGWUOGRIIXEGV-OAHLLOKOSA-N 0 3 327.833 3.113 20 10 EGCDHN CCN(CC)c1ccc(CNCc2ccccc2Cn2cncn2)cc1 ZINC000078907799 454335977 /nfs/dbraw/zinc/33/59/77/454335977.db2.gz AZGSUUWOFPWZJU-UHFFFAOYSA-N 0 3 349.482 3.462 20 10 EGCDHN Cc1ccc(O)c(CN2CCN(Cc3ccc(Cl)nc3)CC2)c1 ZINC000093512738 454718984 /nfs/dbraw/zinc/71/89/84/454718984.db2.gz BCBCJPXRCBFAOQ-UHFFFAOYSA-N 0 3 331.847 3.067 20 10 EGCDHN Cc1ccc(O)c(CN2CCc3c(cccc3N3CCOC3=O)C2)c1 ZINC000093740688 454731179 /nfs/dbraw/zinc/73/11/79/454731179.db2.gz YUZOGXPNMSAQIR-UHFFFAOYSA-N 0 3 338.407 3.216 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2ccccc2Cn2cccn2)c1 ZINC000184911239 455471647 /nfs/dbraw/zinc/47/16/47/455471647.db2.gz JQYNPVXZLGZAGR-HNNXBMFYSA-N 0 3 337.423 3.496 20 10 EGCDHN COCCOc1ccc(C[NH2+][C@@H](C)c2cc(OC)ccc2[O-])cc1 ZINC000185012267 455485844 /nfs/dbraw/zinc/48/58/44/455485844.db2.gz ARMFLHXPHLIJAT-AWEZNQCLSA-N 0 3 331.412 3.277 20 10 EGCDHN COCCOc1ccc(CN[C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000185012267 455485848 /nfs/dbraw/zinc/48/58/48/455485848.db2.gz ARMFLHXPHLIJAT-AWEZNQCLSA-N 0 3 331.412 3.277 20 10 EGCDHN CCOc1ccc(O)c(CN[C@H](C[S@@](C)=O)c2ccccc2)c1 ZINC000154740229 454925519 /nfs/dbraw/zinc/92/55/19/454925519.db2.gz QANFGVUIJNIZEB-HXOBKFHXSA-N 0 3 333.453 3.000 20 10 EGCDHN Cc1noc(C)c1CCN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000156069086 455078136 /nfs/dbraw/zinc/07/81/36/455078136.db2.gz RKYUZIGYZXSJCL-CYBMUJFWSA-N 0 3 347.434 3.160 20 10 EGCDHN COc1cccc(C[NH2+][C@H]2CN(Cc3ccccc3)C[C@@H]2C)c1[O-] ZINC000156775494 455149638 /nfs/dbraw/zinc/14/96/38/455149638.db2.gz WMTCQEMKXXBJSV-YJBOKZPZSA-N 0 3 326.440 3.011 20 10 EGCDHN C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2F)CC1)c1ccccc1[O-] ZINC000183417615 455290276 /nfs/dbraw/zinc/29/02/76/455290276.db2.gz ZMSHAYQXCGZSPE-CQSZACIVSA-N 0 3 342.414 3.487 20 10 EGCDHN Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000158568522 455312761 /nfs/dbraw/zinc/31/27/61/455312761.db2.gz FTCJUZVFRBFKOF-GJZGRUSLSA-N 0 3 333.453 3.214 20 10 EGCDHN COc1ccc([O-])c(C[NH2+]C[C@H](c2ccco2)N2CCCCC2)c1 ZINC000181615031 455362569 /nfs/dbraw/zinc/36/25/69/455362569.db2.gz SEYBQBFXWARTRB-QGZVFWFLSA-N 0 3 330.428 3.311 20 10 EGCDHN Cc1cncc([C@@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000184294983 455368882 /nfs/dbraw/zinc/36/88/82/455368882.db2.gz WEMHNQDMDGRJJM-OAHLLOKOSA-N 0 3 343.446 3.341 20 10 EGCDHN COc1cccc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c1O ZINC000160193875 455437503 /nfs/dbraw/zinc/43/75/03/455437503.db2.gz VANLKBOVSFFHDG-KRWDZBQOSA-N 0 3 343.423 3.288 20 10 EGCDHN COc1cccc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c1O ZINC000160193875 455437508 /nfs/dbraw/zinc/43/75/08/455437508.db2.gz VANLKBOVSFFHDG-KRWDZBQOSA-N 0 3 343.423 3.288 20 10 EGCDHN CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(OC)c(OC)cc2[O-])C12CCC2 ZINC000160429123 455457856 /nfs/dbraw/zinc/45/78/56/455457856.db2.gz OYJWXXVVQWUQEB-QZTJIDSGSA-N 0 3 335.444 3.189 20 10 EGCDHN CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(OC)c(OC)cc2[O-])C12CCC2 ZINC000160429123 455457858 /nfs/dbraw/zinc/45/78/58/455457858.db2.gz OYJWXXVVQWUQEB-QZTJIDSGSA-N 0 3 335.444 3.189 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCc2ccnc(N3CCCC3)c2)c1 ZINC000184973249 455479787 /nfs/dbraw/zinc/47/97/87/455479787.db2.gz DJMWEUFYPMSKMK-AWEZNQCLSA-N 0 3 327.428 3.247 20 10 EGCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N2CCCc3ccccc32)c1 ZINC000182314966 455487015 /nfs/dbraw/zinc/48/70/15/455487015.db2.gz CZTLXSSNFCEEKM-CQSZACIVSA-N 0 3 340.423 3.031 20 10 EGCDHN C[C@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1cc(F)ccc1[O-] ZINC000185069313 455496213 /nfs/dbraw/zinc/49/62/13/455496213.db2.gz BQCROHLPIIFNGJ-AWEZNQCLSA-N 0 3 329.419 3.242 20 10 EGCDHN Oc1cccc2c1CCC[C@@H]2NCc1ccc(N2CCOCC2)cc1 ZINC000191662387 455508626 /nfs/dbraw/zinc/50/86/26/455508626.db2.gz HQFYCQOCHQEKSK-FQEVSTJZSA-N 0 3 338.451 3.396 20 10 EGCDHN COc1ccc([O-])c(C[NH2+]C[C@@](C)(Cc2ccccc2)[C@@H](C)O)c1 ZINC000191780722 455519132 /nfs/dbraw/zinc/51/91/32/455519132.db2.gz DXIGOPQUNWVNSV-FOIQADDNSA-N 0 3 329.440 3.120 20 10 EGCDHN COCCCN1CCC([NH2+][C@@H](C)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000185314572 455538027 /nfs/dbraw/zinc/53/80/27/455538027.db2.gz DKMZWRGMNUTPNA-INIZCTEOSA-N 0 3 346.515 3.423 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCNC(=O)c2ccccc2Cl)c1 ZINC000185446499 455558857 /nfs/dbraw/zinc/55/88/57/455558857.db2.gz CDDJHRAUMGIGDT-GFCCVEGCSA-N 0 3 348.830 3.135 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000185442498 455558932 /nfs/dbraw/zinc/55/89/32/455558932.db2.gz ZHBZQHXYLXDUDY-QWHCGFSZSA-N 0 3 336.432 3.061 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c1 ZINC000185660604 455591254 /nfs/dbraw/zinc/59/12/54/455591254.db2.gz JYADTGQQPDIERM-LBPRGKRZSA-N 0 3 338.448 3.355 20 10 EGCDHN CCCn1ccnc1CCC[N@H+](C)Cc1cc(OC)c(OC)cc1[O-] ZINC000277635494 455620198 /nfs/dbraw/zinc/62/01/98/455620198.db2.gz KQQLZFGHXHWQAW-UHFFFAOYSA-N 0 3 347.459 3.081 20 10 EGCDHN CCCn1ccnc1CCC[N@@H+](C)Cc1cc(OC)c(OC)cc1[O-] ZINC000277635494 455620202 /nfs/dbraw/zinc/62/02/02/455620202.db2.gz KQQLZFGHXHWQAW-UHFFFAOYSA-N 0 3 347.459 3.081 20 10 EGCDHN COc1ccccc1N1CC[C@H](N[C@H](C)c2cc(C)ccc2O)C1=O ZINC000186102012 455694331 /nfs/dbraw/zinc/69/43/31/455694331.db2.gz XMUGTEXEUIPZFH-ZBFHGGJFSA-N 0 3 340.423 3.165 20 10 EGCDHN CC[C@@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1[O-] ZINC000186303472 455738123 /nfs/dbraw/zinc/73/81/23/455738123.db2.gz SCEPVJKHWRBXMG-IEBWSBKVSA-N 0 3 338.451 3.482 20 10 EGCDHN Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCCN(c3ccnn3C)C2)c([O-])c1 ZINC000284960482 455768241 /nfs/dbraw/zinc/76/82/41/455768241.db2.gz FKZOVSHZLAJMAG-HZPDHXFCSA-N 0 3 328.460 3.062 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCO[C@H](C)C2)c1[O-] ZINC000271811253 455770188 /nfs/dbraw/zinc/77/01/88/455770188.db2.gz KVMMYGBGSRRLFC-VXGBXAGGSA-N 0 3 328.250 3.368 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCCCNC(=O)OC(C)(C)C)c1 ZINC000186517800 455785086 /nfs/dbraw/zinc/78/50/86/455785086.db2.gz DLHWOBXAIUOKAC-CYBMUJFWSA-N 0 3 338.448 3.356 20 10 EGCDHN CCC1(O)CCN(Cc2ccc(N3CCC(OC)CC3)cc2)CC1 ZINC000294880544 455830983 /nfs/dbraw/zinc/83/09/83/455830983.db2.gz FMIUTLJEHKWRAA-UHFFFAOYSA-N 0 3 332.488 3.039 20 10 EGCDHN COc1cccc(C[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)c1[O-] ZINC000278875948 455851497 /nfs/dbraw/zinc/85/14/97/455851497.db2.gz ZAFDWMSBTZUYKQ-CQSZACIVSA-N 0 3 325.767 3.017 20 10 EGCDHN C[C@H]1C[N@H+](Cc2cc(F)ccc2[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000272328290 455915663 /nfs/dbraw/zinc/91/56/63/455915663.db2.gz VONLOZAXGOFUSP-SWLSCSKDSA-N 0 3 338.423 3.266 20 10 EGCDHN C[C@H]1C[N@@H+](Cc2cc(F)ccc2[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000272328290 455915669 /nfs/dbraw/zinc/91/56/69/455915669.db2.gz VONLOZAXGOFUSP-SWLSCSKDSA-N 0 3 338.423 3.266 20 10 EGCDHN C[C@@H](CO[C@@H]1CCOC1)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000280283805 455935452 /nfs/dbraw/zinc/93/54/52/455935452.db2.gz MYMLRFLCNZWNBG-SWLSCSKDSA-N 0 3 346.393 3.055 20 10 EGCDHN CC[C@@H]([NH2+]Cc1ccnc(OCCN(C)C)c1)c1ccc(F)cc1[O-] ZINC000286191319 455996972 /nfs/dbraw/zinc/99/69/72/455996972.db2.gz QVZVKGUHBCXRQL-QGZVFWFLSA-N 0 3 347.434 3.108 20 10 EGCDHN [O-]c1cccc2c1[C@H]([NH2+]CC1(N3CCCCC3)CCOCC1)CC2 ZINC000296706069 456014812 /nfs/dbraw/zinc/01/48/12/456014812.db2.gz HXMGPOGAPHKEKH-QGZVFWFLSA-N 0 3 330.472 3.004 20 10 EGCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])c1cccc(S(=O)(=O)N(C)C)c1 ZINC000272868728 456095275 /nfs/dbraw/zinc/09/52/75/456095275.db2.gz OGMFDQYTRMNDGT-KBPBESRZSA-N 0 3 348.468 3.054 20 10 EGCDHN CCC[N@H+](Cc1cc(OC)c(OC)cc1[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000271055347 456114563 /nfs/dbraw/zinc/11/45/63/456114563.db2.gz ACJURLBSIAYDKW-NIKGAXFTSA-N 0 3 349.471 3.435 20 10 EGCDHN CCC[N@@H+](Cc1cc(OC)c(OC)cc1[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000271055347 456114574 /nfs/dbraw/zinc/11/45/74/456114574.db2.gz ACJURLBSIAYDKW-NIKGAXFTSA-N 0 3 349.471 3.435 20 10 EGCDHN COc1cc([O-])c(C[NH2+]Cc2ccc3[nH]c(C)cc3c2)cc1OC ZINC000289812855 456143575 /nfs/dbraw/zinc/14/35/75/456143575.db2.gz NRZDUDVVMBAGQP-UHFFFAOYSA-N 0 3 326.396 3.489 20 10 EGCDHN COc1cc(O)c(CNCc2ccc3[nH]c(C)cc3c2)cc1OC ZINC000289812855 456143579 /nfs/dbraw/zinc/14/35/79/456143579.db2.gz NRZDUDVVMBAGQP-UHFFFAOYSA-N 0 3 326.396 3.489 20 10 EGCDHN CCN(CC)[C@@H](CNC(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC000236825710 456188108 /nfs/dbraw/zinc/18/81/08/456188108.db2.gz CARFPIYMCFMGTJ-IBGZPJMESA-N 0 3 325.456 3.011 20 10 EGCDHN C[C@H]([NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1)c1cc(Cl)ccc1[O-] ZINC000273480062 456233152 /nfs/dbraw/zinc/23/31/52/456233152.db2.gz LVLFOCFTUUSPHC-ULFGMLNVSA-N 0 3 338.879 3.074 20 10 EGCDHN COc1cc(OC)cc([C@H](O)C[NH2+][C@@H](C)c2ccc(C)c(C)c2[O-])c1 ZINC000273552526 456237184 /nfs/dbraw/zinc/23/71/84/456237184.db2.gz GDVPYBWJCSMLRL-IFXJQAMLSA-N 0 3 345.439 3.410 20 10 EGCDHN C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccc(N2CCCNC2=O)cc1 ZINC000291029317 456501864 /nfs/dbraw/zinc/50/18/64/456501864.db2.gz DUILYRWDWVITPB-CYBMUJFWSA-N 0 3 343.402 3.302 20 10 EGCDHN C[C@@H](Cn1cccn1)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000282614821 456570022 /nfs/dbraw/zinc/57/00/22/456570022.db2.gz NUBSXJLXPWGGSF-INIZCTEOSA-N 0 3 337.423 3.346 20 10 EGCDHN O=C(NCc1ccccc1O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000299557254 456727209 /nfs/dbraw/zinc/72/72/09/456727209.db2.gz YYJJOPSSURBDAF-SFHVURJKSA-N 0 3 339.439 3.029 20 10 EGCDHN C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCOC2)C1)c1cc2c(cc1[O-])CCCC2 ZINC000369901171 457451623 /nfs/dbraw/zinc/45/16/23/457451623.db2.gz FJZKMQPUUVLWLK-NQYLQCIDSA-N 0 3 331.456 3.260 20 10 EGCDHN COc1ccc([O-])c(C[NH2+]C[C@H]2CCCN(c3ccccc3)C2)c1 ZINC000366021370 457789175 /nfs/dbraw/zinc/78/91/75/457789175.db2.gz AIXXCMYDBXSHPH-MRXNPFEDSA-N 0 3 326.440 3.407 20 10 EGCDHN C[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)CC2(CCOCC2)O1 ZINC000366731676 457893335 /nfs/dbraw/zinc/89/33/35/457893335.db2.gz USJVDBYZDFCDNF-GOSISDBHSA-N 0 3 344.499 3.447 20 10 EGCDHN CC[C@@H](N[C@@H]1CCCc2c1cnn2CCO)c1ccc(N(C)C)cc1 ZINC000368564788 458045939 /nfs/dbraw/zinc/04/59/39/458045939.db2.gz VSMYVYCEAAXKMB-RTBURBONSA-N 0 3 342.487 3.060 20 10 EGCDHN Cn1cncc1CNCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000377729207 458512460 /nfs/dbraw/zinc/51/24/60/458512460.db2.gz XPKAKRGFIYKWKJ-UHFFFAOYSA-N 0 3 332.451 3.273 20 10 EGCDHN Cc1c2ccccc2n(C)c1CNC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000472219727 458775465 /nfs/dbraw/zinc/77/54/65/458775465.db2.gz HLAIIXOHAJKERA-ZBFHGGJFSA-N 0 3 342.487 3.111 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+][C@H]2Cc3ccccc3NC2=O)c2c1c(F)ccc2[O-] ZINC000528002970 459793871 /nfs/dbraw/zinc/79/38/71/459793871.db2.gz UIIPBHWWCOGJOU-KMUNFCNLSA-N 0 3 326.371 3.233 20 10 EGCDHN [O-]c1ccc2ccncc2c1CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000738267870 574552264 /nfs/dbraw/zinc/55/22/64/574552264.db2.gz AKBFILRZGWVSJB-UHFFFAOYSA-N 0 3 325.456 3.391 20 10 EGCDHN [O-]c1ccc2ccncc2c1CN1CCC[N@H+](C2CCCC2)CC1 ZINC000738267870 574552265 /nfs/dbraw/zinc/55/22/65/574552265.db2.gz AKBFILRZGWVSJB-UHFFFAOYSA-N 0 3 325.456 3.391 20 10 EGCDHN [O-]c1ccc2ccncc2c1C[N@@H+]1CCCN(C2CCCC2)CC1 ZINC000738267870 574552267 /nfs/dbraw/zinc/55/22/67/574552267.db2.gz AKBFILRZGWVSJB-UHFFFAOYSA-N 0 3 325.456 3.391 20 10 EGCDHN [O-]c1ccc2ccncc2c1C[N@H+]1CCCN(C2CCCC2)CC1 ZINC000738267870 574552268 /nfs/dbraw/zinc/55/22/68/574552268.db2.gz AKBFILRZGWVSJB-UHFFFAOYSA-N 0 3 325.456 3.391 20 10 EGCDHN CN1CCCc2cc(CNC[C@H](O)c3ccc(F)cc3F)ccc21 ZINC000727643609 574680196 /nfs/dbraw/zinc/68/01/96/574680196.db2.gz FTUWTLMMBNJPJG-IBGZPJMESA-N 0 3 332.394 3.170 20 10 EGCDHN CC(C)[C@@](C)(O)CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000732817961 575289734 /nfs/dbraw/zinc/28/97/34/575289734.db2.gz KQVMJKPYWPYORO-SFHVURJKSA-N 0 3 335.448 3.082 20 10 EGCDHN COc1cc(CNCc2ccccc2O)c(Br)cc1O ZINC000733327401 575328014 /nfs/dbraw/zinc/32/80/14/575328014.db2.gz QFIGLJIFBXLGJL-UHFFFAOYSA-N 0 3 338.201 3.159 20 10 EGCDHN CCOc1ccc(C[NH2+]CCc2nc3c(cccc3F)n2C)c([O-])c1 ZINC000733334534 575328568 /nfs/dbraw/zinc/32/85/68/575328568.db2.gz LPTMGAFTAHOPBM-UHFFFAOYSA-N 0 3 343.402 3.149 20 10 EGCDHN Cc1n[nH]c(C)c1NC(=O)CN(Cc1ccccc1O)C1CCCC1 ZINC000733613806 575375311 /nfs/dbraw/zinc/37/53/11/575375311.db2.gz MEGFPFRUCFBFFP-UHFFFAOYSA-N 0 3 342.443 3.115 20 10 EGCDHN CC[C@@H]1CCCCN1CCNC(=O)NCc1ccc(N(C)C)cc1C ZINC000734530108 575509697 /nfs/dbraw/zinc/50/96/97/575509697.db2.gz CQGZQDORCYKFLU-GOSISDBHSA-N 0 3 346.519 3.125 20 10 EGCDHN C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cc([O-])cs2)CC1 ZINC000734864691 575564802 /nfs/dbraw/zinc/56/48/02/575564802.db2.gz GXUKXZZRASNPQM-ZDUSSCGKSA-N 0 3 330.453 3.409 20 10 EGCDHN C[C@@H](c1ccccc1)N1CCC(NC(=O)C2=CC(=O)CS2)CC1 ZINC000734864691 575564806 /nfs/dbraw/zinc/56/48/06/575564806.db2.gz GXUKXZZRASNPQM-ZDUSSCGKSA-N 0 3 330.453 3.409 20 10 EGCDHN CCOc1ccc(C[NH2+]C2(C(=O)N(CC)CC)CCCCC2)c([O-])c1 ZINC000736639277 575996819 /nfs/dbraw/zinc/99/68/19/575996819.db2.gz POEUYCFANCAHAJ-UHFFFAOYSA-N 0 3 348.487 3.452 20 10 EGCDHN CO[C@H](CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(C)C ZINC000744448723 576828701 /nfs/dbraw/zinc/82/87/01/576828701.db2.gz NLJPWGBJVPAWDI-GOSISDBHSA-N 0 3 335.448 3.346 20 10 EGCDHN CN(C)C1(C[N@H+](C)Cc2ccc(Br)cc2[O-])CCC1 ZINC000691680913 1298135166 /nfs/dbraw/zinc/13/51/66/1298135166.db2.gz WOLNKFRPAHEKKY-UHFFFAOYSA-N 0 3 327.266 3.071 20 10 EGCDHN CN(C)C1(C[N@@H+](C)Cc2ccc(Br)cc2[O-])CCC1 ZINC000691680913 1298135174 /nfs/dbraw/zinc/13/51/74/1298135174.db2.gz WOLNKFRPAHEKKY-UHFFFAOYSA-N 0 3 327.266 3.071 20 10 EGCDHN CC(C)(NCc1ccc(N2CCCCC2)cc1)C(=O)N1CCCC1 ZINC000793395460 1309363481 /nfs/dbraw/zinc/36/34/81/1309363481.db2.gz PRMFJZUGJVDKLF-UHFFFAOYSA-N 0 3 329.488 3.168 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+][C@@H](CO)CC2CCCCC2)c1[O-] ZINC000841894512 1321328551 /nfs/dbraw/zinc/32/85/51/1321328551.db2.gz XUTHSAFVMQWZTP-OAHLLOKOSA-N 0 3 327.852 3.475 20 10 EGCDHN C[C@@H](C[NH2+]Cc1cccc(Br)c1[O-])CN1CCCCC1 ZINC000048797560 1291618254 /nfs/dbraw/zinc/61/82/54/1291618254.db2.gz HAIVQMTYHHMXQE-ZDUSSCGKSA-N 0 3 341.293 3.366 20 10 EGCDHN COCCC[N@H+](CCOC)Cc1c([O-])ccc2ccc(OC)cc21 ZINC000068963720 1292224045 /nfs/dbraw/zinc/22/40/45/1292224045.db2.gz XDTDKJQBGIPXBI-UHFFFAOYSA-N 0 3 333.428 3.039 20 10 EGCDHN COCCC[N@@H+](CCOC)Cc1c([O-])ccc2ccc(OC)cc21 ZINC000068963720 1292224052 /nfs/dbraw/zinc/22/40/52/1292224052.db2.gz XDTDKJQBGIPXBI-UHFFFAOYSA-N 0 3 333.428 3.039 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC2(COC2)C1 ZINC000827645271 1292351198 /nfs/dbraw/zinc/35/11/98/1292351198.db2.gz UDSVTOWVLFKOQA-UHFFFAOYSA-N 0 3 325.408 3.194 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CCC2(COC2)C1 ZINC000827645271 1292351208 /nfs/dbraw/zinc/35/12/08/1292351208.db2.gz UDSVTOWVLFKOQA-UHFFFAOYSA-N 0 3 325.408 3.194 20 10 EGCDHN Cc1cc(CN2CCc3n[nH]c(=O)cc3C2)ccc1N1CCCCC1 ZINC000828953127 1292521444 /nfs/dbraw/zinc/52/14/44/1292521444.db2.gz FCTAHGCRFFAOKJ-UHFFFAOYSA-N 0 3 338.455 3.039 20 10 EGCDHN COCC1CCN(Cc2cc(Br)cc(OC)c2O)CC1 ZINC000093103488 1292907058 /nfs/dbraw/zinc/90/70/58/1292907058.db2.gz VWDBHFOPNLLYJX-UHFFFAOYSA-N 0 3 344.249 3.022 20 10 EGCDHN Cn1cc(CCC[N@H+](Cc2ccco2)Cc2ccccc2[O-])cn1 ZINC000111232862 1293101580 /nfs/dbraw/zinc/10/15/80/1293101580.db2.gz GFBWDAPCLVVSPV-UHFFFAOYSA-N 0 3 325.412 3.354 20 10 EGCDHN Cn1cc(CCC[N@@H+](Cc2ccco2)Cc2ccccc2[O-])cn1 ZINC000111232862 1293101583 /nfs/dbraw/zinc/10/15/83/1293101583.db2.gz GFBWDAPCLVVSPV-UHFFFAOYSA-N 0 3 325.412 3.354 20 10 EGCDHN C[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)C(=O)N1c2ccccc2C[C@H]1C ZINC000834903039 1293170351 /nfs/dbraw/zinc/17/03/51/1293170351.db2.gz HKHMGMHPYMJKFE-KEYYUXOJSA-N 0 3 336.435 3.335 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@H](c3nccn3C)C2)c2c1c(F)ccc2[O-] ZINC000834910285 1293173959 /nfs/dbraw/zinc/17/39/59/1293173959.db2.gz CSDAVZZBGVBEOB-TWJWRFFLSA-N 0 3 345.418 3.323 20 10 EGCDHN CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000119493451 1293274183 /nfs/dbraw/zinc/27/41/83/1293274183.db2.gz SYZWSDYKMPULDE-CABCVRRESA-N 0 3 338.423 3.457 20 10 EGCDHN Cc1nc(CC[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cs1 ZINC000128380915 1293591486 /nfs/dbraw/zinc/59/14/86/1293591486.db2.gz DCWYLFOPDIIKDC-KRWDZBQOSA-N 0 3 332.469 3.381 20 10 EGCDHN Cc1nc(CC[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cs1 ZINC000128380915 1293591488 /nfs/dbraw/zinc/59/14/88/1293591488.db2.gz DCWYLFOPDIIKDC-KRWDZBQOSA-N 0 3 332.469 3.381 20 10 EGCDHN Cc1cc(CN2CCN(c3cnn(C)c3)CC2)c(O)c(C(C)(C)C)c1 ZINC000173902604 1294473554 /nfs/dbraw/zinc/47/35/54/1294473554.db2.gz VYEXQVGCVOCDSL-UHFFFAOYSA-N 0 3 342.487 3.054 20 10 EGCDHN C[N@H+](CCn1cccn1)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183068885 1295097116 /nfs/dbraw/zinc/09/71/16/1295097116.db2.gz VNMYGRPOXBZNHW-UHFFFAOYSA-N 0 3 337.423 3.300 20 10 EGCDHN C[N@@H+](CCn1cccn1)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183068885 1295097125 /nfs/dbraw/zinc/09/71/25/1295097125.db2.gz VNMYGRPOXBZNHW-UHFFFAOYSA-N 0 3 337.423 3.300 20 10 EGCDHN C[C@@H](C[NH2+][C@@H](C)c1ccccc1[O-])N1CCN(c2ccccc2)CC1 ZINC000183417484 1295117712 /nfs/dbraw/zinc/11/77/12/1295117712.db2.gz PLOZKFQOHCOOGE-ROUUACIJSA-N 0 3 339.483 3.254 20 10 EGCDHN C[C@H]([NH2+]CCCNC(=O)c1cccc(F)c1)c1cc(F)ccc1[O-] ZINC000186016169 1295299081 /nfs/dbraw/zinc/29/90/81/1295299081.db2.gz CHIAIFPVTYCWJZ-LBPRGKRZSA-N 0 3 334.366 3.141 20 10 EGCDHN O=C1CC2(CN1)CC[NH+](Cc1cc(-c3ccccc3)ccc1[O-])CC2 ZINC000271180087 1296706773 /nfs/dbraw/zinc/70/67/73/1296706773.db2.gz KZBCDZRJKQRAJN-UHFFFAOYSA-N 0 3 336.435 3.161 20 10 EGCDHN CC[C@@H]([NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)c1ccccc1[O-] ZINC000702555050 1298195741 /nfs/dbraw/zinc/19/57/41/1298195741.db2.gz YKBLNBXNRJWGPE-TZIWHRDSSA-N 0 3 340.467 3.070 20 10 EGCDHN Cc1cccc([O-])c1C[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000876583175 1298846813 /nfs/dbraw/zinc/84/68/13/1298846813.db2.gz GTRMGMBQCNJBBO-UHFFFAOYSA-N 0 3 334.460 3.437 20 10 EGCDHN Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c([O-])c1 ZINC000876736196 1298946526 /nfs/dbraw/zinc/94/65/26/1298946526.db2.gz TXVKHLXFGJRPRP-HOCLYGCPSA-N 0 3 334.460 3.436 20 10 EGCDHN Cc1ccc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c([O-])c1 ZINC000876736196 1298946530 /nfs/dbraw/zinc/94/65/30/1298946530.db2.gz TXVKHLXFGJRPRP-HOCLYGCPSA-N 0 3 334.460 3.436 20 10 EGCDHN CCN(C[C@@H]1CC[N@H+](Cc2ccc(C)cc2[O-])C1)CC(F)(F)F ZINC000876782665 1298981805 /nfs/dbraw/zinc/98/18/05/1298981805.db2.gz RLNAIQFSGGOJMG-AWEZNQCLSA-N 0 3 330.394 3.407 20 10 EGCDHN CCN(C[C@@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])C1)CC(F)(F)F ZINC000876782665 1298981816 /nfs/dbraw/zinc/98/18/16/1298981816.db2.gz RLNAIQFSGGOJMG-AWEZNQCLSA-N 0 3 330.394 3.407 20 10 EGCDHN Cc1ccc(CNc2ccc(N3CCN(C)CC3)cc2C)c(O)c1 ZINC000876818675 1299011691 /nfs/dbraw/zinc/01/16/91/1299011691.db2.gz WXBZVLNCGVASLB-UHFFFAOYSA-N 0 3 325.456 3.373 20 10 EGCDHN Cc1cccc(O)c1CNc1cccc(CN2CCN(C)CC2)c1 ZINC000876824235 1299016551 /nfs/dbraw/zinc/01/65/51/1299016551.db2.gz YMVJIGCTZYXDBB-UHFFFAOYSA-N 0 3 325.456 3.060 20 10 EGCDHN Cc1cccc(O)c1CNCc1cccnc1OCC(F)(F)F ZINC000876926425 1299070193 /nfs/dbraw/zinc/07/01/93/1299070193.db2.gz UVOCYSMGHXHRET-UHFFFAOYSA-N 0 3 326.318 3.327 20 10 EGCDHN COc1ccccc1N1CC[C@@H](C[NH2+]Cc2c(C)cccc2[O-])C1 ZINC000876999349 1299108752 /nfs/dbraw/zinc/10/87/52/1299108752.db2.gz SVPJJPPIMJQZTA-INIZCTEOSA-N 0 3 326.440 3.325 20 10 EGCDHN CCc1cnccc1[C@H](C)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877134281 1299173439 /nfs/dbraw/zinc/17/34/39/1299173439.db2.gz OLJGROKBKVLXCZ-INIZCTEOSA-N 0 3 339.483 3.456 20 10 EGCDHN Cc1ccc(C(=O)NC2CC[NH+](Cc3cc(F)ccc3[O-])CC2)cc1 ZINC000877675199 1299471153 /nfs/dbraw/zinc/47/11/53/1299471153.db2.gz ZNCXQWSLWBCJLG-UHFFFAOYSA-N 0 3 342.414 3.234 20 10 EGCDHN Cc1cc(Br)cc(C[NH+]2CCC(C(C)(C)O)CC2)c1[O-] ZINC000877754027 1299529655 /nfs/dbraw/zinc/52/96/55/1299529655.db2.gz RKTLWZJZGBFZMY-UHFFFAOYSA-N 0 3 342.277 3.446 20 10 EGCDHN Cc1cc(Br)cc(CN2CCC(C(C)(C)O)CC2)c1O ZINC000877754027 1299529658 /nfs/dbraw/zinc/52/96/58/1299529658.db2.gz RKTLWZJZGBFZMY-UHFFFAOYSA-N 0 3 342.277 3.446 20 10 EGCDHN C[C@H]1C[C@H]([NH2+]CCNC(=O)c2ccc(F)cc2)c2c1c(F)ccc2[O-] ZINC000756454227 1300495023 /nfs/dbraw/zinc/49/50/23/1300495023.db2.gz KNZQPKBBFXQSQG-NHYWBVRUSA-N 0 3 346.377 3.238 20 10 EGCDHN COc1ccc(O)c([C@@H](C)N[C@H](CC(=O)N(C)C)c2ccccc2)c1 ZINC000756454300 1300495040 /nfs/dbraw/zinc/49/50/40/1300495040.db2.gz LERKIRFSJJWAIB-RDTXWAMCSA-N 0 3 342.439 3.271 20 10 EGCDHN COc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(C)cc2[O-])ccc1OCCO ZINC000756455215 1300495831 /nfs/dbraw/zinc/49/58/31/1300495831.db2.gz BOBXIQZDAOXHNN-HUUCEWRRSA-N 0 3 345.439 3.492 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccccc2)c2c1c(F)ccc2[O-] ZINC000756455582 1300496508 /nfs/dbraw/zinc/49/65/08/1300496508.db2.gz KINBHMGRJQXRRJ-IUODEOHRSA-N 0 3 349.427 3.143 20 10 EGCDHN C[C@H]([NH2+]CCNC(=O)c1ccc(Cl)cc1)c1cc(F)ccc1[O-] ZINC000756477599 1300501192 /nfs/dbraw/zinc/50/11/92/1300501192.db2.gz BSMLTEFQFKPSJI-NSHDSACASA-N 0 3 336.794 3.265 20 10 EGCDHN C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cc(F)cc(F)c1[O-] ZINC000756482872 1300503412 /nfs/dbraw/zinc/50/34/12/1300503412.db2.gz JQEKBSHVIDJVAQ-HZSPNIEDSA-N 0 3 342.430 3.210 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+]CCc2cccc(C(N)=O)c2)c2c1c(F)ccc2[O-] ZINC000756682472 1300547422 /nfs/dbraw/zinc/54/74/22/1300547422.db2.gz DMTNKCOMGHVEPL-ABAIWWIYSA-N 0 3 328.387 3.011 20 10 EGCDHN C[C@H]1C[C@H]([NH2+]CC(=O)NCCc2ccccc2)c2c1c(F)ccc2[O-] ZINC000756818534 1300570472 /nfs/dbraw/zinc/57/04/72/1300570472.db2.gz PPCHBXVRNWSEQI-BBRMVZONSA-N 0 3 342.414 3.028 20 10 EGCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)NCc1ccc(Cl)cc1 ZINC000879649068 1300650182 /nfs/dbraw/zinc/65/01/82/1300650182.db2.gz LAUJBQBXLGEOMA-CHWSQXEVSA-N 0 3 332.831 3.401 20 10 EGCDHN Cc1cc(CN2CCCN(C(=O)CC(C)C)CC2)ccc1N(C)C ZINC000879761287 1300725522 /nfs/dbraw/zinc/72/55/22/1300725522.db2.gz AYWNNEIJHGQNEM-UHFFFAOYSA-N 0 3 331.504 3.141 20 10 EGCDHN CCCCCCN1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000759885223 1301184000 /nfs/dbraw/zinc/18/40/00/1301184000.db2.gz ASFLBDFXXNYQCJ-UHFFFAOYSA-N 0 3 336.476 3.415 20 10 EGCDHN C[C@@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1(C)C ZINC000759920494 1301190015 /nfs/dbraw/zinc/19/00/15/1301190015.db2.gz FFGFKOMEFHEMIR-MRXNPFEDSA-N 0 3 331.504 3.079 20 10 EGCDHN CC[C@@H](NCc1ccc(OCCOC)nc1)c1ccc(N(C)C)cc1 ZINC000764990166 1302182318 /nfs/dbraw/zinc/18/23/18/1302182318.db2.gz VACMFVAQMVZLOU-LJQANCHMSA-N 0 3 343.471 3.414 20 10 EGCDHN COCCOc1ccc([C@@H](C)NCc2ccc3c(c2)CCO3)cc1 ZINC000765607371 1302289301 /nfs/dbraw/zinc/28/93/01/1302289301.db2.gz CIMKTOQEDUPDKM-OAHLLOKOSA-N 0 3 327.424 3.498 20 10 EGCDHN CCOc1ccc(CN[C@H](C[S@@](C)=O)c2ccccc2)c(O)c1 ZINC000765639751 1302293590 /nfs/dbraw/zinc/29/35/90/1302293590.db2.gz VKAHPGDXNFOXDK-UZUQRXQVSA-N 0 3 333.453 3.000 20 10 EGCDHN CC[C@@H](NCc1ccc(N2CCCCC2)cc1)[C@H](O)C(F)(F)F ZINC000765786771 1302326844 /nfs/dbraw/zinc/32/68/44/1302326844.db2.gz IQGCNKFAFKOLME-CVEARBPZSA-N 0 3 330.394 3.468 20 10 EGCDHN CCN1C[C@@H](CN(C)Cc2c(O)cccc2OC)Oc2ccccc21 ZINC000768214094 1302857195 /nfs/dbraw/zinc/85/71/95/1302857195.db2.gz ZOPVDCMWSPRBBK-OAHLLOKOSA-N 0 3 342.439 3.120 20 10 EGCDHN Cc1ccc(C2=CC[N@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)CC2)cc1 ZINC000768440699 1302904912 /nfs/dbraw/zinc/90/49/12/1302904912.db2.gz BYFYXHZTPXQJCJ-FQEVSTJZSA-N 0 3 337.419 3.416 20 10 EGCDHN Cc1ccc(C2=CC[N@@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)CC2)cc1 ZINC000768440699 1302904920 /nfs/dbraw/zinc/90/49/20/1302904920.db2.gz BYFYXHZTPXQJCJ-FQEVSTJZSA-N 0 3 337.419 3.416 20 10 EGCDHN C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768447897 1302905922 /nfs/dbraw/zinc/90/59/22/1302905922.db2.gz RGIOVUAWEDQXIN-WTANOLMUSA-N 0 3 325.408 3.196 20 10 EGCDHN C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768447897 1302905931 /nfs/dbraw/zinc/90/59/31/1302905931.db2.gz RGIOVUAWEDQXIN-WTANOLMUSA-N 0 3 325.408 3.196 20 10 EGCDHN CC[C@H](c1ccncc1)[N@H+](CC)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768446220 1302906048 /nfs/dbraw/zinc/90/60/48/1302906048.db2.gz LDUKLTYZYDYXQT-AEFFLSMTSA-N 0 3 328.412 3.186 20 10 EGCDHN CC[C@H](c1ccncc1)[N@@H+](CC)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768446220 1302906058 /nfs/dbraw/zinc/90/60/58/1302906058.db2.gz LDUKLTYZYDYXQT-AEFFLSMTSA-N 0 3 328.412 3.186 20 10 EGCDHN Cc1ccc(C[C@@H]2CCC[N@@H+]2Cc2cc3c(cc2[O-])OC[C@H]3O)cc1 ZINC000768444459 1302906787 /nfs/dbraw/zinc/90/67/87/1302906787.db2.gz BMBFEAXQLHZNCD-FXAWDEMLSA-N 0 3 339.435 3.334 20 10 EGCDHN Cc1ccc(C[C@@H]2CCC[N@H+]2Cc2cc3c(cc2[O-])OC[C@H]3O)cc1 ZINC000768444459 1302906794 /nfs/dbraw/zinc/90/67/94/1302906794.db2.gz BMBFEAXQLHZNCD-FXAWDEMLSA-N 0 3 339.435 3.334 20 10 EGCDHN Cc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768445674 1302907692 /nfs/dbraw/zinc/90/76/92/1302907692.db2.gz GMNICPZNLCFYDB-FXAWDEMLSA-N 0 3 339.435 3.334 20 10 EGCDHN Cc1ccccc1C[C@@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768445674 1302907702 /nfs/dbraw/zinc/90/77/02/1302907702.db2.gz GMNICPZNLCFYDB-FXAWDEMLSA-N 0 3 339.435 3.334 20 10 EGCDHN COc1cc(CN2CCC(C(=O)OC(C)(C)C)CC2)c(O)cc1C ZINC000768451013 1302909583 /nfs/dbraw/zinc/90/95/83/1302909583.db2.gz LIQXOWIHJFHKMX-UHFFFAOYSA-N 0 3 335.444 3.263 20 10 EGCDHN CCCNC(=O)[C@@H]1CCCN(Cc2ccc(N(CC)CC)c(F)c2)C1 ZINC000769216263 1303074448 /nfs/dbraw/zinc/07/44/48/1303074448.db2.gz GUSFGXHDXTVDEL-QGZVFWFLSA-N 0 3 349.494 3.410 20 10 EGCDHN CCN(C[C@H]1CC[N@H+](Cc2c([O-])cccc2OC)C1)CC(F)(F)F ZINC000769517192 1303133720 /nfs/dbraw/zinc/13/37/20/1303133720.db2.gz ZWCFMIDFIAGNEU-CYBMUJFWSA-N 0 3 346.393 3.107 20 10 EGCDHN CCN(C[C@H]1CC[N@@H+](Cc2c([O-])cccc2OC)C1)CC(F)(F)F ZINC000769517192 1303133721 /nfs/dbraw/zinc/13/37/21/1303133721.db2.gz ZWCFMIDFIAGNEU-CYBMUJFWSA-N 0 3 346.393 3.107 20 10 EGCDHN CCOC(=O)CC[C@H]1CCC[N@H+](Cc2ccc(OCC)cc2[O-])C1 ZINC000770383581 1303258522 /nfs/dbraw/zinc/25/85/22/1303258522.db2.gz PQZSXBVCERAPSP-OAHLLOKOSA-N 0 3 335.444 3.346 20 10 EGCDHN CCOC(=O)CC[C@H]1CCC[N@@H+](Cc2ccc(OCC)cc2[O-])C1 ZINC000770383581 1303258523 /nfs/dbraw/zinc/25/85/23/1303258523.db2.gz PQZSXBVCERAPSP-OAHLLOKOSA-N 0 3 335.444 3.346 20 10 EGCDHN CCOc1ccc(CN2CCN(C)C[C@H]2c2ccccc2)c(O)c1 ZINC000771935577 1303463420 /nfs/dbraw/zinc/46/34/20/1303463420.db2.gz YHXOGYPJJBVIHE-IBGZPJMESA-N 0 3 326.440 3.280 20 10 EGCDHN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000772827787 1303583674 /nfs/dbraw/zinc/58/36/74/1303583674.db2.gz KAITVLSAWLBYRM-JXFKEZNVSA-N 0 3 337.467 3.389 20 10 EGCDHN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000772827787 1303583681 /nfs/dbraw/zinc/58/36/81/1303583681.db2.gz KAITVLSAWLBYRM-JXFKEZNVSA-N 0 3 337.467 3.389 20 10 EGCDHN CCN(C)c1ccc(CN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000773887931 1303751472 /nfs/dbraw/zinc/75/14/72/1303751472.db2.gz JTMYTCHWJSAXCN-GDBMZVCRSA-N 0 3 330.394 3.278 20 10 EGCDHN C[C@H](N[C@@H](Cc1ccc(Cl)cc1)C(N)=O)c1ccc(N(C)C)cc1 ZINC000774482743 1303815144 /nfs/dbraw/zinc/81/51/44/1303815144.db2.gz MJWOABZZPWLFST-UGSOOPFHSA-N 0 3 345.874 3.153 20 10 EGCDHN CC(C)n1nccc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774486132 1303816352 /nfs/dbraw/zinc/81/63/52/1303816352.db2.gz WAUODIRBGJHGNA-GJZGRUSLSA-N 0 3 343.475 3.208 20 10 EGCDHN CN1CCN(c2ccc(CN3CCc4c(F)cccc4C3)cc2)CC1 ZINC000775688814 1304015939 /nfs/dbraw/zinc/01/59/39/1304015939.db2.gz BKUNLZCYJSCJKS-UHFFFAOYSA-N 0 3 339.458 3.136 20 10 EGCDHN C[C@@H](NCC(=O)N([C@@H](C)C1CC1)C1CC1)c1ccc(N(C)C)cc1 ZINC000775830652 1304045178 /nfs/dbraw/zinc/04/51/78/1304045178.db2.gz MFTYHGSVADRSTD-CABCVRRESA-N 0 3 329.488 3.193 20 10 EGCDHN CO[C@@H](C[NH2+]Cc1cc(Br)cc(C)c1[O-])C(F)(F)F ZINC000776174300 1304107261 /nfs/dbraw/zinc/10/72/61/1304107261.db2.gz LWMIVDAJGSYJMG-JTQLQIEISA-N 0 3 342.155 3.130 20 10 EGCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000778995601 1304516102 /nfs/dbraw/zinc/51/61/02/1304516102.db2.gz ZTLDFWQLBADJGE-UHFFFAOYSA-N 0 3 332.394 3.378 20 10 EGCDHN [O-]c1ccc(F)cc1C[N@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000778995601 1304516106 /nfs/dbraw/zinc/51/61/06/1304516106.db2.gz ZTLDFWQLBADJGE-UHFFFAOYSA-N 0 3 332.394 3.378 20 10 EGCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2CC23CCCC3)N(C)C)cc1 ZINC000891252656 1305000729 /nfs/dbraw/zinc/00/07/29/1305000729.db2.gz LWNGBFWGZCFWSE-MSOLQXFVSA-N 0 3 329.488 3.052 20 10 EGCDHN CCOc1ccc(CN(C)Cc2ccc(OC)c(OC)c2O)cc1 ZINC000891468567 1305059323 /nfs/dbraw/zinc/05/93/23/1305059323.db2.gz BIFPYRBMLRZKFE-UHFFFAOYSA-N 0 3 331.412 3.440 20 10 EGCDHN COc1ccc(N2CCCN(Cc3cnn(C)c3C3CC3)CC2)cc1 ZINC000891774993 1305161682 /nfs/dbraw/zinc/16/16/82/1305161682.db2.gz ICBRNPYLULMGCC-UHFFFAOYSA-N 0 3 340.471 3.018 20 10 EGCDHN COc1cc(C)cc(CN2CCN(c3ccc(C)cc3)CC2)c1O ZINC000784013837 1305176508 /nfs/dbraw/zinc/17/65/08/1305176508.db2.gz NXTAUESLPBJWFQ-UHFFFAOYSA-N 0 3 326.440 3.340 20 10 EGCDHN CCOc1ccc(C[N@@H+]2CCCN(c3ncccc3F)CC2)c([O-])c1 ZINC000784675979 1305271121 /nfs/dbraw/zinc/27/11/21/1305271121.db2.gz PTPCAFKVTYAFSG-UHFFFAOYSA-N 0 3 345.418 3.037 20 10 EGCDHN CCOc1ccc(C[N@H+]2CCCN(c3ncccc3F)CC2)c([O-])c1 ZINC000784675979 1305271129 /nfs/dbraw/zinc/27/11/29/1305271129.db2.gz PTPCAFKVTYAFSG-UHFFFAOYSA-N 0 3 345.418 3.037 20 10 EGCDHN CCOc1ccc(CN2CCCN(c3ncccc3F)CC2)c(O)c1 ZINC000784675979 1305271133 /nfs/dbraw/zinc/27/11/33/1305271133.db2.gz PTPCAFKVTYAFSG-UHFFFAOYSA-N 0 3 345.418 3.037 20 10 EGCDHN CCC(=O)Nc1cccc(CNCc2ccc(OC)c(OC)c2O)c1 ZINC000892607853 1305468229 /nfs/dbraw/zinc/46/82/29/1305468229.db2.gz MTYBGUBTTNQALD-UHFFFAOYSA-N 0 3 344.411 3.048 20 10 EGCDHN C[C@H](NCc1ccc2c(c1)CCO2)c1ccc(N2CCNC2=O)cc1 ZINC000786821993 1305636348 /nfs/dbraw/zinc/63/63/48/1305636348.db2.gz RPZDJDRSQGUAGM-AWEZNQCLSA-N 0 3 337.423 3.002 20 10 EGCDHN CCOc1ccc(C[N@H+](C)[C@@H](COC)Cc2ccccc2)c([O-])c1 ZINC000789586810 1306188904 /nfs/dbraw/zinc/18/89/04/1306188904.db2.gz QDGRPQXRUJXYQE-GOSISDBHSA-N 0 3 329.440 3.480 20 10 EGCDHN CCOc1ccc(C[N@@H+](C)[C@@H](COC)Cc2ccccc2)c([O-])c1 ZINC000789586810 1306188909 /nfs/dbraw/zinc/18/89/09/1306188909.db2.gz QDGRPQXRUJXYQE-GOSISDBHSA-N 0 3 329.440 3.480 20 10 EGCDHN COc1cccc(CNCc2cnc(CC(F)(F)F)s2)c1O ZINC000894458408 1308900860 /nfs/dbraw/zinc/90/08/60/1308900860.db2.gz QOIZAODVGOBCSV-UHFFFAOYSA-N 0 3 332.347 3.252 20 10 EGCDHN COc1ccc(CNCc2c(F)cccc2N2CCCC2)c(O)c1 ZINC000793387600 1309362385 /nfs/dbraw/zinc/36/23/85/1309362385.db2.gz IIFVXSKVSMBYGP-UHFFFAOYSA-N 0 3 330.403 3.430 20 10 EGCDHN COc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2cccc(C)c2)c([O-])c1 ZINC000793388507 1309362447 /nfs/dbraw/zinc/36/24/47/1309362447.db2.gz PEZXWSBNIZJMOR-AWEZNQCLSA-N 0 3 328.412 3.216 20 10 EGCDHN COc1cc(C)cc(CN[C@@H](Cn2ccnc2)c2ccccc2)c1O ZINC000895705427 1309476110 /nfs/dbraw/zinc/47/61/10/1309476110.db2.gz ACGFFCJHHJDWDE-SFHVURJKSA-N 0 3 337.423 3.437 20 10 EGCDHN CC[C@H]([NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccc(C)cc1[O-] ZINC000794813303 1309600240 /nfs/dbraw/zinc/60/02/40/1309600240.db2.gz CALJPXLNUBHATM-FMKPAKJESA-N 0 3 325.474 3.097 20 10 EGCDHN CC[C@H](NCc1ccc(S(C)(=O)=O)s1)c1ccc(C)cc1O ZINC000794814587 1309600611 /nfs/dbraw/zinc/60/06/11/1309600611.db2.gz MIPWPRBCTIVFRD-AWEZNQCLSA-N 0 3 339.482 3.407 20 10 EGCDHN Cc1nc(CC2CCN(Cc3ccc(N(C)C)c(F)c3)CC2)no1 ZINC000896551463 1309912338 /nfs/dbraw/zinc/91/23/38/1309912338.db2.gz NXEWUOSTEZBQQG-UHFFFAOYSA-N 0 3 332.423 3.038 20 10 EGCDHN O=C1NCCCC[C@H]1NCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796264278 1309946752 /nfs/dbraw/zinc/94/67/52/1309946752.db2.gz MLSXCSJUELPWOI-HXUWFJFHSA-N 0 3 349.478 3.008 20 10 EGCDHN COc1cc(Cl)cc(CNCc2cnn(CC3CCC3)c2)c1O ZINC000897431151 1310335912 /nfs/dbraw/zinc/33/59/12/1310335912.db2.gz AQQHVAGYTXZCEL-UHFFFAOYSA-N 0 3 335.835 3.341 20 10 EGCDHN COC[C@]1(C[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2[O-])CCCN1 ZINC000817975848 1319484503 /nfs/dbraw/zinc/48/45/03/1319484503.db2.gz YHXUBPNYJJLOMQ-MEBBXXQBSA-N 0 3 333.259 3.118 20 10 EGCDHN [O-]c1cccc(Br)c1CN1CCC([NH2+]C2CCC2)CC1 ZINC000897978866 1310538113 /nfs/dbraw/zinc/53/81/13/1310538113.db2.gz VKKMUYKODOESSZ-UHFFFAOYSA-N 0 3 339.277 3.261 20 10 EGCDHN COc1cc(Br)cc(CN2CC[C@@H](OC)C[C@@H]2C)c1O ZINC000799738185 1310608881 /nfs/dbraw/zinc/60/88/81/1310608881.db2.gz SZWYSXGQGIZUEJ-GXFFZTMASA-N 0 3 344.249 3.163 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000827602400 1320462288 /nfs/dbraw/zinc/46/22/88/1320462288.db2.gz ONOAJROOQKKMIZ-MOPGFXCFSA-N 0 3 339.435 3.440 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000827602400 1320462290 /nfs/dbraw/zinc/46/22/90/1320462290.db2.gz ONOAJROOQKKMIZ-MOPGFXCFSA-N 0 3 339.435 3.440 20 10 EGCDHN CCC[C@H](C[NH2+]Cc1cc(Br)cc(OC)c1[O-])OCC ZINC000858209978 1328712048 /nfs/dbraw/zinc/71/20/48/1328712048.db2.gz DQJFODNSOTXPJQ-CYBMUJFWSA-N 0 3 346.265 3.458 20 10 EGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC(C)(C)N2CCOCC2)c1[O-] ZINC000808672708 1317711951 /nfs/dbraw/zinc/71/19/51/1317711951.db2.gz RPCXYXZLSAEEAJ-CYBMUJFWSA-N 0 3 326.868 3.115 20 10 EGCDHN CCOc1ccc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c([O-])c1 ZINC000809705504 1317870092 /nfs/dbraw/zinc/87/00/92/1317870092.db2.gz UVELHPNFVSVKON-OAHLLOKOSA-N 0 3 333.350 3.070 20 10 EGCDHN CCOc1ccc(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)c([O-])c1 ZINC000809705504 1317870101 /nfs/dbraw/zinc/87/01/01/1317870101.db2.gz UVELHPNFVSVKON-OAHLLOKOSA-N 0 3 333.350 3.070 20 10 EGCDHN Cc1cccc([C@H](O)C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c1 ZINC000929970403 1328752529 /nfs/dbraw/zinc/75/25/29/1328752529.db2.gz JZXSYKCPSUHQRR-PZJWPPBQSA-N 0 3 341.451 3.415 20 10 EGCDHN Cc1cccc([C@H](O)C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c1 ZINC000929970403 1328752533 /nfs/dbraw/zinc/75/25/33/1328752533.db2.gz JZXSYKCPSUHQRR-PZJWPPBQSA-N 0 3 341.451 3.415 20 10 EGCDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000812772421 1318450640 /nfs/dbraw/zinc/45/06/40/1318450640.db2.gz MFECLBPFPCUZNB-CQSZACIVSA-N 0 3 330.403 3.156 20 10 EGCDHN CC[N@@H+](Cc1cc(Br)cc(OC)c1[O-])C[C@@H](C)OC ZINC000812807420 1318460715 /nfs/dbraw/zinc/46/07/15/1318460715.db2.gz NYDQCNMYOAOXFI-SNVBAGLBSA-N 0 3 332.238 3.020 20 10 EGCDHN CC[N@H+](Cc1cc(Br)cc(OC)c1[O-])C[C@@H](C)OC ZINC000812807420 1318460720 /nfs/dbraw/zinc/46/07/20/1318460720.db2.gz NYDQCNMYOAOXFI-SNVBAGLBSA-N 0 3 332.238 3.020 20 10 EGCDHN CON(C)C(=O)[C@H](C)N[C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000858581642 1328798971 /nfs/dbraw/zinc/79/89/71/1328798971.db2.gz HMJAIDCNYBYQTQ-HOTGVXAUSA-N 0 3 333.476 3.126 20 10 EGCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCCn1cncn1 ZINC000815604952 1319026612 /nfs/dbraw/zinc/02/66/12/1319026612.db2.gz GQZSLCSEEKDNOG-LJQANCHMSA-N 0 3 336.439 3.338 20 10 EGCDHN CN(C)Cc1ccc(C(N)=O)cc1NCc1ccc2ccccc2c1O ZINC000816527329 1319176036 /nfs/dbraw/zinc/17/60/36/1319176036.db2.gz FPVNDABFIDMIBJ-UHFFFAOYSA-N 0 3 349.434 3.318 20 10 EGCDHN CCN(CC)c1ccc(CNCc2ccc3c(c2)oc(=O)n3C)cc1 ZINC000816536120 1319177163 /nfs/dbraw/zinc/17/71/63/1319177163.db2.gz MKDGAMFBZVNYLU-UHFFFAOYSA-N 0 3 339.439 3.268 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+]C[C@@]2(O)CCC[C@H]2C)c1[O-] ZINC000816661343 1319203546 /nfs/dbraw/zinc/20/35/46/1319203546.db2.gz KQLHDJOGWPFDCW-ABAIWWIYSA-N 0 3 328.250 3.104 20 10 EGCDHN COc1cccc([O-])c1C[N@@H+]1C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000817414860 1319353032 /nfs/dbraw/zinc/35/30/32/1319353032.db2.gz POCXMCRVXKAFCQ-KBPBESRZSA-N 0 3 335.444 3.201 20 10 EGCDHN COc1cccc([O-])c1C[N@H+]1C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000817414860 1319353038 /nfs/dbraw/zinc/35/30/38/1319353038.db2.gz POCXMCRVXKAFCQ-KBPBESRZSA-N 0 3 335.444 3.201 20 10 EGCDHN CC(C)(C)N1CC[C@H]([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000822129958 1320056674 /nfs/dbraw/zinc/05/66/74/1320056674.db2.gz YWGDLQKQESDBLH-ZDUSSCGKSA-N 0 3 327.266 3.117 20 10 EGCDHN CCOc1ccc(CNCc2cccc(C(F)(F)F)n2)c(O)c1 ZINC000824589208 1320267978 /nfs/dbraw/zinc/26/79/78/1320267978.db2.gz CGYOPAOXDYKWLV-UHFFFAOYSA-N 0 3 326.318 3.495 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@@H](c3ccncc3)C2)c1[O-] ZINC000824954034 1320299526 /nfs/dbraw/zinc/29/95/26/1320299526.db2.gz NZLNJMODZOKTBL-JKSUJKDBSA-N 0 3 348.830 3.459 20 10 EGCDHN CC(C)(C)O[C@@H]1C[C@@H](NCc2ccc3c(c2)CCO3)[C@@H]1n1cccn1 ZINC000825117826 1320312313 /nfs/dbraw/zinc/31/23/13/1320312313.db2.gz LKWJHYDZCBRFBP-QRQLOZEOSA-N 0 3 341.455 3.105 20 10 EGCDHN [O-]c1cc(Br)ccc1C[NH2+]C1CCN(CC2CC2)CC1 ZINC000825125074 1320313072 /nfs/dbraw/zinc/31/30/72/1320313072.db2.gz GBOVJSDTQGERCZ-UHFFFAOYSA-N 0 3 339.277 3.119 20 10 EGCDHN C[N@H+](Cc1cc(F)ccc1[O-])CC(C)(C)NC(=O)OC(C)(C)C ZINC000826810144 1320405716 /nfs/dbraw/zinc/40/57/16/1320405716.db2.gz OMABHYRAQQBNSS-UHFFFAOYSA-N 0 3 326.412 3.266 20 10 EGCDHN C[N@@H+](Cc1cc(F)ccc1[O-])CC(C)(C)NC(=O)OC(C)(C)C ZINC000826810144 1320405719 /nfs/dbraw/zinc/40/57/19/1320405719.db2.gz OMABHYRAQQBNSS-UHFFFAOYSA-N 0 3 326.412 3.266 20 10 EGCDHN Cc1cc(CN2CCC[C@@H](NC(=O)N(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000840146736 1321039147 /nfs/dbraw/zinc/03/91/47/1321039147.db2.gz MGWFRFIMJJBMLQ-MRXNPFEDSA-N 0 3 347.503 3.234 20 10 EGCDHN COC(=O)[C@@]1(C)CCC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000840186434 1321045792 /nfs/dbraw/zinc/04/57/92/1321045792.db2.gz ZLUOZLASKAGZPB-FQEVSTJZSA-N 0 3 343.423 3.329 20 10 EGCDHN COC(=O)[C@@]1(C)CCC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000840186434 1321045798 /nfs/dbraw/zinc/04/57/98/1321045798.db2.gz ZLUOZLASKAGZPB-FQEVSTJZSA-N 0 3 343.423 3.329 20 10 EGCDHN Cc1cc(C)c([C@@H](C)[NH2+]CC(C)(C)[C@H]2COCC23OCCO3)c([O-])c1 ZINC000840795863 1321150027 /nfs/dbraw/zinc/15/00/27/1321150027.db2.gz BXXKURFMDIEYEO-NVXWUHKLSA-N 0 3 349.471 3.075 20 10 EGCDHN Cc1cc(N(C)C)ccc1CN[C@@H](CC(=O)N(C)C)c1ccccc1 ZINC000840933179 1321180082 /nfs/dbraw/zinc/18/00/82/1321180082.db2.gz MHXBWRCYTZSFJI-FQEVSTJZSA-N 0 3 339.483 3.370 20 10 EGCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CS[C@H](C)C2)c1[O-] ZINC000840957730 1321186303 /nfs/dbraw/zinc/18/63/03/1321186303.db2.gz DGNFJBUHCPYQRE-KCJUWKMLSA-N 0 3 332.263 3.147 20 10 EGCDHN CC(C)(CNC(=O)Nc1ccc(N)cc1)N1CCc2ccccc2C1 ZINC000841301297 1321249965 /nfs/dbraw/zinc/24/99/65/1321249965.db2.gz JPTAEVJQAPDXQR-UHFFFAOYSA-N 0 3 338.455 3.227 20 10 EGCDHN CN(C)C1(C[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000841890499 1321327268 /nfs/dbraw/zinc/32/72/68/1321327268.db2.gz PPAIHRWSGZALGH-UHFFFAOYSA-N 0 3 326.440 3.155 20 10 EGCDHN CC(=O)c1cc(Cl)cc(CN2CCC([C@H]3CCC[NH2+]3)CC2)c1[O-] ZINC000842472948 1321393158 /nfs/dbraw/zinc/39/31/58/1321393158.db2.gz NLPFMYGVOBOWTA-QGZVFWFLSA-N 0 3 336.863 3.212 20 10 EGCDHN C[C@@H]1CCCN(Cc2cccc(Br)c2[O-])[C@H]1CC[NH3+] ZINC000844902321 1321656196 /nfs/dbraw/zinc/65/61/96/1321656196.db2.gz PGTKXOCCFKXLDA-RISCZKNCSA-N 0 3 327.266 3.104 20 10 EGCDHN COc1cccc([C@@H](C)N[C@H](CC(=O)N(C)C)c2ccccc2)c1O ZINC000846144190 1321771298 /nfs/dbraw/zinc/77/12/98/1321771298.db2.gz LIFHBYHGNYYRKB-RHSMWYFYSA-N 0 3 342.439 3.271 20 10 EGCDHN Nc1cccc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 ZINC000849350800 1322117209 /nfs/dbraw/zinc/11/72/09/1322117209.db2.gz WVCOXKPJOASJGD-UHFFFAOYSA-N 0 3 340.427 3.457 20 10 EGCDHN OC1CCN(c2ccc(CN[C@H]3CCCc4cccnc43)cc2)CC1 ZINC000850568193 1322269413 /nfs/dbraw/zinc/26/94/13/1322269413.db2.gz RGRPWYDDOZOYPO-FQEVSTJZSA-N 0 3 337.467 3.210 20 10 EGCDHN CCN(C)c1ccc(CN[C@@H](c2cccnc2)C(C)(C)CO)cc1 ZINC000852091876 1323144546 /nfs/dbraw/zinc/14/45/46/1323144546.db2.gz KYLPPBQMJKQSHZ-IBGZPJMESA-N 0 3 327.472 3.387 20 10 EGCDHN COc1ccc(N2CC[C@@H](CN[C@@H](C)c3cn(C(C)C)nn3)C2)cc1 ZINC000926613093 1327635372 /nfs/dbraw/zinc/63/53/72/1327635372.db2.gz SDMKQAWUTXODBJ-HOTGVXAUSA-N 0 3 343.475 3.045 20 10 EGCDHN CN(CCC[NH+]1CCCC1)Cc1c([O-])cccc1Br ZINC000862352910 1329476742 /nfs/dbraw/zinc/47/67/42/1329476742.db2.gz OXFAKIHZYIPLHL-UHFFFAOYSA-N 0 3 327.266 3.072 20 10 EGCDHN CC[C@H](NC[C@H](n1cncn1)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000866434283 1330111576 /nfs/dbraw/zinc/11/15/76/1330111576.db2.gz KJAXBCSCNQVVMA-GJZGRUSLSA-N 0 3 341.381 3.188 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](C)[C@H](O)CC2)c1[O-] ZINC001233107304 1376570281 /nfs/dbraw/zinc/57/02/81/1376570281.db2.gz XEVKLMDYNJNQIJ-QMTHXVAHSA-N 0 3 328.250 3.056 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](O)[C@@H](C)CC2)c1[O-] ZINC001233107303 1376571133 /nfs/dbraw/zinc/57/11/33/1376571133.db2.gz XEVKLMDYNJNQIJ-IINYFYTJSA-N 0 3 328.250 3.056 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@@H](O)[C@@H](C)CC2)c1[O-] ZINC001233107303 1376571137 /nfs/dbraw/zinc/57/11/37/1376571137.db2.gz XEVKLMDYNJNQIJ-IINYFYTJSA-N 0 3 328.250 3.056 20 10 EGCDHN COc1ccc(CN2CCC(O)(c3ccccc3F)CC2)c(O)c1 ZINC001203628844 1370192994 /nfs/dbraw/zinc/19/29/94/1370192994.db2.gz HBQBPMZXXFEVAZ-UHFFFAOYSA-N 0 3 331.387 3.024 20 10 EGCDHN COc1ccc(C[NH+]2CCC(O)(c3ccccc3F)CC2)c([O-])c1 ZINC001203628844 1370192999 /nfs/dbraw/zinc/19/29/99/1370192999.db2.gz HBQBPMZXXFEVAZ-UHFFFAOYSA-N 0 3 331.387 3.024 20 10 EGCDHN CC(C)[N@H+](C)[C@H]1CCN(Cc2cc(Br)ccc2[O-])C1 ZINC001203649775 1370200564 /nfs/dbraw/zinc/20/05/64/1370200564.db2.gz GFCKCVWBWPNYJY-AWEZNQCLSA-N 0 3 327.266 3.069 20 10 EGCDHN CC(C)[N@@H+](C)[C@H]1CCN(Cc2cc(Br)ccc2[O-])C1 ZINC001203649775 1370200567 /nfs/dbraw/zinc/20/05/67/1370200567.db2.gz GFCKCVWBWPNYJY-AWEZNQCLSA-N 0 3 327.266 3.069 20 10 EGCDHN [O-]c1ccc(Cl)cc1C[NH+]1C[C@H]2CN(Cc3cccnc3)C[C@@H]2C1 ZINC001203655717 1370203519 /nfs/dbraw/zinc/20/35/19/1370203519.db2.gz BHUUKMPKRKVVAP-IAGOWNOFSA-N 0 3 343.858 3.004 20 10 EGCDHN COc1cc(CN(C)Cc2ccc(N3CCOCC3)cc2)ccc1F ZINC001204561728 1370516216 /nfs/dbraw/zinc/51/62/16/1370516216.db2.gz RABLAEQVWLIWFG-UHFFFAOYSA-N 0 3 344.430 3.303 20 10 EGCDHN C[C@H]1C[NH2+]CCC[C@@H]1Oc1c(O)c([O-])ccc1C(=O)c1ccccc1 ZINC001217987224 1373527393 /nfs/dbraw/zinc/52/73/93/1373527393.db2.gz MHRFPOZLCCIRCW-GUYCJALGSA-N 0 3 341.407 3.096 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@@H](C)[C@H](O)CC2)c1[O-] ZINC001233107304 1376570269 /nfs/dbraw/zinc/57/02/69/1376570269.db2.gz XEVKLMDYNJNQIJ-QMTHXVAHSA-N 0 3 328.250 3.056 20 10 EGCDHN COc1cc(Cl)cc(CN2CCC[C@H](Oc3cccnc3)C2)c1O ZINC001233289907 1376605605 /nfs/dbraw/zinc/60/56/05/1376605605.db2.gz WYQZHPSXAXEABX-INIZCTEOSA-N 0 3 348.830 3.493 20 10 EGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@]2(CCCO2)C1 ZINC001237054191 1376971530 /nfs/dbraw/zinc/97/15/30/1376971530.db2.gz WMCKXNOMALCIAW-OAHLLOKOSA-N 0 3 331.334 3.088 20 10 EGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CC[C@]2(CCCO2)C1 ZINC001237054191 1376971538 /nfs/dbraw/zinc/97/15/38/1376971538.db2.gz WMCKXNOMALCIAW-OAHLLOKOSA-N 0 3 331.334 3.088 20 10 EGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001237051264 1376972529 /nfs/dbraw/zinc/97/25/29/1376972529.db2.gz JCWADYCPEICHFB-XJKSGUPXSA-N 0 3 345.361 3.334 20 10 EGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001237051264 1376972532 /nfs/dbraw/zinc/97/25/32/1376972532.db2.gz JCWADYCPEICHFB-XJKSGUPXSA-N 0 3 345.361 3.334 20 10 EGCDHN Cc1cc([O-])c(C[NH+]2CCC3(CCOC3)CC2)cc1Br ZINC001237676132 1376982561 /nfs/dbraw/zinc/98/25/61/1376982561.db2.gz GEKFJVHWZCAZTP-UHFFFAOYSA-N 0 3 340.261 3.466 20 10 EGCDHN COC(=O)Cc1ccc(C[N@H+](C)CCc2ccccc2Cl)c([O-])c1 ZINC001249208190 1377072861 /nfs/dbraw/zinc/07/28/61/1377072861.db2.gz PCRAMOBJFGQGAM-UHFFFAOYSA-N 0 3 347.842 3.436 20 10 EGCDHN COC(=O)Cc1ccc(C[N@@H+](C)CCc2ccccc2Cl)c([O-])c1 ZINC001249208190 1377072865 /nfs/dbraw/zinc/07/28/65/1377072865.db2.gz PCRAMOBJFGQGAM-UHFFFAOYSA-N 0 3 347.842 3.436 20 10 EGCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001140053918 1377996519 /nfs/dbraw/zinc/99/65/19/1377996519.db2.gz FBCFWGNGXDIRCJ-BBRMVZONSA-N 0 3 347.459 3.084 20 10 EGCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001140053918 1377996522 /nfs/dbraw/zinc/99/65/22/1377996522.db2.gz FBCFWGNGXDIRCJ-BBRMVZONSA-N 0 3 347.459 3.084 20 10 EGCDHN CCN1CCN(c2ccc(CN3Cc4cccc(F)c4C3)cc2)CC1 ZINC001140304439 1378042845 /nfs/dbraw/zinc/04/28/45/1378042845.db2.gz PPSYVVWFWLXZNK-UHFFFAOYSA-N 0 3 339.458 3.483 20 10 EGCDHN O=C(NC1CCCC1)[C@@H]1CC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001272618131 1378076767 /nfs/dbraw/zinc/07/67/67/1378076767.db2.gz BURHEQKUGYXDOA-KRWDZBQOSA-N 0 3 328.456 3.053 20 10 EGCDHN CC[C@@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)ccc1[O-] ZINC001273285281 1378094773 /nfs/dbraw/zinc/09/47/73/1378094773.db2.gz PBJACZSEMBVALG-KUHUBIRLSA-N 0 3 334.435 3.287 20 10 EGCDHN CC[C@@H](C)N1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(F)ccc1[O-] ZINC001273285281 1378094776 /nfs/dbraw/zinc/09/47/76/1378094776.db2.gz PBJACZSEMBVALG-KUHUBIRLSA-N 0 3 334.435 3.287 20 10 EGCDHN CN1CC[C@]2(CCC[N@H+](Cc3c([O-])ccc4ccccc43)CC2)C1=O ZINC001273768920 1378110350 /nfs/dbraw/zinc/11/03/50/1378110350.db2.gz AWQQRZLPQHFWAT-NRFANRHFSA-N 0 3 338.451 3.380 20 10 EGCDHN CN1CC[C@]2(CCC[N@@H+](Cc3c([O-])ccc4ccccc43)CC2)C1=O ZINC001273768920 1378110351 /nfs/dbraw/zinc/11/03/51/1378110351.db2.gz AWQQRZLPQHFWAT-NRFANRHFSA-N 0 3 338.451 3.380 20 10 EGCDHN Cc1c(O)ccc(CN2CCCN(C(=O)C3CCCCC3)CC2)c1O ZINC001140748010 1378128900 /nfs/dbraw/zinc/12/89/00/1378128900.db2.gz RBPGZAQICCQNJY-UHFFFAOYSA-N 0 3 346.471 3.021 20 10 EGCDHN CCOc1ccc(N2CCN(Cc3ccc(O)c(C)c3O)CC2)cc1 ZINC001140749561 1378129315 /nfs/dbraw/zinc/12/93/15/1378129315.db2.gz FALUTKZRJKEBQC-UHFFFAOYSA-N 0 3 342.439 3.127 20 10 EGCDHN [O-]c1ccc(F)c(Cl)c1C[N@@H+]1CC[C@H]2CN(Cc3ccc[nH]3)C[C@H]21 ZINC001276838074 1378188920 /nfs/dbraw/zinc/18/89/20/1378188920.db2.gz UJTQOCHUWMRSOB-BLLLJJGKSA-N 0 3 349.837 3.219 20 10 EGCDHN [O-]c1ccc(F)c(Cl)c1C[N@H+]1CC[C@H]2CN(Cc3ccc[nH]3)C[C@H]21 ZINC001276838074 1378188924 /nfs/dbraw/zinc/18/89/24/1378188924.db2.gz UJTQOCHUWMRSOB-BLLLJJGKSA-N 0 3 349.837 3.219 20 10 EGCDHN Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C(N)=O)c2ccccc2)c([O-])c1 ZINC001140951097 1378189713 /nfs/dbraw/zinc/18/97/13/1378189713.db2.gz YUWLDQDGBFQBMX-QUCCMNQESA-N 0 3 338.451 3.324 20 10 EGCDHN Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](C(N)=O)c2ccccc2)c([O-])c1 ZINC001140951097 1378189715 /nfs/dbraw/zinc/18/97/15/1378189715.db2.gz YUWLDQDGBFQBMX-QUCCMNQESA-N 0 3 338.451 3.324 20 10 EGCDHN COc1cccc(CCC[N@H+](C)Cc2c([O-])cc(OC)cc2OC)c1 ZINC001141028964 1378212793 /nfs/dbraw/zinc/21/27/93/1378212793.db2.gz FRPPOZPAGUDSPA-UHFFFAOYSA-N 0 3 345.439 3.483 20 10 EGCDHN COc1cccc(CCC[N@@H+](C)Cc2c([O-])cc(OC)cc2OC)c1 ZINC001141028964 1378212801 /nfs/dbraw/zinc/21/28/01/1378212801.db2.gz FRPPOZPAGUDSPA-UHFFFAOYSA-N 0 3 345.439 3.483 20 10 EGCDHN COc1cc([O-])c(C[N@H+](C)[C@H](C)Cc2ccccc2OC)c(OC)c1 ZINC001141031178 1378215025 /nfs/dbraw/zinc/21/50/25/1378215025.db2.gz YQDONIVPVNLRHX-CQSZACIVSA-N 0 3 345.439 3.481 20 10 EGCDHN COc1cc([O-])c(C[N@@H+](C)[C@H](C)Cc2ccccc2OC)c(OC)c1 ZINC001141031178 1378215029 /nfs/dbraw/zinc/21/50/29/1378215029.db2.gz YQDONIVPVNLRHX-CQSZACIVSA-N 0 3 345.439 3.481 20 10 EGCDHN CN1CCOc2cc(CN3CC[C@H](OCc4ccccc4)C3)ccc21 ZINC001141143350 1378248820 /nfs/dbraw/zinc/24/88/20/1378248820.db2.gz VTSNSRLMQDIRSX-IBGZPJMESA-N 0 3 338.451 3.306 20 10 EGCDHN COc1ccc(N2CCN(CCCNc3ccc(C)nc3)CC2)cc1 ZINC001164330405 1383178267 /nfs/dbraw/zinc/17/82/67/1383178267.db2.gz SFNKSYQGOKZXAP-UHFFFAOYSA-N 0 3 340.471 3.023 20 10 EGCDHN COc1ccc([C@@H]2C[C@@H]([NH2+]Cc3cccc(O)c3[O-])CCO2)cc1 ZINC001168608080 1383947494 /nfs/dbraw/zinc/94/74/94/1383947494.db2.gz KFZQMJSMHOPPHZ-YJBOKZPZSA-N 0 3 329.396 3.116 20 10 EGCDHN O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc(O)cc1[O-])CC2 ZINC001172912306 1384876463 /nfs/dbraw/zinc/87/64/63/1384876463.db2.gz NBYJWKJSMZMGSU-OAHLLOKOSA-N 0 3 328.368 3.043 20 10 EGCDHN O[C@H]([C@H]1CCCN1Cc1ccc(N2CCCC2)cc1)C(F)(F)F ZINC001319951103 1386412721 /nfs/dbraw/zinc/41/27/21/1386412721.db2.gz YFXKOISZZQTFEM-HZPDHXFCSA-N 0 3 328.378 3.174 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)CC2CCOCC2)c2c1c(F)ccc2[O-] ZINC001339286139 1389974645 /nfs/dbraw/zinc/97/46/45/1389974645.db2.gz HZPLEBDTPWABRM-INWMFGNUSA-N 0 3 337.435 3.094 20 10 EGCDHN O=C1CCCCN1[C@H]1CCCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001333371614 1390291665 /nfs/dbraw/zinc/29/16/65/1390291665.db2.gz SBRXNJPNLJSKEE-FQEVSTJZSA-N 0 3 341.499 3.264 20 10 EGCDHN Cc1ncc([C@H](C)NCc2ccc(N3CCN(C)CC3)c(F)c2)s1 ZINC001348550434 1391236334 /nfs/dbraw/zinc/23/63/34/1391236334.db2.gz UTDDEYGZMXLYPS-ZDUSSCGKSA-N 0 3 348.491 3.193 20 10 EGCDHN O=C1[C@@H](NCc2ccc(N3CCCC3)cc2)CCN1C1CCCCC1 ZINC001350427833 1391463043 /nfs/dbraw/zinc/46/30/43/1391463043.db2.gz BZDGURHHFJFRSD-FQEVSTJZSA-N 0 3 341.499 3.310 20 10 EGCDHN COc1ccc(CNC2(CNC(=O)/C=C\C(C)(C)C)CC2)cc1C ZINC001754510694 1440617373 /nfs/dbraw/zinc/61/73/73/1440617373.db2.gz LKPWZLNKLVNAPF-HJWRWDBZSA-N 0 3 330.472 3.344 20 10 EGCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000180800187 455247336 /nfs/dbraw/zinc/24/73/36/455247336.db2.gz JHBMBHGRKQRWRX-ZDUSSCGKSA-N 0 3 325.334 3.445 20 10 EGCDHN [O-]c1ccccc1C[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000180800187 455247340 /nfs/dbraw/zinc/24/73/40/455247340.db2.gz JHBMBHGRKQRWRX-ZDUSSCGKSA-N 0 3 325.334 3.445 20 10 EGCDHN [O-]c1cc2c(cc1C[NH2+]C[C@H](c1ccco1)N1CCCCC1)OCO2 ZINC000238129207 455255118 /nfs/dbraw/zinc/25/51/18/455255118.db2.gz YBUYHLRQPDPJRX-OAHLLOKOSA-N 0 3 344.411 3.031 20 10 EGCDHN c1cc(N2CCCCC2)ccc1CN1CCOCC2(CCOCC2)C1 ZINC000183267142 455265290 /nfs/dbraw/zinc/26/52/90/455265290.db2.gz BDWZIIBSCPBEGK-UHFFFAOYSA-N 0 3 344.499 3.306 20 10 EGCDHN C[C@@H]([NH2+]C[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccccc1[O-] ZINC000183381396 455285318 /nfs/dbraw/zinc/28/53/18/455285318.db2.gz RXKPZWCIQGAPGP-DNVCBOLYSA-N 0 3 344.430 3.255 20 10 EGCDHN CCOCc1cc(CNC[C@@](C)(O)c2cc(C)oc2C)ccc1OC ZINC000174440312 455391994 /nfs/dbraw/zinc/39/19/94/455391994.db2.gz PMMPFCDXZATZAL-HXUWFJFHSA-N 0 3 347.455 3.439 20 10 EGCDHN [O-]c1ccccc1C[N@H+](CCCOCC(F)(F)F)C[C@@H]1CCCO1 ZINC000077284171 454085722 /nfs/dbraw/zinc/08/57/22/454085722.db2.gz UCVACIIGFPKMNV-HNNXBMFYSA-N 0 3 347.377 3.342 20 10 EGCDHN [O-]c1ccccc1C[N@@H+](CCCOCC(F)(F)F)C[C@@H]1CCCO1 ZINC000077284171 454085726 /nfs/dbraw/zinc/08/57/26/454085726.db2.gz UCVACIIGFPKMNV-HNNXBMFYSA-N 0 3 347.377 3.342 20 10 EGCDHN CC(C)N1CC[C@@H](N[C@H](C)c2ccc(N3CCCCC3)cc2)C1=O ZINC000089728916 454183381 /nfs/dbraw/zinc/18/33/81/454183381.db2.gz HWUDIVYKDUPNHG-VQIMIIECSA-N 0 3 329.488 3.337 20 10 EGCDHN CC(=O)c1cc(F)cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1[O-] ZINC000134886494 454603489 /nfs/dbraw/zinc/60/34/89/454603489.db2.gz IBZPWEMWGOSHGS-KUHUBIRLSA-N 0 3 346.446 3.183 20 10 EGCDHN CC(=O)c1cc(F)cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1[O-] ZINC000134886494 454603494 /nfs/dbraw/zinc/60/34/94/454603494.db2.gz IBZPWEMWGOSHGS-KUHUBIRLSA-N 0 3 346.446 3.183 20 10 EGCDHN COc1cccc(C[N@H+](CCO)[C@H]2CCCc3ccccc32)c1[O-] ZINC000093388577 454710947 /nfs/dbraw/zinc/71/09/47/454710947.db2.gz PNTPDCIWZXGBOP-SFHVURJKSA-N 0 3 327.424 3.273 20 10 EGCDHN COc1cccc(C[N@@H+](CCO)[C@H]2CCCc3ccccc32)c1[O-] ZINC000093388577 454710949 /nfs/dbraw/zinc/71/09/49/454710949.db2.gz PNTPDCIWZXGBOP-SFHVURJKSA-N 0 3 327.424 3.273 20 10 EGCDHN C[C@@H](NCCNC(=O)C1CC1)c1ccc(N2CCCCCC2)cc1 ZINC000178213871 454943061 /nfs/dbraw/zinc/94/30/61/454943061.db2.gz ZSMILNLGVBYGHV-MRXNPFEDSA-N 0 3 329.488 3.244 20 10 EGCDHN O=C(NCCc1cccs1)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000179564754 455058852 /nfs/dbraw/zinc/05/88/52/455058852.db2.gz YLFOIQTXDSXRMI-UHFFFAOYSA-N 0 3 344.480 3.025 20 10 EGCDHN CCN(Cc1cnn(C)c1)Cc1cc(Br)cc(C)c1O ZINC000179838812 455087305 /nfs/dbraw/zinc/08/73/05/455087305.db2.gz AFSUSPCPHNWKDN-UHFFFAOYSA-N 0 3 338.249 3.219 20 10 EGCDHN Cc1ccc(O)c(CN2CCCN(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000128918379 455090910 /nfs/dbraw/zinc/09/09/10/455090910.db2.gz URRTVUXHBZQHEI-UHFFFAOYSA-N 0 3 342.414 3.188 20 10 EGCDHN CCS(=O)(=O)c1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000179948630 455104007 /nfs/dbraw/zinc/10/40/07/455104007.db2.gz LDXDMQZXOZHUDG-HNNXBMFYSA-N 0 3 346.496 3.397 20 10 EGCDHN Cc1cc([O-])c(C[NH2+]CC2CCN(CC(F)(F)F)CC2)cc1C ZINC000189465868 455200831 /nfs/dbraw/zinc/20/08/31/455200831.db2.gz UKTOSGJAMFWJQK-UHFFFAOYSA-N 0 3 330.394 3.373 20 10 EGCDHN C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1cccnc1 ZINC000158496473 455309004 /nfs/dbraw/zinc/30/90/04/455309004.db2.gz KNKJPCAMSQUWKA-GJZGRUSLSA-N 0 3 329.419 3.469 20 10 EGCDHN [O-]c1cc2c(cc1C[NH2+]C1(c3cccc(F)c3)CCOCC1)OCO2 ZINC000174645768 455408510 /nfs/dbraw/zinc/40/85/10/455408510.db2.gz YXFYKDCCFQMCIO-UHFFFAOYSA-N 0 3 345.370 3.056 20 10 EGCDHN Oc1cc2c(cc1CNC1(c3cccc(F)c3)CCOCC1)OCO2 ZINC000174645768 455408516 /nfs/dbraw/zinc/40/85/16/455408516.db2.gz YXFYKDCCFQMCIO-UHFFFAOYSA-N 0 3 345.370 3.056 20 10 EGCDHN CCOc1cccc(CN[C@@H](C[S@](C)=O)c2ccccc2)c1O ZINC000182097506 455434967 /nfs/dbraw/zinc/43/49/67/455434967.db2.gz WZIHTYFAEKIXQI-HJPURHCSSA-N 0 3 333.453 3.000 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CCOCC2)c([O-])c1 ZINC000184853149 455461120 /nfs/dbraw/zinc/46/11/20/455461120.db2.gz OFXIINAXMMWWLF-WBVHZDCISA-N 0 3 346.496 3.486 20 10 EGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C2CCN(C(=O)c3ccco3)CC2)c1 ZINC000184966765 455479162 /nfs/dbraw/zinc/47/91/62/455479162.db2.gz STISUILJELJJIG-AWEZNQCLSA-N 0 3 328.412 3.249 20 10 EGCDHN CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(C)ccc2[O-])cc1 ZINC000185122785 455506090 /nfs/dbraw/zinc/50/60/90/455506090.db2.gz JKQYXPODRZXPSF-KGLIPLIRSA-N 0 3 348.468 3.021 20 10 EGCDHN CCOc1cccc(CN2CCC(Oc3ccc(F)nc3)CC2)c1O ZINC000191679725 455509207 /nfs/dbraw/zinc/50/92/07/455509207.db2.gz ZHEXEWNKVODBDQ-UHFFFAOYSA-N 0 3 346.402 3.368 20 10 EGCDHN CCNC(=O)c1cccc(CN[C@H](C)c2cc(OC)ccc2O)c1 ZINC000185177356 455516767 /nfs/dbraw/zinc/51/67/67/455516767.db2.gz QTNUGDYOOVIHNJ-CYBMUJFWSA-N 0 3 328.412 3.001 20 10 EGCDHN CC[C@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1ccccc1[O-] ZINC000185207433 455521350 /nfs/dbraw/zinc/52/13/50/455521350.db2.gz OHCNXCARWDQZJE-INIZCTEOSA-N 0 3 328.412 3.331 20 10 EGCDHN CNS(=O)(=O)c1cccc([C@H](C)N[C@@H](C)c2cc(C)ccc2O)c1 ZINC000185322480 455540639 /nfs/dbraw/zinc/54/06/39/455540639.db2.gz CRHHVFUKRHDAHF-KBPBESRZSA-N 0 3 348.468 3.021 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCc2ccc(NC(C)=O)cc2)c1 ZINC000185338061 455543411 /nfs/dbraw/zinc/54/34/11/455543411.db2.gz FAHJCFKCLUPSPY-ZDUSSCGKSA-N 0 3 328.412 3.253 20 10 EGCDHN CCOCCCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(C)cc2[O-])[C@H](C)C1 ZINC000185461341 455560656 /nfs/dbraw/zinc/56/06/56/455560656.db2.gz BEFFDUVDKQAQPR-ZIFCJYIRSA-N 0 3 334.504 3.488 20 10 EGCDHN CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2cc(F)ccc2[O-])[C@H](C)C1 ZINC000185461529 455561233 /nfs/dbraw/zinc/56/12/33/455561233.db2.gz LNKFWFLDPVSPGG-VKJFTORMSA-N 0 3 338.467 3.319 20 10 EGCDHN CCCOc1ccc(C[NH2+][C@H]2C[C@H](OCC)C23CCOCC3)c([O-])c1 ZINC000185656187 455590679 /nfs/dbraw/zinc/59/06/79/455590679.db2.gz CWQXHLHDHPKUMP-OALUTQOASA-N 0 3 349.471 3.245 20 10 EGCDHN C[C@@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cn[nH]c1 ZINC000283943277 455613910 /nfs/dbraw/zinc/61/39/10/455613910.db2.gz FLVWOESSHOHXBI-TZMCWYRMSA-N 0 3 336.386 3.331 20 10 EGCDHN C[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1cc(F)ccc1[O-] ZINC000185870528 455638663 /nfs/dbraw/zinc/63/86/63/455638663.db2.gz HNQPEYWWBJMJGU-CQSZACIVSA-N 0 3 329.419 3.494 20 10 EGCDHN CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000271473382 455650926 /nfs/dbraw/zinc/65/09/26/455650926.db2.gz KZXPFRZLCBNACC-VOJFVSQTSA-N 0 3 333.359 3.126 20 10 EGCDHN Cc1ccc(O)c([C@@H](C)N[C@@H]2CCN(c3ccccc3F)C2=O)c1 ZINC000186022411 455677604 /nfs/dbraw/zinc/67/76/04/455677604.db2.gz VBCCCIVGYUQVAZ-CZUORRHYSA-N 0 3 328.387 3.296 20 10 EGCDHN COc1ccccc1N1CC[C@@H](N[C@@H](C)c2cc(C)ccc2O)C1=O ZINC000186101997 455694148 /nfs/dbraw/zinc/69/41/48/455694148.db2.gz XMUGTEXEUIPZFH-GOEBONIOSA-N 0 3 340.423 3.165 20 10 EGCDHN COc1cccc([C@@H](C[NH2+][C@H](C)c2cc(OC)ccc2[O-])N(C)C)c1 ZINC000192865542 455708083 /nfs/dbraw/zinc/70/80/83/455708083.db2.gz NIXNCWYHKCKCSL-AUUYWEPGSA-N 0 3 344.455 3.363 20 10 EGCDHN CO[C@@H](C)[C@@H](C)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000268780000 455713034 /nfs/dbraw/zinc/71/30/34/455713034.db2.gz PHLCIACQUBSKJO-OLZOCXBDSA-N 0 3 346.393 3.055 20 10 EGCDHN CCc1cc(N2CCC[C@H]([NH2+][C@H](C)c3cc(F)ccc3[O-])C2)ncn1 ZINC000248528570 455717480 /nfs/dbraw/zinc/71/74/80/455717480.db2.gz WEYPUTSZBIZLQP-CJNGLKHVSA-N 0 3 344.434 3.203 20 10 EGCDHN CCc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3cc(F)ccc3[O-])C2)ncn1 ZINC000248528574 455718208 /nfs/dbraw/zinc/71/82/08/455718208.db2.gz WEYPUTSZBIZLQP-CZUORRHYSA-N 0 3 344.434 3.203 20 10 EGCDHN COc1cccc(C[NH2+]C2(Cc3ccc(F)cc3)CCOCC2)c1[O-] ZINC000293117495 455775257 /nfs/dbraw/zinc/77/52/57/455775257.db2.gz YZDRBZASMCLDPP-UHFFFAOYSA-N 0 3 345.414 3.421 20 10 EGCDHN Cc1nnsc1CN[C@@H](C)c1cc(Br)cc(C)c1O ZINC000293800460 455798516 /nfs/dbraw/zinc/79/85/16/455798516.db2.gz UYDGZSAFVIJPPF-QMMMGPOBSA-N 0 3 342.262 3.474 20 10 EGCDHN Cc1cc(Br)cc(CN2CCC[N@@H+]3CCC[C@H]3C2)c1[O-] ZINC000252730326 455829202 /nfs/dbraw/zinc/82/92/02/455829202.db2.gz KWBKOMBTDCOSKZ-HNNXBMFYSA-N 0 3 339.277 3.133 20 10 EGCDHN Cc1cc(Br)cc(CN2CCC[N@H+]3CCC[C@H]3C2)c1[O-] ZINC000252730326 455829204 /nfs/dbraw/zinc/82/92/04/455829204.db2.gz KWBKOMBTDCOSKZ-HNNXBMFYSA-N 0 3 339.277 3.133 20 10 EGCDHN O=C1CCCN1Cc1ccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000295928783 455863201 /nfs/dbraw/zinc/86/32/01/455863201.db2.gz KEWFIZVUYQQPMU-GOSISDBHSA-N 0 3 336.435 3.292 20 10 EGCDHN CCC[C@H]([NH2+]Cc1cc(OC)c(OC)cc1[O-])[C@@H](O)c1ccccc1 ZINC000279615354 455869057 /nfs/dbraw/zinc/86/90/57/455869057.db2.gz GDOOGUAOUJWCRP-JXFKEZNVSA-N 0 3 345.439 3.401 20 10 EGCDHN CC[C@@H]([NH2+]Cc1ccc(OCCO)c(OC)c1)c1ccc(C)cc1[O-] ZINC000279959363 455879368 /nfs/dbraw/zinc/87/93/68/455879368.db2.gz CEHMGLIYBCWBSA-QGZVFWFLSA-N 0 3 345.439 3.321 20 10 EGCDHN C[C@H]1OCC[C@]12CN(Cc1ccc(N3CCCCC3)cc1)C[C@@H](C)O2 ZINC000280453246 455975023 /nfs/dbraw/zinc/97/50/23/455975023.db2.gz LMMOZNLFXGVPHY-OPYAIIAOSA-N 0 3 344.499 3.445 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000187986539 455977042 /nfs/dbraw/zinc/97/70/42/455977042.db2.gz JGRZIENFMRXTER-SJLPKXTDSA-N 0 3 327.424 3.222 20 10 EGCDHN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000272621801 456017797 /nfs/dbraw/zinc/01/77/97/456017797.db2.gz LYQKTNIFSJZIFQ-STQMWFEESA-N 0 3 338.423 3.266 20 10 EGCDHN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000272621801 456017799 /nfs/dbraw/zinc/01/77/99/456017799.db2.gz LYQKTNIFSJZIFQ-STQMWFEESA-N 0 3 338.423 3.266 20 10 EGCDHN CC(C)C[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)C(=O)Nc1nccs1 ZINC000296833363 456048869 /nfs/dbraw/zinc/04/88/69/456048869.db2.gz MRQNSJDCDSUKJL-KGLIPLIRSA-N 0 3 345.468 3.479 20 10 EGCDHN C[C@H]([NH2+]Cc1ccnc(OC2CCOCC2)c1)c1ccccc1[O-] ZINC000272841863 456088349 /nfs/dbraw/zinc/08/83/49/456088349.db2.gz JQJRIBVADJKYQS-AWEZNQCLSA-N 0 3 328.412 3.196 20 10 EGCDHN CC(C)C(=O)NC1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000271056639 456114079 /nfs/dbraw/zinc/11/40/79/456114079.db2.gz UHQNCOASYGMNKE-UHFFFAOYSA-N 0 3 343.515 3.414 20 10 EGCDHN COC(=O)N1CCC([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000263655671 456184485 /nfs/dbraw/zinc/18/44/85/456184485.db2.gz FSZUWPOYMRLDQJ-UHFFFAOYSA-N 0 3 340.423 3.380 20 10 EGCDHN CCOc1cccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c1[O-] ZINC000271281626 456203798 /nfs/dbraw/zinc/20/37/98/456203798.db2.gz PLLXPLAVLZKWKE-HZPDHXFCSA-N 0 3 331.412 3.472 20 10 EGCDHN CCOc1cccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c1[O-] ZINC000271281626 456203806 /nfs/dbraw/zinc/20/38/06/456203806.db2.gz PLLXPLAVLZKWKE-HZPDHXFCSA-N 0 3 331.412 3.472 20 10 EGCDHN COCCOc1ccccc1CN[C@@H](C)c1cc(OC)ccc1O ZINC000273427672 456230535 /nfs/dbraw/zinc/23/05/35/456230535.db2.gz UTSKAVFZRPAEJW-AWEZNQCLSA-N 0 3 331.412 3.277 20 10 EGCDHN [O-]c1cc2c(cc1C[NH2+][C@@H]1CCO[C@H](c3ccc(F)cc3)C1)OCO2 ZINC000273481058 456232951 /nfs/dbraw/zinc/23/29/51/456232951.db2.gz LGJJPHMWPWZWIH-WBVHZDCISA-N 0 3 345.370 3.270 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]CCNC(=O)c2c(F)cccc2F)c([O-])c1C ZINC000273507228 456236785 /nfs/dbraw/zinc/23/67/85/456236785.db2.gz REOBIKUOADHEAF-CYBMUJFWSA-N 0 3 348.393 3.368 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H](C)c2ccc3c(c2)CC(=O)N3C)c1 ZINC000273624095 456242032 /nfs/dbraw/zinc/24/20/32/456242032.db2.gz ZVGCAPMNSIIUPA-CHWSQXEVSA-N 0 3 340.423 3.332 20 10 EGCDHN COc1ccsc1[C@H](C)NCc1ccc(N2CCOCC2)cc1 ZINC000274404407 456258008 /nfs/dbraw/zinc/25/80/08/456258008.db2.gz BNOLOKAZJPWVPN-AWEZNQCLSA-N 0 3 332.469 3.444 20 10 EGCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000291028333 456501943 /nfs/dbraw/zinc/50/19/43/456501943.db2.gz BAPNTEGWLSTSFL-FQEVSTJZSA-N 0 3 329.415 3.349 20 10 EGCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000291028333 456501947 /nfs/dbraw/zinc/50/19/47/456501947.db2.gz BAPNTEGWLSTSFL-FQEVSTJZSA-N 0 3 329.415 3.349 20 10 EGCDHN CN(C)c1ccc(CN[C@@H](c2nnc[nH]2)C2CCCCC2)cc1F ZINC000292154714 456870185 /nfs/dbraw/zinc/87/01/85/456870185.db2.gz NFKUUFIZHXJYIK-QGZVFWFLSA-N 0 3 331.439 3.421 20 10 EGCDHN CN(C)c1ccc(CN[C@H](c2nnc[nH]2)C2CCCCC2)cc1F ZINC000292154712 456870737 /nfs/dbraw/zinc/87/07/37/456870737.db2.gz NFKUUFIZHXJYIK-KRWDZBQOSA-N 0 3 331.439 3.421 20 10 EGCDHN CCOc1ccc(O)c(CN2CCC(C)(c3nc(C)no3)CC2)c1 ZINC000374740247 457698425 /nfs/dbraw/zinc/69/84/25/457698425.db2.gz ZCLQCOVELJKOOS-UHFFFAOYSA-N 0 3 331.416 3.036 20 10 EGCDHN CCOc1ccc([O-])c(C[NH+]2CCC(C)(c3nc(C)no3)CC2)c1 ZINC000374740247 457698428 /nfs/dbraw/zinc/69/84/28/457698428.db2.gz ZCLQCOVELJKOOS-UHFFFAOYSA-N 0 3 331.416 3.036 20 10 EGCDHN COc1cccc(C[N@@H+]2CC[C@@]3(C2)CCc2ccccc2O3)c1[O-] ZINC000368225026 458019188 /nfs/dbraw/zinc/01/91/88/458019188.db2.gz GDRZLWVHFRUSDR-HXUWFJFHSA-N 0 3 325.408 3.371 20 10 EGCDHN COc1cccc(C[N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)c1[O-] ZINC000368225026 458019192 /nfs/dbraw/zinc/01/91/92/458019192.db2.gz GDRZLWVHFRUSDR-HXUWFJFHSA-N 0 3 325.408 3.371 20 10 EGCDHN C[C@@H]1CN(C)c2ccccc2N(C(=O)c2cccc3c2CCNC3)C1 ZINC000662513655 461277202 /nfs/dbraw/zinc/27/72/02/461277202.db2.gz CPINFSQIJOSCND-OAHLLOKOSA-N 0 3 335.451 3.065 20 10 EGCDHN Cc1n[nH]cc1CNC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000726608084 574563638 /nfs/dbraw/zinc/56/36/38/574563638.db2.gz LMNZJKXVBFWCJE-UHFFFAOYSA-N 0 3 336.386 3.078 20 10 EGCDHN CN(C)c1ccc(CN(C(=O)CN(C)CC(C)(C)C)C2CC2)cc1 ZINC000726971764 574625362 /nfs/dbraw/zinc/62/53/62/574625362.db2.gz QLTVOOMYTNRYFA-UHFFFAOYSA-N 0 3 331.504 3.222 20 10 EGCDHN CCN1CCCC[C@@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000729346339 574844737 /nfs/dbraw/zinc/84/47/37/574844737.db2.gz QDJRDNVCSSNVPN-LJQANCHMSA-N 0 3 329.488 3.168 20 10 EGCDHN Cc1ncc(/C=C\C(=O)N(C)c2ccc(OCCN(C)C)cc2)s1 ZINC000732741033 575285678 /nfs/dbraw/zinc/28/56/78/575285678.db2.gz HBUQKHFBVZTYAR-KTKRTIGZSA-N 0 3 345.468 3.068 20 10 EGCDHN CCCCN(C)CCNC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000732890294 575294964 /nfs/dbraw/zinc/29/49/64/575294964.db2.gz XZVKWDRIJGUFDX-UHFFFAOYSA-N 0 3 334.508 3.016 20 10 EGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCOC[C@H]1CCCO1 ZINC000734507999 575504124 /nfs/dbraw/zinc/50/41/24/575504124.db2.gz AZXWSZIUXRXWKR-LJQANCHMSA-N 0 3 327.424 3.344 20 10 EGCDHN CC[C@H]1CCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000735311164 575640427 /nfs/dbraw/zinc/64/04/27/575640427.db2.gz LPPGCEGYGJVUMO-KRWDZBQOSA-N 0 3 331.504 3.223 20 10 EGCDHN COc1ccc(O)c(CN2CC[C@]3(C2)CC(=O)c2ccccc2O3)c1 ZINC000877590018 1299418623 /nfs/dbraw/zinc/41/86/23/1299418623.db2.gz WAZPQFLCKXRHDH-HXUWFJFHSA-N 0 3 339.391 3.011 20 10 EGCDHN COc1cccc([O-])c1C[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000045229517 1291508933 /nfs/dbraw/zinc/50/89/33/1291508933.db2.gz VWKYUMCPCNJTMG-HNNXBMFYSA-N 0 3 341.329 3.243 20 10 EGCDHN COc1cc(Br)cc(C[N@H+](C)CC2=CCSC2)c1[O-] ZINC000827807173 1292378453 /nfs/dbraw/zinc/37/84/53/1292378453.db2.gz ZJXOZUHJWGDOCC-UHFFFAOYSA-N 0 3 344.274 3.268 20 10 EGCDHN COc1cc(Br)cc(C[N@@H+](C)CC2=CCSC2)c1[O-] ZINC000827807173 1292378464 /nfs/dbraw/zinc/37/84/64/1292378464.db2.gz ZJXOZUHJWGDOCC-UHFFFAOYSA-N 0 3 344.274 3.268 20 10 EGCDHN Cc1cc(CN2CCSC[C@@H]2CCO)ccc1N1CCCCC1 ZINC000828047498 1292422885 /nfs/dbraw/zinc/42/28/85/1292422885.db2.gz OVCDCQBDTSRCDM-SFHVURJKSA-N 0 3 334.529 3.285 20 10 EGCDHN CCC(CC)[C@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)N1CCOCC1 ZINC000834502935 1293106621 /nfs/dbraw/zinc/10/66/21/1293106621.db2.gz USTQLXXVPLCSOH-MSOLQXFVSA-N 0 3 332.488 3.106 20 10 EGCDHN COC(=O)CC[N@H+](Cc1c([O-])ccc2ccc(OC)cc21)C(C)C ZINC000112959517 1293137581 /nfs/dbraw/zinc/13/75/81/1293137581.db2.gz NXGDWLYJUJETOA-UHFFFAOYSA-N 0 3 331.412 3.328 20 10 EGCDHN COC(=O)CC[N@@H+](Cc1c([O-])ccc2ccc(OC)cc21)C(C)C ZINC000112959517 1293137583 /nfs/dbraw/zinc/13/75/83/1293137583.db2.gz NXGDWLYJUJETOA-UHFFFAOYSA-N 0 3 331.412 3.328 20 10 EGCDHN Cn1cccc1C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000119260882 1293262503 /nfs/dbraw/zinc/26/25/03/1293262503.db2.gz JLMVFEUDZACTCA-INIZCTEOSA-N 0 3 333.863 3.138 20 10 EGCDHN CCOC(=O)C1CCN(Cc2cc(OC)cc(C(C)(C)C)c2O)CC1 ZINC000125314862 1293503837 /nfs/dbraw/zinc/50/38/37/1293503837.db2.gz ABRZITMNYWOCFN-UHFFFAOYSA-N 0 3 349.471 3.473 20 10 EGCDHN C[C@H](NCc1ccc(S(C)(=O)=O)cc1)c1ccc(N(C)C)cc1 ZINC000127446089 1293564171 /nfs/dbraw/zinc/56/41/71/1293564171.db2.gz NDPFQZDIRVYMGV-AWEZNQCLSA-N 0 3 332.469 3.007 20 10 EGCDHN COc1cccc(C2(NCc3ccc(N4CCOCC4)cc3)CC2)c1 ZINC000150885169 1293896813 /nfs/dbraw/zinc/89/68/13/1293896813.db2.gz GEMHNVSCBPZOLE-UHFFFAOYSA-N 0 3 338.451 3.311 20 10 EGCDHN CN(C)Cc1cccc(C(=O)NCc2ccc3c(c2)CCCN3C)c1 ZINC000156022478 1294124715 /nfs/dbraw/zinc/12/47/15/1294124715.db2.gz FEYVSPKQRCZWCG-UHFFFAOYSA-N 0 3 337.467 3.061 20 10 EGCDHN COC(=O)C[C@@H]1CSCCN1Cc1cc(C(C)C)c(C)cc1O ZINC000156344206 1294139625 /nfs/dbraw/zinc/13/96/25/1294139625.db2.gz WWHCLWFBBYEZJU-OAHLLOKOSA-N 0 3 337.485 3.305 20 10 EGCDHN CCC(=O)N1CCCN(Cc2cc(OC)cc(C(C)(C)C)c2O)CC1 ZINC000164235525 1294345574 /nfs/dbraw/zinc/34/55/74/1294345574.db2.gz MPKZZQHUYIEASY-UHFFFAOYSA-N 0 3 348.487 3.143 20 10 EGCDHN COc1cc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc(OC)c1OC ZINC000176981738 1294647136 /nfs/dbraw/zinc/64/71/36/1294647136.db2.gz LRJKOEHHAMAECL-NSHDSACASA-N 0 3 335.375 3.408 20 10 EGCDHN CCN(CC)c1ccc(CNC(=O)N(CCN(C)C)C(C)C)cc1 ZINC000178728044 1294751987 /nfs/dbraw/zinc/75/19/87/1294751987.db2.gz JRTPYPCXNGELBX-UHFFFAOYSA-N 0 3 334.508 3.014 20 10 EGCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2cc(C)cc(C)c2)c1 ZINC000182326993 1295034961 /nfs/dbraw/zinc/03/49/61/1295034961.db2.gz UGGWPZPYUJOZCF-CQSZACIVSA-N 0 3 328.412 3.307 20 10 EGCDHN COC(=O)c1ccc(CN[C@H](C)c2cc(OC)ccc2O)cc1F ZINC000182348639 1295039538 /nfs/dbraw/zinc/03/95/38/1295039538.db2.gz ZBWMFKDFSCZNQN-LLVKDONJSA-N 0 3 333.359 3.177 20 10 EGCDHN C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183529286 1295128348 /nfs/dbraw/zinc/12/83/48/1295128348.db2.gz HVMZFINLKUAYAJ-MSOLQXFVSA-N 0 3 339.483 3.254 20 10 EGCDHN C[C@H]([NH2+]CC1(CN2CCOCC2)CCCCC1)c1ccccc1[O-] ZINC000183547252 1295130987 /nfs/dbraw/zinc/13/09/87/1295130987.db2.gz NCNSLADYDUABSA-KRWDZBQOSA-N 0 3 332.488 3.326 20 10 EGCDHN O=C(CN[C@H](CO)C1CC1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000254387617 1296470768 /nfs/dbraw/zinc/47/07/68/1296470768.db2.gz XNUWWYNMUVWLLR-GOSISDBHSA-N 0 3 338.411 3.401 20 10 EGCDHN COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000872136099 1296760570 /nfs/dbraw/zinc/76/05/70/1296760570.db2.gz JLPLLEXNNSZXNJ-VLXJIEOASA-N 0 3 331.412 3.182 20 10 EGCDHN COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+][C@@H](C)c2ccc(C)cc2[O-])c1 ZINC000872137160 1296762812 /nfs/dbraw/zinc/76/28/12/1296762812.db2.gz OFFKLDYMMRNHCT-LRDNONRASA-N 0 3 345.439 3.491 20 10 EGCDHN COc1ccc(CN[C@H]2CCc3ccc(O)cc32)cc1Cn1cccn1 ZINC000873138503 1297293638 /nfs/dbraw/zinc/29/36/38/1297293638.db2.gz TVHAYAYZGRUTMG-FQEVSTJZSA-N 0 3 349.434 3.423 20 10 EGCDHN CCCN1CC[C@H](C[NH2+]Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715828975 1298289292 /nfs/dbraw/zinc/28/92/92/1298289292.db2.gz QTIFIXKRTFJVQZ-LLVKDONJSA-N 0 3 345.256 3.115 20 10 EGCDHN COc1cc(Br)cc(CN[C@@H](C)c2ccccn2)c1O ZINC000725848973 1298373308 /nfs/dbraw/zinc/37/33/08/1298373308.db2.gz FKIJJWGBUZMDQU-JTQLQIEISA-N 0 3 337.217 3.409 20 10 EGCDHN CCOc1ccc(O)c(CN[C@@H](CC(=O)N(C)C)c2ccccc2)c1 ZINC000725846425 1298374065 /nfs/dbraw/zinc/37/40/65/1298374065.db2.gz IIUSRFDPQPOWTH-SFHVURJKSA-N 0 3 342.439 3.100 20 10 EGCDHN Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000876641537 1298889417 /nfs/dbraw/zinc/88/94/17/1298889417.db2.gz LBICTZJXLJGMAO-OAHLLOKOSA-N 0 3 334.460 3.437 20 10 EGCDHN Cc1ccc(C[N@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000876641537 1298889430 /nfs/dbraw/zinc/88/94/30/1298889430.db2.gz LBICTZJXLJGMAO-OAHLLOKOSA-N 0 3 334.460 3.437 20 10 EGCDHN Cc1cccc([O-])c1C[NH2+]CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000877015299 1299114763 /nfs/dbraw/zinc/11/47/63/1299114763.db2.gz KTYQSVLHCBLHGI-OAHLLOKOSA-N 0 3 334.460 3.437 20 10 EGCDHN CC[C@H]1CN(Cc2ccc(N3CCC(O)CC3)cc2)[C@@H](CC)CO1 ZINC000877611362 1299430261 /nfs/dbraw/zinc/43/02/61/1299430261.db2.gz PUZZAOZABVRJQD-PXNSSMCTSA-N 0 3 332.488 3.037 20 10 EGCDHN CO[C@@](C)(C[NH2+]Cc1c(C)cccc1[O-])COCc1ccccc1 ZINC000877624179 1299440079 /nfs/dbraw/zinc/44/00/79/1299440079.db2.gz MDTHYPMOJRLRSW-FQEVSTJZSA-N 0 3 329.440 3.412 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+](CCO)CC1CC1 ZINC000753533544 1299965881 /nfs/dbraw/zinc/96/58/81/1299965881.db2.gz WGFZFRSQUIONMJ-UHFFFAOYSA-N 0 3 327.424 3.176 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+](CCO)CC1CC1 ZINC000753533544 1299965888 /nfs/dbraw/zinc/96/58/88/1299965888.db2.gz WGFZFRSQUIONMJ-UHFFFAOYSA-N 0 3 327.424 3.176 20 10 EGCDHN C[C@@](O)(C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])C1CC1 ZINC000753566457 1299975695 /nfs/dbraw/zinc/97/56/95/1299975695.db2.gz QOBTZZWJOSVFRY-HXUWFJFHSA-N 0 3 327.424 3.222 20 10 EGCDHN C[C@@H]1C[C@H](CCNC(=O)c2cc([O-])cs2)C[N@@H+]1Cc1ccccc1 ZINC000753831635 1300028243 /nfs/dbraw/zinc/02/82/43/1300028243.db2.gz VWYFKCSTXZKROY-ZBFHGGJFSA-N 0 3 344.480 3.484 20 10 EGCDHN C[C@@H]1C[C@H](CCNC(=O)c2cc([O-])cs2)C[N@H+]1Cc1ccccc1 ZINC000753831635 1300028255 /nfs/dbraw/zinc/02/82/55/1300028255.db2.gz VWYFKCSTXZKROY-ZBFHGGJFSA-N 0 3 344.480 3.484 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+]CCCN2C[C@@H](C)O[C@@H](C)C2)c2c1c(F)ccc2[O-] ZINC000756369191 1300476593 /nfs/dbraw/zinc/47/65/93/1300476593.db2.gz RRUQABRVASCEOT-HGTKMLMNSA-N 0 3 336.451 3.169 20 10 EGCDHN C[C@H]1C[C@H]([NH2+]Cc2ccc(-n3cncn3)cc2)c2c1c(F)ccc2[O-] ZINC000756545354 1300519220 /nfs/dbraw/zinc/51/92/20/1300519220.db2.gz LUHCHYBPTSTEAF-LRDDRELGSA-N 0 3 338.386 3.450 20 10 EGCDHN CCC[C@H]1CCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000757851058 1300747330 /nfs/dbraw/zinc/74/73/30/1300747330.db2.gz ZMRHBMQYFDFDRL-KRWDZBQOSA-N 0 3 331.504 3.223 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2C2CCOCC2)c1[O-] ZINC000761216594 1301422702 /nfs/dbraw/zinc/42/27/02/1301422702.db2.gz SYCAVIGVXYMMID-OAHLLOKOSA-N 0 3 325.836 3.445 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2C2CCOCC2)c1[O-] ZINC000761216594 1301422709 /nfs/dbraw/zinc/42/27/09/1301422709.db2.gz SYCAVIGVXYMMID-OAHLLOKOSA-N 0 3 325.836 3.445 20 10 EGCDHN Cc1cc(Cn2cc(CNC3CCCCC3)nn2)ccc1N(C)C ZINC000881378202 1301546502 /nfs/dbraw/zinc/54/65/02/1301546502.db2.gz IHVIJELLMBDZQG-UHFFFAOYSA-N 0 3 327.476 3.123 20 10 EGCDHN CCOc1ccc(C[NH2+]C[C@](C)(O)c2cccc(Cl)c2)c([O-])c1 ZINC000764979680 1302179818 /nfs/dbraw/zinc/17/98/18/1302179818.db2.gz NOVROTPRRPPJQR-SFHVURJKSA-N 0 3 335.831 3.442 20 10 EGCDHN CCOc1ccc(O)c(CN2CCN(c3ccccc3C)CC2)c1 ZINC000768192841 1302850855 /nfs/dbraw/zinc/85/08/55/1302850855.db2.gz UXGALOJVKDKKKY-UHFFFAOYSA-N 0 3 326.440 3.422 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+](Cc1cccc(F)c1)C1CC1)[C@H](O)CO2 ZINC000768439288 1302901961 /nfs/dbraw/zinc/90/19/61/1302901961.db2.gz FIXPXRUELBUWIY-GOSISDBHSA-N 0 3 329.371 3.122 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+](Cc1cccc(F)c1)C1CC1)[C@H](O)CO2 ZINC000768439288 1302901970 /nfs/dbraw/zinc/90/19/70/1302901970.db2.gz FIXPXRUELBUWIY-GOSISDBHSA-N 0 3 329.371 3.122 20 10 EGCDHN Oc1cc2c(cc1CN(Cc1cccc(F)c1)C1CC1)[C@H](O)CO2 ZINC000768439288 1302901980 /nfs/dbraw/zinc/90/19/80/1302901980.db2.gz FIXPXRUELBUWIY-GOSISDBHSA-N 0 3 329.371 3.122 20 10 EGCDHN CC[N@H+](Cc1cccc(Cl)c1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768440834 1302902621 /nfs/dbraw/zinc/90/26/21/1302902621.db2.gz ZJJSEANBINRVPD-KRWDZBQOSA-N 0 3 333.815 3.494 20 10 EGCDHN CC[N@@H+](Cc1cccc(Cl)c1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768440834 1302902630 /nfs/dbraw/zinc/90/26/30/1302902630.db2.gz ZJJSEANBINRVPD-KRWDZBQOSA-N 0 3 333.815 3.494 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CC=C(c3ccc(F)cc3)CC1)[C@H](O)CO2 ZINC000768441939 1302905068 /nfs/dbraw/zinc/90/50/68/1302905068.db2.gz MGVACWYDEKOVAN-LJQANCHMSA-N 0 3 341.382 3.246 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CC=C(c3ccc(F)cc3)CC1)[C@H](O)CO2 ZINC000768441939 1302905077 /nfs/dbraw/zinc/90/50/77/1302905077.db2.gz MGVACWYDEKOVAN-LJQANCHMSA-N 0 3 341.382 3.246 20 10 EGCDHN COC(=O)N1CC(N[C@@H](C)c2ccc(N3CCCCCC3)cc2)C1 ZINC000773071116 1303618339 /nfs/dbraw/zinc/61/83/39/1303618339.db2.gz JMMCZCPDEBLZFI-HNNXBMFYSA-N 0 3 331.460 3.168 20 10 EGCDHN Cc1ccc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)c(C)n1 ZINC000775648198 1304004046 /nfs/dbraw/zinc/00/40/46/1304004046.db2.gz CXNOWXWKEUQVGQ-INIZCTEOSA-N 0 3 325.456 3.386 20 10 EGCDHN C[C@@H](NCC(=O)N(C)CC1CCCCC1)c1ccc(N(C)C)cc1 ZINC000775836101 1304047554 /nfs/dbraw/zinc/04/75/54/1304047554.db2.gz JKSUPFFOTBZGAH-MRXNPFEDSA-N 0 3 331.504 3.442 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+]CC2(CCO)CCCC2)c1[O-] ZINC000776221550 1304116625 /nfs/dbraw/zinc/11/66/25/1304116625.db2.gz XGPHGOKZIAIYFW-UHFFFAOYSA-N 0 3 342.277 3.496 20 10 EGCDHN Cc1ccc(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)c([O-])c1O ZINC000780915263 1304751716 /nfs/dbraw/zinc/75/17/16/1304751716.db2.gz LKALSWZBIVKOKJ-UHFFFAOYSA-N 0 3 346.471 3.181 20 10 EGCDHN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C)C2=CCN(C)CC2)cc1 ZINC000781396198 1304822875 /nfs/dbraw/zinc/82/28/75/1304822875.db2.gz JVLWEVKMFXHZPE-QGZVFWFLSA-N 0 3 337.467 3.474 20 10 EGCDHN C/C(=C/c1ccco1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891245321 1304999376 /nfs/dbraw/zinc/99/93/76/1304999376.db2.gz COEFQAUJDHDMGI-ZDRDQBANSA-N 0 3 341.455 3.168 20 10 EGCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@]2(C)CC=CCC2)N(C)C)cc1 ZINC000891248923 1305000407 /nfs/dbraw/zinc/00/04/07/1305000407.db2.gz OQSPVDAYPUJVKM-ICSRJNTNSA-N 0 3 329.488 3.218 20 10 EGCDHN COc1ccc(CNCc2cnc(CC(F)(F)F)s2)c(O)c1 ZINC000894185308 1306267253 /nfs/dbraw/zinc/26/72/53/1306267253.db2.gz NJKMRZGNTKQFER-UHFFFAOYSA-N 0 3 332.347 3.252 20 10 EGCDHN COc1ccc(C[NH2+]Cc2cnc(CC(F)(F)F)s2)c([O-])c1 ZINC000894185308 1306267263 /nfs/dbraw/zinc/26/72/63/1306267263.db2.gz NJKMRZGNTKQFER-UHFFFAOYSA-N 0 3 332.347 3.252 20 10 EGCDHN CCOC(=O)C1(C[NH2+]Cc2cc(Cl)cc(OC)c2[O-])CCCC1 ZINC000792197004 1309143065 /nfs/dbraw/zinc/14/30/65/1309143065.db2.gz YXLKXWDPSDHHDV-UHFFFAOYSA-N 0 3 341.835 3.267 20 10 EGCDHN CC[C@@H]([NH2+]Cc1cccc(NS(C)(=O)=O)c1)c1ccc(C)cc1[O-] ZINC000794790244 1309595834 /nfs/dbraw/zinc/59/58/34/1309595834.db2.gz BJTBHIRCXQOHIM-QGZVFWFLSA-N 0 3 348.468 3.313 20 10 EGCDHN C[C@@H]([NH2+][C@@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccccc1[O-] ZINC000800994675 1310849844 /nfs/dbraw/zinc/84/98/44/1310849844.db2.gz YPDOMLOOVDIXLL-SJLPKXTDSA-N 0 3 338.451 3.277 20 10 EGCDHN CCC(CC)(CCO)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000802656871 1317022724 /nfs/dbraw/zinc/02/27/24/1317022724.db2.gz WBRNSNDCUQDHOY-UHFFFAOYSA-N 0 3 330.266 3.494 20 10 EGCDHN O=[N+]([O-])c1cc(CNCC2=CCCOC2)ccc1N1CCCCC1 ZINC000808429919 1317676574 /nfs/dbraw/zinc/67/65/74/1317676574.db2.gz KCSIUPWEYNZYDE-UHFFFAOYSA-N 0 3 331.416 3.021 20 10 EGCDHN CCN(CC)c1ccc(CN[C@H]2COc3ccccc3[C@H]2O)cc1F ZINC000808452788 1317679750 /nfs/dbraw/zinc/67/97/50/1317679750.db2.gz QPJRSYIJRPHRCT-FXAWDEMLSA-N 0 3 344.430 3.256 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCc2nnc3ccccn32)c1[O-] ZINC000808672045 1317712674 /nfs/dbraw/zinc/71/26/74/1317712674.db2.gz BAFMOFYFJNUXHQ-LBPRGKRZSA-N 0 3 330.819 3.290 20 10 EGCDHN CCOC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])C1 ZINC000808715547 1317720367 /nfs/dbraw/zinc/72/03/67/1317720367.db2.gz VRTUTSCFFBDBGA-DGCLKSJQSA-N 0 3 326.824 3.235 20 10 EGCDHN COc1ccccc1O[C@@H]1CCC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000809711159 1317872790 /nfs/dbraw/zinc/87/27/90/1317872790.db2.gz MOFXSBKJTHSMAE-OAHLLOKOSA-N 0 3 343.423 3.453 20 10 EGCDHN COc1ccccc1O[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000809711159 1317872794 /nfs/dbraw/zinc/87/27/94/1317872794.db2.gz MOFXSBKJTHSMAE-OAHLLOKOSA-N 0 3 343.423 3.453 20 10 EGCDHN C[N@@H+](Cc1ccc(OCc2ccccc2)cc1[O-])C[C@H](O)C1CC1 ZINC000809752193 1317890058 /nfs/dbraw/zinc/89/00/58/1317890058.db2.gz PDORUVSXMSIXCU-FQEVSTJZSA-N 0 3 327.424 3.174 20 10 EGCDHN C[N@H+](Cc1ccc(OCc2ccccc2)cc1[O-])C[C@H](O)C1CC1 ZINC000809752193 1317890064 /nfs/dbraw/zinc/89/00/64/1317890064.db2.gz PDORUVSXMSIXCU-FQEVSTJZSA-N 0 3 327.424 3.174 20 10 EGCDHN C[C@@H]([NH2+][C@H]1CC(=O)N(c2ccccc2F)C1)c1cc(F)ccc1[O-] ZINC000812741109 1318448056 /nfs/dbraw/zinc/44/80/56/1318448056.db2.gz QWGHWHDWEVFTFX-YPMHNXCESA-N 0 3 332.350 3.127 20 10 EGCDHN Cc1cc(CN[C@H](CC(=O)N(C)C)c2ccccc2)ccc1N(C)C ZINC000815082321 1318884274 /nfs/dbraw/zinc/88/42/74/1318884274.db2.gz KTLVWKKCTQCXRY-LJQANCHMSA-N 0 3 339.483 3.370 20 10 EGCDHN CCN(C)c1ccc(CN2CCC[C@](O)(C(F)(F)F)CC2)cc1 ZINC000815117729 1318898177 /nfs/dbraw/zinc/89/81/77/1318898177.db2.gz PGPUPNBXZDPCIB-MRXNPFEDSA-N 0 3 330.394 3.422 20 10 EGCDHN CN(C)c1ccc(CN(C)C(=O)CN(C)CC2CCCCC2)cc1 ZINC000913041489 1318965677 /nfs/dbraw/zinc/96/56/77/1318965677.db2.gz PTXSOMGBIHBPII-UHFFFAOYSA-N 0 3 331.504 3.223 20 10 EGCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1COCCO1 ZINC000815561406 1319016527 /nfs/dbraw/zinc/01/65/27/1319016527.db2.gz GGVMIMHISVBEIJ-IEBWSBKVSA-N 0 3 327.424 3.071 20 10 EGCDHN C[C@H](C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-])S(C)(=O)=O ZINC000815597876 1319023891 /nfs/dbraw/zinc/02/38/91/1319023891.db2.gz IAPBAVRDGHNKQP-QAPCUYQASA-N 0 3 347.480 3.089 20 10 EGCDHN COCCCN1CCC([NH2+]Cc2ccc3ccccc3c2[O-])CC1 ZINC000816545349 1319180148 /nfs/dbraw/zinc/18/01/48/1319180148.db2.gz NASVKJOTCZGDNM-UHFFFAOYSA-N 0 3 328.456 3.136 20 10 EGCDHN CN(Cc1c(F)ccc([O-])c1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000816569339 1319185678 /nfs/dbraw/zinc/18/56/78/1319185678.db2.gz IDQBCCGMNCXPFU-UHFFFAOYSA-N 0 3 336.382 3.247 20 10 EGCDHN C[C@@H]1C[C@@H](CO)CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000817412571 1319352418 /nfs/dbraw/zinc/35/24/18/1319352418.db2.gz MUNHMCNTHUQXRX-NVXWUHKLSA-N 0 3 347.459 3.035 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+]CCCC2(O)CCC2)c1[O-] ZINC000817415594 1319355388 /nfs/dbraw/zinc/35/53/88/1319355388.db2.gz ZMZCUHJDJZLILY-UHFFFAOYSA-N 0 3 328.250 3.248 20 10 EGCDHN CC[C@@H]([NH2+]C[C@H]1CNCCCO1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817983207 1319485721 /nfs/dbraw/zinc/48/57/21/1319485721.db2.gz ZIWVIGGNHFTABG-BXUZGUMPSA-N 0 3 333.259 3.118 20 10 EGCDHN CCn1ccnc1[C@@H](C)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818341615 1319530494 /nfs/dbraw/zinc/53/04/94/1319530494.db2.gz BUPMBRVYVJDUCV-HZPDHXFCSA-N 0 3 328.460 3.089 20 10 EGCDHN COC(=O)c1ccc(CNCc2ccc3c(c2)CCCN3C)cc1F ZINC000825166532 1320316286 /nfs/dbraw/zinc/31/62/86/1320316286.db2.gz BUCUXOAAJBANRS-UHFFFAOYSA-N 0 3 342.414 3.285 20 10 EGCDHN CC[C@H](NCc1ccc(N(CC)Cc2ccccc2)cc1)C(=O)NC ZINC000825315903 1320326767 /nfs/dbraw/zinc/32/67/67/1320326767.db2.gz HHBDIGHDTYFQLZ-FQEVSTJZSA-N 0 3 339.483 3.327 20 10 EGCDHN CN(C)c1ccc(CN(Cc2cc(=O)[nH]c(C3CC3)n2)C2CC2)cc1 ZINC000838794686 1320818171 /nfs/dbraw/zinc/81/81/71/1320818171.db2.gz YRCJBXCKUISGSU-UHFFFAOYSA-N 0 3 338.455 3.290 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)C(=O)NC(C)C)c1[O-] ZINC000840890800 1321171890 /nfs/dbraw/zinc/17/18/90/1321171890.db2.gz OPPHRJIRRASYLA-MNOVXSKESA-N 0 3 343.265 3.027 20 10 EGCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CS[C@@H](C)C2)c1[O-] ZINC000840957731 1321186274 /nfs/dbraw/zinc/18/62/74/1321186274.db2.gz DGNFJBUHCPYQRE-KWQFWETISA-N 0 3 332.263 3.147 20 10 EGCDHN CN(C)c1ccc(CN[C@@H](COC(N)=O)Cc2ccccc2)cc1F ZINC000840960510 1321187308 /nfs/dbraw/zinc/18/73/08/1321187308.db2.gz IUQOTGGYUBMXNF-MRXNPFEDSA-N 0 3 345.418 3.102 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H](N)c2ccccc2)c1[O-] ZINC000841037399 1321206245 /nfs/dbraw/zinc/20/62/45/1321206245.db2.gz PSHFRSDRDJFRKZ-OAHLLOKOSA-N 0 3 335.245 3.253 20 10 EGCDHN CC[C@@H](NCc1ccc(OC)c(C)c1)C(=O)NCc1cccs1 ZINC000842750515 1321427675 /nfs/dbraw/zinc/42/76/75/1321427675.db2.gz ROFIRIUXZREBKM-MRXNPFEDSA-N 0 3 332.469 3.250 20 10 EGCDHN O=[N+]([O-])c1cc(CN2CC[C@@H]3OCC[C@@H]3C2)ccc1N1CCCCC1 ZINC000843421329 1321515420 /nfs/dbraw/zinc/51/54/20/1321515420.db2.gz XOJVUFVSPWJMIW-APWZRJJASA-N 0 3 345.443 3.196 20 10 EGCDHN CCCNC(=O)c1cccc(CN[C@@H](C)c2cccc(OC)c2O)c1 ZINC000846142233 1321770611 /nfs/dbraw/zinc/77/06/11/1321770611.db2.gz YFDVOKAGKOYOEN-AWEZNQCLSA-N 0 3 342.439 3.391 20 10 EGCDHN CC[C@H](C)NC(=O)[C@@H](C)NCc1cc(OC)cc(C(C)(C)C)c1O ZINC000850096918 1322192260 /nfs/dbraw/zinc/19/22/60/1322192260.db2.gz RUSPXDZKYBCBKY-QWHCGFSZSA-N 0 3 336.476 3.091 20 10 EGCDHN Cc1c[nH]c(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)n1 ZINC000850114317 1322193718 /nfs/dbraw/zinc/19/37/18/1322193718.db2.gz BXWCNRTWKJARIC-UHFFFAOYSA-N 0 3 336.386 3.078 20 10 EGCDHN Cc1ccc(CNCc2ccc(N3CCC(O)CC3)cc2)cc1F ZINC000850406268 1322240813 /nfs/dbraw/zinc/24/08/13/1322240813.db2.gz ZIUKPMHWKGHDNE-UHFFFAOYSA-N 0 3 328.431 3.385 20 10 EGCDHN COC[C@H](N[C@@H](C)c1cc(OC)ccc1O)c1cccc(OC)c1 ZINC000850515372 1322259473 /nfs/dbraw/zinc/25/94/73/1322259473.db2.gz XCOVZICQVIGSFH-UGSOOPFHSA-N 0 3 331.412 3.448 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C2CCN([C@H]3CCOC3)CC2)c1[O-] ZINC000850558082 1322267045 /nfs/dbraw/zinc/26/70/45/1322267045.db2.gz PUBYWGSVDQGONZ-BBRMVZONSA-N 0 3 338.879 3.258 20 10 EGCDHN CC(C)n1cc([C@@H](C)NCc2ccc(N3CCC(O)CC3)cc2)cn1 ZINC000850566205 1322269157 /nfs/dbraw/zinc/26/91/57/1322269157.db2.gz LTKNGOGGOYKDSA-MRXNPFEDSA-N 0 3 342.487 3.276 20 10 EGCDHN CCOCc1cc(CNCc2ccc3c(c2)ncn3C)ccc1OC ZINC000922482438 1322539354 /nfs/dbraw/zinc/53/93/54/1322539354.db2.gz MHLLRLSGYZVRGN-UHFFFAOYSA-N 0 3 339.439 3.408 20 10 EGCDHN C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@@H]1CO ZINC000857060997 1325564612 /nfs/dbraw/zinc/56/46/12/1325564612.db2.gz HSYSPIJYFYCPMI-VQIMIIECSA-N 0 3 341.451 3.422 20 10 EGCDHN C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@@H]1CO ZINC000857060997 1325564619 /nfs/dbraw/zinc/56/46/19/1325564619.db2.gz HSYSPIJYFYCPMI-VQIMIIECSA-N 0 3 341.451 3.422 20 10 EGCDHN CC(C)[NH+]1CCC(N(C)Cc2c([O-])cccc2Br)CC1 ZINC000862216006 1329466427 /nfs/dbraw/zinc/46/64/27/1329466427.db2.gz QEISIKCRMJBYPN-UHFFFAOYSA-N 0 3 341.293 3.459 20 10 EGCDHN Cc1cc([O-])c(C[NH+]2CCC(C)(N3CCOCC3)CC2)cc1Cl ZINC000862504824 1329491855 /nfs/dbraw/zinc/49/18/55/1329491855.db2.gz QFNVOSFFZMDEIV-UHFFFAOYSA-N 0 3 338.879 3.041 20 10 EGCDHN COC1CCN(c2ccc(CN[C@H](C)c3cnn(C)c3C)cc2)CC1 ZINC001325191010 1387912639 /nfs/dbraw/zinc/91/26/39/1387912639.db2.gz BZFQWXFDJMQYQI-OAHLLOKOSA-N 0 3 342.487 3.195 20 10 EGCDHN O=C(NC1CC[NH+](Cc2ccccc2[O-])CC1)Oc1ccccc1 ZINC001194272102 1368220756 /nfs/dbraw/zinc/22/07/56/1368220756.db2.gz CPXRAVLINZLJSZ-UHFFFAOYSA-N 0 3 326.396 3.145 20 10 EGCDHN O=C(NC1CC[NH+](Cc2ccccc2[O-])CC1)Oc1ccc(F)cc1 ZINC001195066141 1368370383 /nfs/dbraw/zinc/37/03/83/1368370383.db2.gz KJPNQZDYUAZWJM-UHFFFAOYSA-N 0 3 344.386 3.284 20 10 EGCDHN COCCOc1ccc(N2CCN(CCc3ccccc3)CC2)cc1 ZINC001201606318 1369588426 /nfs/dbraw/zinc/58/84/26/1369588426.db2.gz XMCBRTYQMXUVBE-UHFFFAOYSA-N 0 3 340.467 3.077 20 10 EGCDHN COc1cccc(CN2CCN(c3ccc(C)cc3C)CC2)c1O ZINC001203596809 1370182789 /nfs/dbraw/zinc/18/27/89/1370182789.db2.gz NHQGJXAJGZDJPE-UHFFFAOYSA-N 0 3 326.440 3.340 20 10 EGCDHN COc1ccc(C[N@H+](C)CCc2ccc(OC)c(OC)c2)c([O-])c1 ZINC001203621574 1370190083 /nfs/dbraw/zinc/19/00/83/1370190083.db2.gz XVCJCSODCIEZMF-UHFFFAOYSA-N 0 3 331.412 3.093 20 10 EGCDHN COc1ccc(C[N@@H+](C)CCc2ccc(OC)c(OC)c2)c([O-])c1 ZINC001203621574 1370190084 /nfs/dbraw/zinc/19/00/84/1370190084.db2.gz XVCJCSODCIEZMF-UHFFFAOYSA-N 0 3 331.412 3.093 20 10 EGCDHN CC(=O)OC[C@H]1CCC2(C1)CCN(Cc1ccc(O)c(O)c1)CC2 ZINC001203880930 1370298093 /nfs/dbraw/zinc/29/80/93/1370298093.db2.gz KCUBNGHFEULTPV-INIZCTEOSA-N 0 3 333.428 3.043 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC(Oc3ncccn3)CC2)cc1 ZINC001203939130 1370322233 /nfs/dbraw/zinc/32/22/33/1370322233.db2.gz KPMIBPWBZHLVSG-UHFFFAOYSA-N 0 3 340.471 3.366 20 10 EGCDHN Oc1ccc(CN2CCN([C@@H]3CCCc4ccccc43)CC2)c(O)c1 ZINC001204281880 1370431277 /nfs/dbraw/zinc/43/12/77/1370431277.db2.gz YPEKGFGLOQVFMG-HXUWFJFHSA-N 0 3 338.451 3.293 20 10 EGCDHN Cc1ccnc(O[C@@H]2CCN(Cc3ccc(N4CCCC4)cc3)C2)n1 ZINC001204329638 1370445664 /nfs/dbraw/zinc/44/56/64/1370445664.db2.gz SORHCUHCMNALPW-LJQANCHMSA-N 0 3 338.455 3.039 20 10 EGCDHN Fc1cc(CNCc2cccn2C2CC2)ccc1N1CCOCC1 ZINC001117784398 1371083448 /nfs/dbraw/zinc/08/34/48/1371083448.db2.gz PSQYOIIKYVKYBP-UHFFFAOYSA-N 0 3 329.419 3.089 20 10 EGCDHN CC(=O)N[C@@H]1CCCN(Cc2ccc(-n3c(C)ccc3C)cc2)C1 ZINC001209518172 1372127093 /nfs/dbraw/zinc/12/70/93/1372127093.db2.gz OJIWIHZFCJQQFR-LJQANCHMSA-N 0 3 325.456 3.195 20 10 EGCDHN C[C@@H]1CC[NH2+]CC[C@@H]1Oc1c(O)c([O-])ccc1C(=O)c1ccccc1 ZINC001218025252 1373541371 /nfs/dbraw/zinc/54/13/71/1373541371.db2.gz RXUKHQQZKOQFKQ-DYVFJYSZSA-N 0 3 341.407 3.096 20 10 EGCDHN CCOc1ccc(N2CCN(Cc3cccc4c[nH]nc43)CC2)cc1 ZINC001231975856 1376367485 /nfs/dbraw/zinc/36/74/85/1376367485.db2.gz VKZRYJVRSDQMQI-UHFFFAOYSA-N 0 3 336.439 3.284 20 10 EGCDHN COc1cc([O-])c(CN2CCN(c3cc[nH+]cc3C)CC2)cc1Cl ZINC001232270501 1376428355 /nfs/dbraw/zinc/42/83/55/1376428355.db2.gz CHALDUBKFCDVCQ-UHFFFAOYSA-N 0 3 347.846 3.080 20 10 EGCDHN CC1(C)C[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])[C@](C)(CO)C1 ZINC001233728468 1376704026 /nfs/dbraw/zinc/70/40/26/1376704026.db2.gz XMEXRLALHHSGAH-HNNXBMFYSA-N 0 3 333.350 3.274 20 10 EGCDHN CC1(C)C[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])[C@](C)(CO)C1 ZINC001233728468 1376704028 /nfs/dbraw/zinc/70/40/28/1376704028.db2.gz XMEXRLALHHSGAH-HNNXBMFYSA-N 0 3 333.350 3.274 20 10 EGCDHN CC(C)c1ccc(C[N@@H+]2C[C@@H]3[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c([O-])c1 ZINC001237051552 1376972627 /nfs/dbraw/zinc/97/26/27/1376972627.db2.gz MWIGDFBBAPBJJE-ALXJQNPVSA-N 0 3 346.471 3.471 20 10 EGCDHN CC(C)c1ccc(C[N@H+]2C[C@@H]3[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c([O-])c1 ZINC001237051552 1376972642 /nfs/dbraw/zinc/97/26/42/1376972642.db2.gz MWIGDFBBAPBJJE-ALXJQNPVSA-N 0 3 346.471 3.471 20 10 EGCDHN [O-]c1c(F)cccc1C[NH+]1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001138127802 1377681085 /nfs/dbraw/zinc/68/10/85/1377681085.db2.gz QPETWVGGRPDCDQ-ROUUACIJSA-N 0 3 326.415 3.095 20 10 EGCDHN [O-]c1c(F)cccc1C[N@@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001138130658 1377682824 /nfs/dbraw/zinc/68/28/24/1377682824.db2.gz FPIRHDWLQGEEDU-APWZRJJASA-N 0 3 326.415 3.238 20 10 EGCDHN [O-]c1c(F)cccc1C[N@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001138130658 1377682828 /nfs/dbraw/zinc/68/28/28/1377682828.db2.gz FPIRHDWLQGEEDU-APWZRJJASA-N 0 3 326.415 3.238 20 10 EGCDHN [O-]c1c(F)cccc1CN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001138130658 1377682832 /nfs/dbraw/zinc/68/28/32/1377682832.db2.gz FPIRHDWLQGEEDU-APWZRJJASA-N 0 3 326.415 3.238 20 10 EGCDHN [O-]c1c(F)cccc1CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001138130658 1377682833 /nfs/dbraw/zinc/68/28/33/1377682833.db2.gz FPIRHDWLQGEEDU-APWZRJJASA-N 0 3 326.415 3.238 20 10 EGCDHN Cc1cnc2c(c1)CN(Cc1cc3c4c(c1O)CCCN4CCC3)CC2 ZINC001138342343 1377706494 /nfs/dbraw/zinc/70/64/94/1377706494.db2.gz RCLNLUVRFDRGSV-UHFFFAOYSA-N 0 3 349.478 3.353 20 10 EGCDHN CCN(CC)c1ccc(CN2CCN3CCCC[C@H]3C2)c(OC)c1 ZINC001138389650 1377714398 /nfs/dbraw/zinc/71/43/98/1377714398.db2.gz RVBLMMQMVHQMFX-IBGZPJMESA-N 0 3 331.504 3.212 20 10 EGCDHN CCN(CC)c1ccc(CN2CC[C@H](c3nc(C)no3)C2)c(OC)c1 ZINC001138390503 1377714473 /nfs/dbraw/zinc/71/44/73/1377714473.db2.gz ZMWCLHRRUDMKOJ-INIZCTEOSA-N 0 3 344.459 3.222 20 10 EGCDHN C[C@H]1CN(c2ccc(CN(C)Cc3ccccc3O)cn2)C[C@H](C)O1 ZINC001139384612 1377877381 /nfs/dbraw/zinc/87/73/81/1377877381.db2.gz DAUDGXCYYYWOSE-HOTGVXAUSA-N 0 3 341.455 3.033 20 10 EGCDHN Cc1cc(CN2CCCc3cc(O)c(O)cc3C2)ccc1N(C)C ZINC001139673938 1377931279 /nfs/dbraw/zinc/93/12/79/1377931279.db2.gz NTMHJPUDHJWCAJ-UHFFFAOYSA-N 0 3 326.440 3.421 20 10 EGCDHN Cc1cncnc1OC1CCN(Cc2ccc(N(C)C)c(C)c2)CC1 ZINC001139674598 1377932177 /nfs/dbraw/zinc/93/21/77/1377932177.db2.gz XLNURCCBKLGAJT-UHFFFAOYSA-N 0 3 340.471 3.203 20 10 EGCDHN O=C1c2ccccc2CN1C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC001140060062 1377998456 /nfs/dbraw/zinc/99/84/56/1377998456.db2.gz JIVMZDGWFVVCHV-UHFFFAOYSA-N 0 3 340.398 3.152 20 10 EGCDHN CC(C)(C)OC(=O)N1CCC[NH+](Cc2cc(F)ccc2[O-])CCC1 ZINC001140060189 1377998601 /nfs/dbraw/zinc/99/86/01/1377998601.db2.gz ONSHEVMHFDOWQE-UHFFFAOYSA-N 0 3 338.423 3.364 20 10 EGCDHN O=C(NC1CCCC1)[C@H]1CC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001272618133 1378076500 /nfs/dbraw/zinc/07/65/00/1378076500.db2.gz BURHEQKUGYXDOA-QGZVFWFLSA-N 0 3 328.456 3.053 20 10 EGCDHN Fc1cc(N2CCOCC2)ccc1CN1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001140660521 1378108212 /nfs/dbraw/zinc/10/82/12/1378108212.db2.gz UUBARSNPFCPTOF-GASCZTMLSA-N 0 3 340.389 3.139 20 10 EGCDHN COc1cccc(CN2CCN(Cc3ccc(C)cc3O)CC2)c1 ZINC001140950714 1378190045 /nfs/dbraw/zinc/19/00/45/1378190045.db2.gz FEMUBIOPVDVHOD-UHFFFAOYSA-N 0 3 326.440 3.027 20 10 EGCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H](c3ccccn3)C2)c(OC)c1 ZINC001141028162 1378212508 /nfs/dbraw/zinc/21/25/08/1378212508.db2.gz DFKQTWBJDDDKEP-AWEZNQCLSA-N 0 3 328.412 3.184 20 10 EGCDHN COc1cc([O-])c(C[N@H+]2CCC[C@H](c3ccccn3)C2)c(OC)c1 ZINC001141028162 1378212513 /nfs/dbraw/zinc/21/25/13/1378212513.db2.gz DFKQTWBJDDDKEP-AWEZNQCLSA-N 0 3 328.412 3.184 20 10 EGCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](Oc3ccccc3C)C2)c(OC)c1 ZINC001141028669 1378213231 /nfs/dbraw/zinc/21/32/31/1378213231.db2.gz ZHDSFSGYHCUZKF-OAHLLOKOSA-N 0 3 343.423 3.371 20 10 EGCDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](Oc3ccccc3C)C2)c(OC)c1 ZINC001141028669 1378213238 /nfs/dbraw/zinc/21/32/38/1378213238.db2.gz ZHDSFSGYHCUZKF-OAHLLOKOSA-N 0 3 343.423 3.371 20 10 EGCDHN CN1CCOc2cc(CN3CC[C@@H](CC(=O)OC(C)(C)C)C3)ccc21 ZINC001141144992 1378248213 /nfs/dbraw/zinc/24/82/13/1378248213.db2.gz NQIXZOPIMSXXCQ-INIZCTEOSA-N 0 3 346.471 3.069 20 10 EGCDHN CC(C)(C)c1cccc(CN2CC3CC2(C(=O)N2CCCC2)C3)c1O ZINC001143107710 1378542530 /nfs/dbraw/zinc/54/25/30/1378542530.db2.gz BEJACLXOJLMJTA-UHFFFAOYSA-N 0 3 342.483 3.277 20 10 EGCDHN CN(Cc1cc2cccnc2[nH]1)Cc1ccc(N2CCOCC2)cc1 ZINC001143220769 1378564107 /nfs/dbraw/zinc/56/41/07/1378564107.db2.gz RLOHQDDFQNWLIV-UHFFFAOYSA-N 0 3 336.439 3.032 20 10 EGCDHN CC(C)(C)CNC(=O)C(C)(C)NCc1ccc(N2CCCC2)cc1 ZINC001319427375 1386117041 /nfs/dbraw/zinc/11/70/41/1386117041.db2.gz NQKLMHSWSSNQOW-UHFFFAOYSA-N 0 3 331.504 3.317 20 10 EGCDHN C[C@H](NCc1cc(F)c(N(C)C)cc1F)[C@H](O)c1cccc(F)c1 ZINC001331272695 1389680065 /nfs/dbraw/zinc/68/00/65/1389680065.db2.gz UGOSTYNSRFZDST-VOJFVSQTSA-N 0 3 338.373 3.382 20 10 EGCDHN C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)c1ccccc1[O-] ZINC001331743464 1389864951 /nfs/dbraw/zinc/86/49/51/1389864951.db2.gz MICDNQZQPXWFNE-OAHLLOKOSA-N 0 3 343.446 3.134 20 10 EGCDHN COc1ccc(CNC/C=C\CNC(=O)c2cccs2)cc1C ZINC001754091922 1440540681 /nfs/dbraw/zinc/54/06/81/1440540681.db2.gz MKUAMGHWVNZTBL-ARJAWSKDSA-N 0 3 330.453 3.141 20 10 EGCDHN Cc1ccccc1C[C@@H](CO)NCc1cc(F)c(N(C)C)cc1F ZINC001331277203 1126175410 /nfs/dbraw/zinc/17/54/10/1126175410.db2.gz HOKAUDITVRPURD-INIZCTEOSA-N 0 3 334.410 3.032 20 10 EGCDHN COc1cccc(CN2CCN(c3cccc4[nH]ccc43)CC2)c1O ZINC000529669376 313382515 /nfs/dbraw/zinc/38/25/15/313382515.db2.gz MBJOUQBJQSSTQZ-UHFFFAOYSA-N 0 3 337.423 3.204 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)Cn2ccnc2)c1[O-] ZINC000275368091 456273615 /nfs/dbraw/zinc/27/36/15/456273615.db2.gz UZLFBXSWQPVPCX-VXGBXAGGSA-N 0 3 338.249 3.399 20 10 EGCDHN CCN(C)c1ccc([C@H](C)NCc2ccc(NC(N)=O)cc2)cc1 ZINC000130875388 454222721 /nfs/dbraw/zinc/22/27/21/454222721.db2.gz BDKBRMKUTYVYQH-AWEZNQCLSA-N 0 3 326.444 3.484 20 10 EGCDHN Cc1cc(C(=O)NC2CCN(C3CC3)CC2)c(C)n1-c1ccccc1 ZINC000074001327 454516512 /nfs/dbraw/zinc/51/65/12/454516512.db2.gz SNFYDNGBKQTNOO-UHFFFAOYSA-N 0 3 337.467 3.451 20 10 EGCDHN COc1cccc(C[NH+]2CCC([C@@H](O)c3ccc(F)cc3)CC2)c1[O-] ZINC000093280296 454698639 /nfs/dbraw/zinc/69/86/39/454698639.db2.gz NHLQPHUUTVYEKF-IBGZPJMESA-N 0 3 345.414 3.486 20 10 EGCDHN COc1cccc(CN2CCC([C@@H](O)c3ccc(F)cc3)CC2)c1O ZINC000093280296 454698643 /nfs/dbraw/zinc/69/86/43/454698643.db2.gz NHLQPHUUTVYEKF-IBGZPJMESA-N 0 3 345.414 3.486 20 10 EGCDHN COc1cccc(C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)c1[O-] ZINC000093684163 454729317 /nfs/dbraw/zinc/72/93/17/454729317.db2.gz KZUQXKGUARYQSA-QGZVFWFLSA-N 0 3 327.424 3.440 20 10 EGCDHN COc1cccc(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)c1[O-] ZINC000093684163 454729320 /nfs/dbraw/zinc/72/93/20/454729320.db2.gz KZUQXKGUARYQSA-QGZVFWFLSA-N 0 3 327.424 3.440 20 10 EGCDHN CCC[N@H+](C)C[C@H]1CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000093741880 454731360 /nfs/dbraw/zinc/73/13/60/454731360.db2.gz VSBOJWIHKRYESM-CYBMUJFWSA-N 0 3 341.293 3.318 20 10 EGCDHN CCC[N@@H+](C)C[C@H]1CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000093741880 454731365 /nfs/dbraw/zinc/73/13/65/454731365.db2.gz VSBOJWIHKRYESM-CYBMUJFWSA-N 0 3 341.293 3.318 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+](C)C[C@@H]2CCCOC2)c1[O-] ZINC000124592020 454751403 /nfs/dbraw/zinc/75/14/03/454751403.db2.gz JZDKPXGCBVNXCU-LBPRGKRZSA-N 0 3 328.250 3.322 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+](C)C[C@@H]2CCCOC2)c1[O-] ZINC000124592020 454751407 /nfs/dbraw/zinc/75/14/07/454751407.db2.gz JZDKPXGCBVNXCU-LBPRGKRZSA-N 0 3 328.250 3.322 20 10 EGCDHN COc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])c(OC)c1OC ZINC000185067444 455494826 /nfs/dbraw/zinc/49/48/26/455494826.db2.gz XMNILFFLSOCPGQ-LLVKDONJSA-N 0 3 335.375 3.408 20 10 EGCDHN CN(C)c1ccc(CN2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000179736493 455071531 /nfs/dbraw/zinc/07/15/31/455071531.db2.gz NRINXBBLOQUAFB-MRXNPFEDSA-N 0 3 333.476 3.099 20 10 EGCDHN C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3cc(F)ccc3[O-])CC2)C1 ZINC000179942280 455103490 /nfs/dbraw/zinc/10/34/90/455103490.db2.gz ZKPDYWSRIYCQCT-AWEZNQCLSA-N 0 3 334.435 3.002 20 10 EGCDHN Cc1cccc(CN2CCCN(C(=O)Oc3ccccc3)CC2)c1O ZINC000180012229 455115567 /nfs/dbraw/zinc/11/55/67/455115567.db2.gz XZPFOZRHYCJLFX-UHFFFAOYSA-N 0 3 340.423 3.407 20 10 EGCDHN C[C@H](NCC(=O)NCC1CC1)c1ccc(N2CCCCCC2)cc1 ZINC000181295361 455314960 /nfs/dbraw/zinc/31/49/60/455314960.db2.gz CSFOHIZRPURVGS-INIZCTEOSA-N 0 3 329.488 3.244 20 10 EGCDHN COCCCOC1CCN(Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000184696532 455430526 /nfs/dbraw/zinc/43/05/26/455430526.db2.gz CQTBNQMHCSSBPM-UHFFFAOYSA-N 0 3 343.851 3.072 20 10 EGCDHN C[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1cc(Cl)ccc1[O-] ZINC000185491636 455566445 /nfs/dbraw/zinc/56/64/45/455566445.db2.gz GSJWMPRGGOWBJZ-ZIAGYGMSSA-N 0 3 338.879 3.197 20 10 EGCDHN COc1ccc([C@H](CN(C)C)NCc2cc(C)c(C)cc2O)cc1 ZINC000283933021 455613393 /nfs/dbraw/zinc/61/33/93/455613393.db2.gz JIUARRZQHSOZGO-IBGZPJMESA-N 0 3 328.456 3.410 20 10 EGCDHN C[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1ccc(F)cc1[O-] ZINC000185869910 455638437 /nfs/dbraw/zinc/63/84/37/455638437.db2.gz IYAFIHLHUSJVDA-CQSZACIVSA-N 0 3 329.419 3.494 20 10 EGCDHN COc1ccc([C@H](CN(C)C)N[C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000284260715 455659354 /nfs/dbraw/zinc/65/93/54/455659354.db2.gz GILBPSLISCLDMO-LIRRHRJNSA-N 0 3 344.455 3.363 20 10 EGCDHN C[C@@H]([NH2+][C@H]1CCN(c2ccccc2F)C1=O)c1cc(F)ccc1[O-] ZINC000186022990 455678137 /nfs/dbraw/zinc/67/81/37/455678137.db2.gz NYLNGVBFMQXAMY-ABAIWWIYSA-N 0 3 332.350 3.127 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCc2ccc(OC)c(OC)c2)c1 ZINC000192864069 455708636 /nfs/dbraw/zinc/70/86/36/455708636.db2.gz GTERHWJICGJZQK-ZDUSSCGKSA-N 0 3 331.412 3.311 20 10 EGCDHN CCCC(=O)NC[C@@H]1CCCN(Cc2ccc(N(C)C)c(C)c2)C1 ZINC000293039395 455772100 /nfs/dbraw/zinc/77/21/00/455772100.db2.gz JPZULPIVUUMKSY-SFHVURJKSA-N 0 3 331.504 3.189 20 10 EGCDHN C[C@H](CCO)CC[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000294671105 455823515 /nfs/dbraw/zinc/82/35/15/455823515.db2.gz AOCXGKWONPUGSM-INIZCTEOSA-N 0 3 329.440 3.469 20 10 EGCDHN COc1cccc(C[N@H+](C[C@H](O)COc2ccccc2)C(C)C)c1[O-] ZINC000278584992 455842074 /nfs/dbraw/zinc/84/20/74/455842074.db2.gz DOMVTXDTVALUGX-KRWDZBQOSA-N 0 3 345.439 3.051 20 10 EGCDHN COc1cccc(C[N@@H+](C[C@H](O)COc2ccccc2)C(C)C)c1[O-] ZINC000278584992 455842081 /nfs/dbraw/zinc/84/20/81/455842081.db2.gz DOMVTXDTVALUGX-KRWDZBQOSA-N 0 3 345.439 3.051 20 10 EGCDHN CC(=O)Nc1ccc(CNCc2ccc(N3CCCCC3)cc2)cn1 ZINC000278675734 455844392 /nfs/dbraw/zinc/84/43/92/455844392.db2.gz OQJZIKOWLCIUMI-UHFFFAOYSA-N 0 3 338.455 3.320 20 10 EGCDHN CCn1nccc1C1CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC000278710786 455845072 /nfs/dbraw/zinc/84/50/72/455845072.db2.gz KBWWZVUXLJCDBX-UHFFFAOYSA-N 0 3 345.443 3.005 20 10 EGCDHN CCn1nccc1C1CC[NH+](Cc2cc(OC)c(OC)cc2[O-])CC1 ZINC000278710786 455845075 /nfs/dbraw/zinc/84/50/75/455845075.db2.gz KBWWZVUXLJCDBX-UHFFFAOYSA-N 0 3 345.443 3.005 20 10 EGCDHN CO[C@H](c1ccccc1F)[C@H](C)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000272112586 455849864 /nfs/dbraw/zinc/84/98/64/455849864.db2.gz XZCZJQLVJAQAAL-VOJFVSQTSA-N 0 3 333.359 3.126 20 10 EGCDHN O=C1CCCN1Cc1ccccc1C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296080928 455868157 /nfs/dbraw/zinc/86/81/57/455868157.db2.gz SNWXZBVTFOVURU-GOSISDBHSA-N 0 3 336.435 3.292 20 10 EGCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H](c1ccccc1)N1CCOCC1)CC2 ZINC000296129506 455869544 /nfs/dbraw/zinc/86/95/44/455869544.db2.gz VSLINMREBVXAFJ-RBUKOAKNSA-N 0 3 338.451 3.043 20 10 EGCDHN CC[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1ccc(C)cc1[O-] ZINC000280132161 455899674 /nfs/dbraw/zinc/89/96/74/455899674.db2.gz OZZRLAPUAKLKCT-GOSISDBHSA-N 0 3 347.480 3.486 20 10 EGCDHN C[C@@H](C[S@](C)=O)N(C)Cc1ccc(OCc2ccccc2)cc1O ZINC000187838932 455960380 /nfs/dbraw/zinc/96/03/80/455960380.db2.gz SKUQPHLTXFXWMD-OWJWWREXSA-N 0 3 347.480 3.170 20 10 EGCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1 ZINC000272693274 456042391 /nfs/dbraw/zinc/04/23/91/456042391.db2.gz XHYRWLFMDCDHJE-GJZGRUSLSA-N 0 3 334.460 3.436 20 10 EGCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1 ZINC000272693274 456042394 /nfs/dbraw/zinc/04/23/94/456042394.db2.gz XHYRWLFMDCDHJE-GJZGRUSLSA-N 0 3 334.460 3.436 20 10 EGCDHN Cc1ccc(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c([O-])c1O ZINC000272724126 456052458 /nfs/dbraw/zinc/05/24/58/456052458.db2.gz IDGGHBNVIODYEL-UHFFFAOYSA-N 0 3 346.471 3.134 20 10 EGCDHN C[C@H]([NH2+]CCCn1cc(Br)cn1)c1cc(F)ccc1[O-] ZINC000287447196 456069384 /nfs/dbraw/zinc/06/93/84/456069384.db2.gz UTZTXYMAOBLOQP-JTQLQIEISA-N 0 3 342.212 3.231 20 10 EGCDHN CC(=O)N1CCC[C@H](C[NH2+][C@H](C)c2cc3c(cc2[O-])CCCC3)C1 ZINC000280890557 456073014 /nfs/dbraw/zinc/07/30/14/456073014.db2.gz FBKCLMZPCWHGIV-GDBMZVCRSA-N 0 3 330.472 3.180 20 10 EGCDHN CC(=O)N1CCC[C@@H](C[NH2+][C@@H](C)c2cc3c(cc2[O-])CCCC3)C1 ZINC000280890562 456073566 /nfs/dbraw/zinc/07/35/66/456073566.db2.gz FBKCLMZPCWHGIV-HOCLYGCPSA-N 0 3 330.472 3.180 20 10 EGCDHN Cc1ccc(C)n1C1CC[NH+](Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000271140680 456138029 /nfs/dbraw/zinc/13/80/29/456138029.db2.gz AFDSHGRRTUQODO-UHFFFAOYSA-N 0 3 328.412 3.376 20 10 EGCDHN CCCOc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c([O-])c1 ZINC000289842868 456152131 /nfs/dbraw/zinc/15/21/31/456152131.db2.gz URFDHICOBAIFDZ-UKRRQHHQSA-N 0 3 347.377 3.174 20 10 EGCDHN CCCOc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c([O-])c1 ZINC000289842868 456152138 /nfs/dbraw/zinc/15/21/38/456152138.db2.gz URFDHICOBAIFDZ-UKRRQHHQSA-N 0 3 347.377 3.174 20 10 EGCDHN COc1cc([O-])c(C[NH2+][C@H](C)CN(C)Cc2ccccc2)cc1OC ZINC000289983002 456205971 /nfs/dbraw/zinc/20/59/71/456205971.db2.gz BSJUMTPDKYKFAG-OAHLLOKOSA-N 0 3 344.455 3.020 20 10 EGCDHN Cc1ccc([C@H](C)NCC(=O)N(C)Cc2ccccc2)c(O)c1C ZINC000273296422 456222259 /nfs/dbraw/zinc/22/22/59/456222259.db2.gz ACGSJUFNQOZVLK-INIZCTEOSA-N 0 3 326.440 3.318 20 10 EGCDHN Cc1ccc([C@H](C)NCCS(=O)(=O)c2ccccc2)c(O)c1C ZINC000273435175 456229683 /nfs/dbraw/zinc/22/96/83/456229683.db2.gz WTMUZGKBDNYIJW-HNNXBMFYSA-N 0 3 333.453 3.134 20 10 EGCDHN Cc1ccc([C@H](C)N[C@H](C)C(=O)NCc2ccccc2)c(O)c1C ZINC000273430416 456230712 /nfs/dbraw/zinc/23/07/12/456230712.db2.gz VLPCJLKSNXBRTB-JKSUJKDBSA-N 0 3 326.440 3.365 20 10 EGCDHN COC(=O)COc1cccc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2[O-])c1 ZINC000273450763 456232016 /nfs/dbraw/zinc/23/20/16/456232016.db2.gz GAHZSNUSCLOGKG-HNNXBMFYSA-N 0 3 343.423 3.412 20 10 EGCDHN COc1cc(OC)cc([C@@H](O)C[NH2+][C@H](C)c2ccc(C)c(C)c2[O-])c1 ZINC000273552530 456237765 /nfs/dbraw/zinc/23/77/65/456237765.db2.gz GDVPYBWJCSMLRL-KUHUBIRLSA-N 0 3 345.439 3.410 20 10 EGCDHN C[C@@H]([NH2+]Cc1cccc(C(=O)NC2CC2)c1)c1cc(F)ccc1[O-] ZINC000273562351 456239000 /nfs/dbraw/zinc/23/90/00/456239000.db2.gz IOPIIXUYDWJXKR-GFCCVEGCSA-N 0 3 328.387 3.274 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]CCCNC(=O)c2cccc(O)c2)c([O-])c1C ZINC000273562957 456239700 /nfs/dbraw/zinc/23/97/00/456239700.db2.gz IQJVVZOSIHQJMS-OAHLLOKOSA-N 0 3 342.439 3.185 20 10 EGCDHN O=C(/C=C/c1cncs1)N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000281582343 456270683 /nfs/dbraw/zinc/27/06/83/456270683.db2.gz GALBAEJHFMLXRR-KIUWMYQTSA-N 0 3 325.437 3.168 20 10 EGCDHN CN(C)c1ccc(CN2CCC(Oc3cncc(Cl)n3)CC2)cc1 ZINC000275155029 456271376 /nfs/dbraw/zinc/27/13/76/456271376.db2.gz VBJIBBYZJMJIPL-UHFFFAOYSA-N 0 3 346.862 3.239 20 10 EGCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000291028339 456502417 /nfs/dbraw/zinc/50/24/17/456502417.db2.gz BAPNTEGWLSTSFL-HXUWFJFHSA-N 0 3 329.415 3.349 20 10 EGCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000291028339 456502423 /nfs/dbraw/zinc/50/24/23/456502423.db2.gz BAPNTEGWLSTSFL-HXUWFJFHSA-N 0 3 329.415 3.349 20 10 EGCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)c1 ZINC000291195722 456562057 /nfs/dbraw/zinc/56/20/57/456562057.db2.gz HBFFZTAYYQCGQE-NRFANRHFSA-N 0 3 341.451 3.218 20 10 EGCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@](CO)(Cc3ccccc3)C2)c1 ZINC000291195722 456562058 /nfs/dbraw/zinc/56/20/58/456562058.db2.gz HBFFZTAYYQCGQE-NRFANRHFSA-N 0 3 341.451 3.218 20 10 EGCDHN CCCCN(Cc1ccccc1O)C(=O)NC1CCN(CC)CC1 ZINC000282700527 456596156 /nfs/dbraw/zinc/59/61/56/456596156.db2.gz FWOWUPSWJICYRZ-UHFFFAOYSA-N 0 3 333.476 3.188 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1[O-] ZINC000374994930 457748222 /nfs/dbraw/zinc/74/82/22/457748222.db2.gz BNZLLGAWNGTRNF-QWHCGFSZSA-N 0 3 340.261 3.322 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1[O-] ZINC000374994930 457748226 /nfs/dbraw/zinc/74/82/26/457748226.db2.gz BNZLLGAWNGTRNF-QWHCGFSZSA-N 0 3 340.261 3.322 20 10 EGCDHN CCOCc1cc(CN[C@]2(CO)CCc3ccccc32)ccc1OC ZINC000366561072 457851976 /nfs/dbraw/zinc/85/19/76/457851976.db2.gz YODUUEVHFROCSU-NRFANRHFSA-N 0 3 341.451 3.155 20 10 EGCDHN C[C@H]1OCC[C@@]12C[N@H+](Cc1c([O-])ccc3ccccc31)C[C@@H](C)O2 ZINC000369383696 458197753 /nfs/dbraw/zinc/19/77/53/458197753.db2.gz NAFKJPKAMBNHEI-STXHMFSFSA-N 0 3 327.424 3.314 20 10 EGCDHN C[C@H]1OCC[C@@]12C[N@@H+](Cc1c([O-])ccc3ccccc31)C[C@@H](C)O2 ZINC000369383696 458197760 /nfs/dbraw/zinc/19/77/60/458197760.db2.gz NAFKJPKAMBNHEI-STXHMFSFSA-N 0 3 327.424 3.314 20 10 EGCDHN Cc1c2ccccc2n(C)c1CNCc1cccc(S(C)(=O)=O)c1 ZINC000449295072 458422647 /nfs/dbraw/zinc/42/26/47/458422647.db2.gz PLXMOZGPRDPUHM-UHFFFAOYSA-N 0 3 342.464 3.180 20 10 EGCDHN COc1ccc(N2CCC(N[C@@H](C)c3ccncc3OC)CC2)cc1 ZINC000377010706 458439888 /nfs/dbraw/zinc/43/98/88/458439888.db2.gz VJXOYZUFLPWMGT-HNNXBMFYSA-N 0 3 341.455 3.418 20 10 EGCDHN CN(C)c1ccc(CN(C)CCc2cnccn2)c(C(F)(F)F)c1 ZINC000279785985 547368114 /nfs/dbraw/zinc/36/81/14/547368114.db2.gz BGJJRURYDXOFLB-UHFFFAOYSA-N 0 3 338.377 3.236 20 10 EGCDHN CCN(Cc1ccccc1)c1ccc(CN[C@@H]2CC(=O)N(C)C2)cc1 ZINC000726797732 574571979 /nfs/dbraw/zinc/57/19/79/574571979.db2.gz UHEAQRUKRSJLSS-LJQANCHMSA-N 0 3 337.467 3.033 20 10 EGCDHN CCN(Cc1ccccc1)c1ccc(CN[C@H]2CC(=O)N(C)C2)cc1 ZINC000726797731 574572038 /nfs/dbraw/zinc/57/20/38/574572038.db2.gz UHEAQRUKRSJLSS-IBGZPJMESA-N 0 3 337.467 3.033 20 10 EGCDHN CCN(CC)c1ccc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000731677917 575199167 /nfs/dbraw/zinc/19/91/67/575199167.db2.gz BWNQCAJGVHWCBJ-IBGZPJMESA-N 0 3 343.427 3.264 20 10 EGCDHN O=C(C[N@@H+](Cc1ccccc1[O-])C1CCCC1)NCc1ccccc1 ZINC000731847815 575212208 /nfs/dbraw/zinc/21/22/08/575212208.db2.gz PCJIUQZVYKKLKL-UHFFFAOYSA-N 0 3 338.451 3.453 20 10 EGCDHN O=C(C[N@H+](Cc1ccccc1[O-])C1CCCC1)NCc1ccccc1 ZINC000731847815 575212209 /nfs/dbraw/zinc/21/22/09/575212209.db2.gz PCJIUQZVYKKLKL-UHFFFAOYSA-N 0 3 338.451 3.453 20 10 EGCDHN O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc([O-])cs1 ZINC000732278702 575253838 /nfs/dbraw/zinc/25/38/38/575253838.db2.gz SJAWSROTZQNNBS-HNNXBMFYSA-N 0 3 330.453 3.096 20 10 EGCDHN O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc([O-])cs1 ZINC000732278702 575253840 /nfs/dbraw/zinc/25/38/40/575253840.db2.gz SJAWSROTZQNNBS-HNNXBMFYSA-N 0 3 330.453 3.096 20 10 EGCDHN COc1ccc(CN(C)c2ccc(OCCN(C)C)cc2)cc1F ZINC000732410976 575268098 /nfs/dbraw/zinc/26/80/98/575268098.db2.gz PDAZVUAWIYGXLB-UHFFFAOYSA-N 0 3 332.419 3.411 20 10 EGCDHN CCN(Cc1ccc(N2CCC(OC)CC2)cc1)C[C@@H]1CCCO1 ZINC000743272530 576804924 /nfs/dbraw/zinc/80/49/24/576804924.db2.gz XFZLCPJBGCSIPK-FQEVSTJZSA-N 0 3 332.488 3.303 20 10 EGCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]2CN2CCOCC2)cc1C(C)C ZINC000743376838 576807423 /nfs/dbraw/zinc/80/74/23/576807423.db2.gz VXXYWYYYCFBMCF-SFHVURJKSA-N 0 3 332.488 3.121 20 10 EGCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H]2CN2CCOCC2)cc1C(C)C ZINC000743376838 576807424 /nfs/dbraw/zinc/80/74/24/576807424.db2.gz VXXYWYYYCFBMCF-SFHVURJKSA-N 0 3 332.488 3.121 20 10 EGCDHN CC[C@H]([NH2+]C[C@@H](O)COc1cccc(C)c1)c1ccc(C)cc1[O-] ZINC000794803806 1309597929 /nfs/dbraw/zinc/59/79/29/1309597929.db2.gz SDVOSNYMBSZOPD-APWZRJJASA-N 0 3 329.440 3.490 20 10 EGCDHN CC[C@H]([NH2+][C@H]1CCCC[C@H]1N1CCOCC1)c1ccc(C)cc1[O-] ZINC000794809255 1309598954 /nfs/dbraw/zinc/59/89/54/1309598954.db2.gz FFGTYQDYYOSBIZ-GBESFXJTSA-N 0 3 332.488 3.385 20 10 EGCDHN NC[C@@H]([NH2+]Cc1cc(Br)ccc1[O-])C1CCCCC1 ZINC000841039155 1321206884 /nfs/dbraw/zinc/20/68/84/1321206884.db2.gz CODFWLYQAFCYSP-CQSZACIVSA-N 0 3 327.266 3.152 20 10 EGCDHN COc1cccc(CN2CCN(Cc3ccccc3)C[C@H]2C)c1O ZINC000093325048 1292916288 /nfs/dbraw/zinc/91/62/88/1292916288.db2.gz NDGSSPDTJWPGAW-MRXNPFEDSA-N 0 3 326.440 3.107 20 10 EGCDHN CC(C)[C@H](C(=O)NCc1ccc(N2CCC(C)CC2)cc1)N(C)C ZINC000108453910 1293081363 /nfs/dbraw/zinc/08/13/63/1293081363.db2.gz BUUJYWAGOMRRHB-LJQANCHMSA-N 0 3 331.504 3.125 20 10 EGCDHN COC1CCN(C2(C[NH2+][C@H]3CCc4cccc([O-])c43)CCCC2)CC1 ZINC000834576578 1293118539 /nfs/dbraw/zinc/11/85/39/1293118539.db2.gz ZKXFSUFZIMHKRN-SFHVURJKSA-N 0 3 344.499 3.393 20 10 EGCDHN CCN1C[C@@H](N[C@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1=O ZINC000834891919 1293165256 /nfs/dbraw/zinc/16/52/56/1293165256.db2.gz TUCSTMQDIJRMES-ZBFHGGJFSA-N 0 3 333.451 3.087 20 10 EGCDHN Cc1cncc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000181844635 1294997460 /nfs/dbraw/zinc/99/74/60/1294997460.db2.gz OZLANFGLOQDGOO-OAHLLOKOSA-N 0 3 329.419 3.217 20 10 EGCDHN C[C@@H]([NH2+]Cc1ccccc1N1CCOCC1)c1cc(F)ccc1[O-] ZINC000185188669 1295246993 /nfs/dbraw/zinc/24/69/93/1295246993.db2.gz ULABYNAALTULNC-CQSZACIVSA-N 0 3 330.403 3.219 20 10 EGCDHN COc1cc(OC)c(CC[NH2+][C@H](C)c2cc(F)ccc2[O-])c(OC)c1 ZINC000185401470 1295260528 /nfs/dbraw/zinc/26/05/28/1295260528.db2.gz SIXPRKORFNNHCP-GFCCVEGCSA-N 0 3 349.402 3.450 20 10 EGCDHN C[C@@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CC1)c1cc(F)ccc1[O-] ZINC000185534082 1295269215 /nfs/dbraw/zinc/26/92/15/1295269215.db2.gz OZASRWAHEYELSM-ABAIWWIYSA-N 0 3 338.423 3.485 20 10 EGCDHN C[C@@H](Nc1ccc(N2CCN(C)CC2)cc1)c1cc(F)ccc1O ZINC000186401624 1295323419 /nfs/dbraw/zinc/32/34/19/1295323419.db2.gz LRVKMJSHLGUXCB-CQSZACIVSA-N 0 3 329.419 3.456 20 10 EGCDHN COc1ccc(O)c(CNCc2cnn(Cc3ccc(F)cc3)c2)c1 ZINC000189204431 1295506942 /nfs/dbraw/zinc/50/69/42/1295506942.db2.gz LZNNRQMJWARTLH-UHFFFAOYSA-N 0 3 341.386 3.075 20 10 EGCDHN CN(C)c1ccc(CNC(=O)CN[C@@H](c2ccccc2)C2CC2)cc1 ZINC000192508880 1295772487 /nfs/dbraw/zinc/77/24/87/1295772487.db2.gz BXEZLZRMKDXLJQ-NRFANRHFSA-N 0 3 337.467 3.110 20 10 EGCDHN [O-]c1ccc(Br)cc1CN1CCC([NH2+]CC2CC2)CC1 ZINC000220253136 1296125282 /nfs/dbraw/zinc/12/52/82/1296125282.db2.gz QZMWQFDWKSZKOC-UHFFFAOYSA-N 0 3 339.277 3.119 20 10 EGCDHN COc1ccc(OC)c([C@H](O)[C@H](C)[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000872136098 1296761314 /nfs/dbraw/zinc/76/13/14/1296761314.db2.gz JLPLLEXNNSZXNJ-QHRIQVFBSA-N 0 3 331.412 3.182 20 10 EGCDHN COc1ccc(N2CCN(CCCc3cccc(OC)c3)CC2)cc1 ZINC000303961007 1296883884 /nfs/dbraw/zinc/88/38/84/1296883884.db2.gz ZNANOTCSTFZDCB-UHFFFAOYSA-N 0 3 340.467 3.459 20 10 EGCDHN CC[C@H](C)[C@](C)(O)C[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000304060884 1296897649 /nfs/dbraw/zinc/89/76/49/1296897649.db2.gz OWSGYODIUBEVRS-ZUZCIYMTSA-N 0 3 346.265 3.050 20 10 EGCDHN CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000310563726 1297098208 /nfs/dbraw/zinc/09/82/08/1297098208.db2.gz KUUTXMUGUJJARP-LSDHHAIUSA-N 0 3 332.444 3.369 20 10 EGCDHN CCOc1ccc(C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)c([O-])c1 ZINC000873179264 1297329671 /nfs/dbraw/zinc/32/96/71/1297329671.db2.gz GBLBZHZXZBEFGV-INIZCTEOSA-N 0 3 335.831 3.138 20 10 EGCDHN Cc1ccc(O)c(CNC(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)c1 ZINC000875572541 1298393203 /nfs/dbraw/zinc/39/32/03/1298393203.db2.gz FJZCANPSWNTBEY-HNAYVOBHSA-N 0 3 341.455 3.191 20 10 EGCDHN CC(C)OCCN1CCC([NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000747622291 1298811838 /nfs/dbraw/zinc/81/18/38/1298811838.db2.gz UZLAYHKKCGXVAW-UHFFFAOYSA-N 0 3 326.868 3.025 20 10 EGCDHN Cc1cccc([O-])c1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000876550751 1298820821 /nfs/dbraw/zinc/82/08/21/1298820821.db2.gz DDOQVYPKEBPOJE-UHFFFAOYSA-N 0 3 326.440 3.169 20 10 EGCDHN Cc1cccc([O-])c1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000876550751 1298820829 /nfs/dbraw/zinc/82/08/29/1298820829.db2.gz DDOQVYPKEBPOJE-UHFFFAOYSA-N 0 3 326.440 3.169 20 10 EGCDHN Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(C)cc3[O-])C2)nc1 ZINC000876596003 1298855056 /nfs/dbraw/zinc/85/50/56/1298855056.db2.gz IKLYJJNCPUDCLR-KRWDZBQOSA-N 0 3 339.439 3.255 20 10 EGCDHN Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(C)cc3[O-])C2)nc1 ZINC000876596003 1298855067 /nfs/dbraw/zinc/85/50/67/1298855067.db2.gz IKLYJJNCPUDCLR-KRWDZBQOSA-N 0 3 339.439 3.255 20 10 EGCDHN Cc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)c([O-])c1 ZINC000876662852 1298905656 /nfs/dbraw/zinc/90/56/56/1298905656.db2.gz PAGJEBLTKMNEEA-KRWDZBQOSA-N 0 3 338.451 3.343 20 10 EGCDHN Cc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)c([O-])c1 ZINC000876662852 1298905665 /nfs/dbraw/zinc/90/56/65/1298905665.db2.gz PAGJEBLTKMNEEA-KRWDZBQOSA-N 0 3 338.451 3.343 20 10 EGCDHN Cc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000876995386 1299107206 /nfs/dbraw/zinc/10/72/06/1299107206.db2.gz UBGKUXYMTKLYET-OAHLLOKOSA-N 0 3 334.460 3.437 20 10 EGCDHN C[C@@H]([NH2+]Cc1ccccc1N1CCO[C@H](C)C1)c1ccccc1[O-] ZINC000877755691 1299530420 /nfs/dbraw/zinc/53/04/20/1299530420.db2.gz LRIJCBPPZCTIMZ-HZPDHXFCSA-N 0 3 326.440 3.468 20 10 EGCDHN CCOC(=O)C(F)(F)[C@H]1CC[C@H]([NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000877755678 1299530707 /nfs/dbraw/zinc/53/07/07/1299530707.db2.gz LKOLATDDFMOZKS-AGIUHOORSA-N 0 3 327.371 3.410 20 10 EGCDHN COC(=O)[C@H](C)Oc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000877756262 1299533228 /nfs/dbraw/zinc/53/32/28/1299533228.db2.gz CTOKWNFTRXMGLW-KGLIPLIRSA-N 0 3 329.396 3.183 20 10 EGCDHN COCCCN(Cc1ccncc1)Cc1cc(C)cc(OC)c1O ZINC000754727455 1300202234 /nfs/dbraw/zinc/20/22/34/1300202234.db2.gz WVBINFMDYZUYLG-UHFFFAOYSA-N 0 3 330.428 3.143 20 10 EGCDHN Cc1cc(C)c(O)c(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000754727003 1300202595 /nfs/dbraw/zinc/20/25/95/1300202595.db2.gz DLTFCLYICIXMPV-UHFFFAOYSA-N 0 3 341.411 3.239 20 10 EGCDHN COCCOc1ccc(C[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)cn1 ZINC000756430998 1300488884 /nfs/dbraw/zinc/48/88/84/1300488884.db2.gz AOSAFZWBINTCQM-SWLSCSKDSA-N 0 3 346.402 3.290 20 10 EGCDHN COc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)cc2[O-])ccc1OCCO ZINC000756455212 1300495883 /nfs/dbraw/zinc/49/58/83/1300495883.db2.gz BOBXIQZDAOXHNN-CABCVRRESA-N 0 3 345.439 3.492 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+]CC2(C(=O)N(C)C)CCCC2)c2c1c(F)ccc2[O-] ZINC000756575905 1300525707 /nfs/dbraw/zinc/52/57/07/1300525707.db2.gz RDJCGJFWIYZUQV-TZMCWYRMSA-N 0 3 334.435 3.318 20 10 EGCDHN C[C@@H]([NH2+]CCCN(C(=O)C1CCC1)C1CC1)c1cc(F)ccc1[O-] ZINC000756708167 1300549751 /nfs/dbraw/zinc/54/97/51/1300549751.db2.gz NVCVOBXUXLVPIG-CYBMUJFWSA-N 0 3 334.435 3.363 20 10 EGCDHN Cc1ccccc1CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648769 1300650390 /nfs/dbraw/zinc/65/03/90/1300650390.db2.gz CWTCMCLUUUQHKQ-CVEARBPZSA-N 0 3 326.440 3.099 20 10 EGCDHN Cc1ccc(C(C)(C)NCc2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000759185125 1301034938 /nfs/dbraw/zinc/03/49/38/1301034938.db2.gz DEPKQKPBCSSEFM-UHFFFAOYSA-N 0 3 343.446 3.391 20 10 EGCDHN COc1ccc(N2CCN(CCN[C@H](C)c3ccc(C)o3)CC2)cc1 ZINC000765399996 1302260935 /nfs/dbraw/zinc/26/09/35/1302260935.db2.gz CGTFCDPEXAAEAK-QGZVFWFLSA-N 0 3 343.471 3.069 20 10 EGCDHN COc1cc(C)cc(CN2CCC([C@](C)(O)C(F)(F)F)CC2)c1O ZINC000767511412 1302698050 /nfs/dbraw/zinc/69/80/50/1302698050.db2.gz FBKJLHDHYPYKCM-INIZCTEOSA-N 0 3 347.377 3.235 20 10 EGCDHN CCOc1ccc(CN2CCN(c3cccc(OC)c3)CC2)c(O)c1 ZINC000768173029 1302845314 /nfs/dbraw/zinc/84/53/14/1302845314.db2.gz SXADJNQPTSILBP-UHFFFAOYSA-N 0 3 342.439 3.122 20 10 EGCDHN CCOc1ccc(C[N@H+](C)C[C@@H]2COc3ccccc3O2)c([O-])c1 ZINC000768180695 1302846474 /nfs/dbraw/zinc/84/64/74/1302846474.db2.gz OACZFBHGWNTLIC-MRXNPFEDSA-N 0 3 329.396 3.063 20 10 EGCDHN CCOc1ccc(C[N@@H+](C)C[C@@H]2COc3ccccc3O2)c([O-])c1 ZINC000768180695 1302846484 /nfs/dbraw/zinc/84/64/84/1302846484.db2.gz OACZFBHGWNTLIC-MRXNPFEDSA-N 0 3 329.396 3.063 20 10 EGCDHN CC1(C)CN(Cc2cc3c(cc2O)OC[C@@H]3O)[C@@H]1c1ccccc1 ZINC000768440904 1302903732 /nfs/dbraw/zinc/90/37/32/1302903732.db2.gz APRGJHKWUJQXPB-PKOBYXMFSA-N 0 3 325.408 3.401 20 10 EGCDHN COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc3c(cc2[O-])OC[C@H]3O)cc1 ZINC000768442007 1302904019 /nfs/dbraw/zinc/90/40/19/1302904019.db2.gz NFADTPHSOIZIFT-PKOBYXMFSA-N 0 3 341.407 3.164 20 10 EGCDHN COc1ccc([C@@H]2CCC[N@H+]2Cc2cc3c(cc2[O-])OC[C@H]3O)cc1 ZINC000768442007 1302904024 /nfs/dbraw/zinc/90/40/24/1302904024.db2.gz NFADTPHSOIZIFT-PKOBYXMFSA-N 0 3 341.407 3.164 20 10 EGCDHN Cc1cccc([C@H]2CCC[N@@H+]2Cc2cc3c(cc2[O-])OC[C@@H]3O)c1 ZINC000768444324 1302905650 /nfs/dbraw/zinc/90/56/50/1302905650.db2.gz XMOZKLBWMNRMLJ-MJGOQNOKSA-N 0 3 325.408 3.464 20 10 EGCDHN Cc1cccc([C@H]2CCC[N@H+]2Cc2cc3c(cc2[O-])OC[C@@H]3O)c1 ZINC000768444324 1302905659 /nfs/dbraw/zinc/90/56/59/1302905659.db2.gz XMOZKLBWMNRMLJ-MJGOQNOKSA-N 0 3 325.408 3.464 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+](C1CC1)[C@H]1CCc3ccccc31)[C@H](O)CO2 ZINC000768444976 1302906252 /nfs/dbraw/zinc/90/62/52/1302906252.db2.gz ZVXPNTPMUDXGIP-AZUAARDMSA-N 0 3 337.419 3.470 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+](C1CC1)[C@H]1CCc3ccccc31)[C@H](O)CO2 ZINC000768444976 1302906265 /nfs/dbraw/zinc/90/62/65/1302906265.db2.gz ZVXPNTPMUDXGIP-AZUAARDMSA-N 0 3 337.419 3.470 20 10 EGCDHN CC[C@@H](c1ccncc1)[N@H+](CC)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768446226 1302907777 /nfs/dbraw/zinc/90/77/77/1302907777.db2.gz LDUKLTYZYDYXQT-WMZOPIPTSA-N 0 3 328.412 3.186 20 10 EGCDHN CC[C@@H](c1ccncc1)[N@@H+](CC)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768446226 1302907786 /nfs/dbraw/zinc/90/77/86/1302907786.db2.gz LDUKLTYZYDYXQT-WMZOPIPTSA-N 0 3 328.412 3.186 20 10 EGCDHN Oc1cc2c(cc1CNC1(c3ccc(F)cc3F)CCC1)[C@H](O)CO2 ZINC000768464880 1302914248 /nfs/dbraw/zinc/91/42/48/1302914248.db2.gz FSXRBRYJDYZGLZ-QGZVFWFLSA-N 0 3 347.361 3.265 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC3(C[C@@H]3C(=O)OC)CC2)cc1F ZINC000769426135 1303110904 /nfs/dbraw/zinc/11/09/04/1303110904.db2.gz CFXVPVLLYNLYCN-MRXNPFEDSA-N 0 3 348.462 3.447 20 10 EGCDHN C[C@H](Cn1cccn1)N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000772949469 1303597900 /nfs/dbraw/zinc/59/79/00/1303597900.db2.gz BLZPKEUWMHXHQJ-CABCVRRESA-N 0 3 348.878 3.112 20 10 EGCDHN CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1Cc1ccc(N(C)CC)cc1 ZINC000773754758 1303735489 /nfs/dbraw/zinc/73/54/89/1303735489.db2.gz NMOSBRNGYOQPIL-RTBURBONSA-N 0 3 331.504 3.364 20 10 EGCDHN Cc1nc(NCc2ccccc2O)cc(NCc2ccccc2O)n1 ZINC000774524416 1303821068 /nfs/dbraw/zinc/82/10/68/1303821068.db2.gz SNCQZSMEFHTKRI-UHFFFAOYSA-N 0 3 336.395 3.420 20 10 EGCDHN Cc1ccc(CNC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775832354 1304045517 /nfs/dbraw/zinc/04/55/17/1304045517.db2.gz ZLSKODCXRKWBRE-MRXNPFEDSA-N 0 3 325.456 3.028 20 10 EGCDHN Cc1ccc(NC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)c(F)c1 ZINC000775830760 1304045595 /nfs/dbraw/zinc/04/55/95/1304045595.db2.gz NGYJSCTZEAVIMK-CQSZACIVSA-N 0 3 329.419 3.489 20 10 EGCDHN C[C@H](NCC(=O)NCCC1=CCCCC1)c1ccc(N(C)C)cc1 ZINC000775830462 1304045925 /nfs/dbraw/zinc/04/59/25/1304045925.db2.gz JOJJMZOTIKFJLJ-INIZCTEOSA-N 0 3 329.488 3.410 20 10 EGCDHN C[C@H](NCC(=O)N(C)[C@@H]1CCCC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000775835539 1304047778 /nfs/dbraw/zinc/04/77/78/1304047778.db2.gz UIRMOGBGKDITQA-JTDSTZFVSA-N 0 3 331.504 3.440 20 10 EGCDHN Fc1cc(CN2CCOCC3(CCCC3)C2)ccc1N1CCOCC1 ZINC000776007222 1304077927 /nfs/dbraw/zinc/07/79/27/1304077927.db2.gz ARFAGZABENFEPD-UHFFFAOYSA-N 0 3 348.462 3.055 20 10 EGCDHN CCOc1ccc(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c([O-])c1 ZINC000777438675 1304296106 /nfs/dbraw/zinc/29/61/06/1304296106.db2.gz AVJKPJRBNLJBMD-IBGZPJMESA-N 0 3 331.387 3.024 20 10 EGCDHN CCOc1ccc(C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c([O-])c1 ZINC000777438675 1304296107 /nfs/dbraw/zinc/29/61/07/1304296107.db2.gz AVJKPJRBNLJBMD-IBGZPJMESA-N 0 3 331.387 3.024 20 10 EGCDHN CN(C)c1ccc(CN2CC[C@@](O)(c3ccc(F)cc3)C2)cc1F ZINC000777439871 1304297060 /nfs/dbraw/zinc/29/70/60/1304297060.db2.gz PTHZGNPRDQBNKD-IBGZPJMESA-N 0 3 332.394 3.124 20 10 EGCDHN C[C@@H](NC(=O)c1cc([O-])cs1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000779326596 1304557215 /nfs/dbraw/zinc/55/72/15/1304557215.db2.gz WXPUNEBVIJNXGM-HIFRSBDPSA-N 0 3 330.453 3.094 20 10 EGCDHN C[C@@H](NC(=O)c1cc([O-])cs1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000779326596 1304557220 /nfs/dbraw/zinc/55/72/20/1304557220.db2.gz WXPUNEBVIJNXGM-HIFRSBDPSA-N 0 3 330.453 3.094 20 10 EGCDHN Cc1sccc1CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248751 1305000382 /nfs/dbraw/zinc/00/03/82/1305000382.db2.gz NRNAOPASLJBMBN-SFHVURJKSA-N 0 3 345.512 3.084 20 10 EGCDHN Cc1ccc([C@H](C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC000891250489 1305000820 /nfs/dbraw/zinc/00/08/20/1305000820.db2.gz AHEACNULCDCKLE-MAUKXSAKSA-N 0 3 343.471 3.177 20 10 EGCDHN Cc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC000891257870 1305001317 /nfs/dbraw/zinc/00/13/17/1305001317.db2.gz LEDBMKLLVHGLAI-MRXNPFEDSA-N 0 3 331.485 3.155 20 10 EGCDHN Cc1ccc([C@@H](C)NCc2ccc(S(C)(=O)=O)s2)c(O)c1C ZINC000786960404 1305667227 /nfs/dbraw/zinc/66/72/27/1305667227.db2.gz ICNAIYVKKXQFKH-GFCCVEGCSA-N 0 3 339.482 3.325 20 10 EGCDHN COc1ccc(CNCc2ccc(OC(C)(C)C)nc2)c(O)c1OC ZINC000893412582 1305883166 /nfs/dbraw/zinc/88/31/66/1305883166.db2.gz NLQNWUVOLBKKPG-UHFFFAOYSA-N 0 3 346.427 3.272 20 10 EGCDHN COc1cc([C@H](C)NCc2ccc(N3CCSCC3)cc2)ccn1 ZINC000788542291 1305967527 /nfs/dbraw/zinc/96/75/27/1305967527.db2.gz LXXNLWWURWFUGZ-HNNXBMFYSA-N 0 3 343.496 3.494 20 10 EGCDHN COC(=O)CC[C@@H](NCc1cc(C)cc(OC)c1O)c1ccccc1 ZINC000894230635 1306291339 /nfs/dbraw/zinc/29/13/39/1306291339.db2.gz SNFXAPWWCZCLPA-QGZVFWFLSA-N 0 3 343.423 3.493 20 10 EGCDHN COc1ccc(C[NH2+][C@@H]2C[C@@H](C)CN(Cc3ccccc3)C2)c([O-])c1 ZINC000793389136 1309361554 /nfs/dbraw/zinc/36/15/54/1309361554.db2.gz WZQXVJUPXYSJCD-VQIMIIECSA-N 0 3 340.467 3.401 20 10 EGCDHN Cc1ccc([C@H]2CC[N@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)c(C)c1 ZINC000794660586 1309567330 /nfs/dbraw/zinc/56/73/30/1309567330.db2.gz GQFGKCKVLAGGLJ-YWZLYKJASA-N 0 3 339.435 3.424 20 10 EGCDHN Cc1ccc([C@H]2CC[N@@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)c(C)c1 ZINC000794660586 1309567336 /nfs/dbraw/zinc/56/73/36/1309567336.db2.gz GQFGKCKVLAGGLJ-YWZLYKJASA-N 0 3 339.435 3.424 20 10 EGCDHN CC[C@@H]([NH2+]CCNC(=O)c1cccc(C)c1)c1ccc(C)cc1[O-] ZINC000794798857 1309597473 /nfs/dbraw/zinc/59/74/73/1309597473.db2.gz YYWOUXKRQSPYMA-GOSISDBHSA-N 0 3 326.440 3.480 20 10 EGCDHN C[C@@H]1CN(Cc2cc3c(cc2O)CCCC3)C[C@@]2(CCCOC2)O1 ZINC000794886836 1309614904 /nfs/dbraw/zinc/61/49/04/1309614904.db2.gz BERWRIZZIKDFRM-FOIQADDNSA-N 0 3 331.456 3.041 20 10 EGCDHN CCOC(=O)c1[nH]c(C)c(CNCc2ccc(N(C)C)cc2)c1C ZINC000858088752 1328679010 /nfs/dbraw/zinc/67/90/10/1328679010.db2.gz QNTDNLQZMKYMPG-UHFFFAOYSA-N 0 3 329.444 3.164 20 10 EGCDHN Cc1nccn1C[C@@H](C)C[NH2+]Cc1c([O-])cccc1Br ZINC000858125657 1328689291 /nfs/dbraw/zinc/68/92/91/1328689291.db2.gz JQTJEWLQGIWXCP-NSHDSACASA-N 0 3 338.249 3.086 20 10 EGCDHN Cc1ccc([C@@H](CNC(=O)NCc2cc(C)ccc2O)N(C)C)cc1 ZINC000858190284 1328707308 /nfs/dbraw/zinc/70/73/08/1328707308.db2.gz GSYNPMDYRAPPBG-GOSISDBHSA-N 0 3 341.455 3.111 20 10 EGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H]2CN(CC(C)C)CCO2)c1[O-] ZINC000808672391 1317712376 /nfs/dbraw/zinc/71/23/76/1317712376.db2.gz MACUOZHEHOFIDO-ZBFHGGJFSA-N 0 3 340.895 3.361 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCCOC[C@H]2CCOC2)c1[O-] ZINC000808697305 1317717298 /nfs/dbraw/zinc/71/72/98/1317717298.db2.gz BYMSCLNLJDTVAP-UONOGXRCSA-N 0 3 327.852 3.448 20 10 EGCDHN CC(C)(C(=O)NCc1ccc(N2CCCC2)cc1)N1CCCCC1 ZINC000906112460 1318040468 /nfs/dbraw/zinc/04/04/68/1318040468.db2.gz NLWNTKCKECVALS-UHFFFAOYSA-N 0 3 329.488 3.168 20 10 EGCDHN COc1cc(Br)cc(C[NH2+]CC2CC(F)(F)C2)c1[O-] ZINC000813782036 1318630246 /nfs/dbraw/zinc/63/02/46/1318630246.db2.gz VVNXRFIOCGIMSH-UHFFFAOYSA-N 0 3 336.176 3.298 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)c2c1c(F)ccc2[O-] ZINC000858537686 1328790489 /nfs/dbraw/zinc/79/04/89/1328790489.db2.gz POVBJGJUUJLTPO-CXSNFVKGSA-N 0 3 344.386 3.300 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+](C)C[C@H](O)Cc2ccccc2)c1[O-] ZINC000816625065 1319196473 /nfs/dbraw/zinc/19/64/73/1319196473.db2.gz PXZTYAPFYUCUTC-MRXNPFEDSA-N 0 3 335.831 3.090 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+](C)C[C@H](O)Cc2ccccc2)c1[O-] ZINC000816625065 1319196477 /nfs/dbraw/zinc/19/64/77/1319196477.db2.gz PXZTYAPFYUCUTC-MRXNPFEDSA-N 0 3 335.831 3.090 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+]C[C@]2(O)CCC[C@@H]2C)c1[O-] ZINC000816661346 1319202619 /nfs/dbraw/zinc/20/26/19/1319202619.db2.gz KQLHDJOGWPFDCW-XHDPSFHLSA-N 0 3 328.250 3.104 20 10 EGCDHN C[C@@H]([NH2+][C@H]1CCN[C@H](C)C1)c1cc(Br)cc(F)c1[O-] ZINC000817970843 1319480841 /nfs/dbraw/zinc/48/08/41/1319480841.db2.gz FZRBBJGATWOOQZ-KKZNHRDASA-N 0 3 331.229 3.085 20 10 EGCDHN Cc1cc(CCN[C@@H](C(N)=O)c2ccccc2)c(C)n1-c1ccccc1 ZINC000821971442 1320044556 /nfs/dbraw/zinc/04/45/56/1320044556.db2.gz UYZOFHWYXBNITN-OAQYLSRUSA-N 0 3 347.462 3.453 20 10 EGCDHN Cc1cc([O-])c(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1Cl ZINC000824938187 1320297468 /nfs/dbraw/zinc/29/74/68/1320297468.db2.gz GSERLZCQAJWPSY-UWWQBHOKSA-N 0 3 338.879 3.038 20 10 EGCDHN C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccc(Br)cc2[O-])C1 ZINC000825935599 1320372538 /nfs/dbraw/zinc/37/25/38/1320372538.db2.gz YLLGZRMJPNCKGK-SWLSCSKDSA-N 0 3 339.277 3.071 20 10 EGCDHN C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccc(Br)cc2[O-])C1 ZINC000825935599 1320372542 /nfs/dbraw/zinc/37/25/42/1320372542.db2.gz YLLGZRMJPNCKGK-SWLSCSKDSA-N 0 3 339.277 3.071 20 10 EGCDHN COc1cccc(CN2CCC(Oc3ccc(Cl)cn3)CC2)c1O ZINC000839191772 1320891660 /nfs/dbraw/zinc/89/16/60/1320891660.db2.gz FQFFZWARDKAZIP-UHFFFAOYSA-N 0 3 348.830 3.493 20 10 EGCDHN COc1ccc(N2CCC(N[C@H](C)c3cc4n(n3)CCC4)CC2)cc1 ZINC000840721130 1321134235 /nfs/dbraw/zinc/13/42/35/1321134235.db2.gz SLMRJUPVFLEMDL-OAHLLOKOSA-N 0 3 340.471 3.158 20 10 EGCDHN Cc1cc(N(C)C)ccc1CN1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000840948053 1321183611 /nfs/dbraw/zinc/18/36/11/1321183611.db2.gz KPTHULNVSUMSDY-GDBMZVCRSA-N 0 3 330.394 3.054 20 10 EGCDHN Cc1cc(N(C)C)ccc1CN[C@@H](c1cccnc1)C(C)(C)CO ZINC000840948735 1321184069 /nfs/dbraw/zinc/18/40/69/1321184069.db2.gz IFUWKZTUYZVGDH-IBGZPJMESA-N 0 3 327.472 3.305 20 10 EGCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H](c1ccccc1)C1(CO)CCOCC1 ZINC000840972049 1321191828 /nfs/dbraw/zinc/19/18/28/1321191828.db2.gz GEZCAEMBWJCPLH-IBGZPJMESA-N 0 3 345.414 3.151 20 10 EGCDHN Cc1cc(Br)c([O-])c(C[NH2+][C@H]2CCNC3(CCC3)C2)c1 ZINC000841089411 1321216638 /nfs/dbraw/zinc/21/66/38/1321216638.db2.gz MSZDZGHPQDSKJN-ZDUSSCGKSA-N 0 3 339.277 3.227 20 10 EGCDHN CC1(C)C[C@H]([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CO1 ZINC000841863249 1321324564 /nfs/dbraw/zinc/32/45/64/1321324564.db2.gz KGGFCTXWGBBYLR-CVEARBPZSA-N 0 3 338.879 3.167 20 10 EGCDHN CC(=O)c1cc(F)cc(CN2CC[NH2+]C[C@@H]2c2cccc(F)c2)c1[O-] ZINC000843378564 1321509006 /nfs/dbraw/zinc/50/90/06/1321509006.db2.gz FWTULIVHLPJUPX-GOSISDBHSA-N 0 3 346.377 3.020 20 10 EGCDHN COc1cccc([C@H](C)N[C@@H](CC(=O)N(C)C)c2ccccc2)c1O ZINC000846144196 1321771522 /nfs/dbraw/zinc/77/15/22/1321771522.db2.gz LIFHBYHGNYYRKB-YOEHRIQHSA-N 0 3 342.439 3.271 20 10 EGCDHN O=C1CCCN1c1cccc(CNCc2ccc3c(c2)CCCO3)c1 ZINC000921530395 1322341495 /nfs/dbraw/zinc/34/14/95/1322341495.db2.gz FXMPJHLTFDGYMW-UHFFFAOYSA-N 0 3 336.435 3.428 20 10 EGCDHN Cc1cc(CN2CC[C@H](N3CCOC3=O)C2)ccc1N1CCCCC1 ZINC000852442238 1323192952 /nfs/dbraw/zinc/19/29/52/1323192952.db2.gz JZMHZNSKEHHMSN-SFHVURJKSA-N 0 3 343.471 3.012 20 10 EGCDHN C[C@@H](N[C@@H]1C[C@H]1C(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000866499742 1330118818 /nfs/dbraw/zinc/11/88/18/1330118818.db2.gz NALLTQOKUOJSKH-MPKXVKKWSA-N 0 3 332.341 3.264 20 10 EGCDHN CC(C)=CCN1CCC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001028340212 1340577848 /nfs/dbraw/zinc/57/78/48/1340577848.db2.gz LPBWZHNXNSHNCS-INIZCTEOSA-N 0 3 343.431 3.009 20 10 EGCDHN C[C@H]1CN(Cc2ccc(N3CCN(C)CC3)c(F)c2)CCC1(F)F ZINC001324207667 1387557711 /nfs/dbraw/zinc/55/77/11/1387557711.db2.gz ICFGOALFEDKZRR-AWEZNQCLSA-N 0 3 341.421 3.055 20 10 EGCDHN CCOc1cccc(N2CCN(Cc3cccc(OC)c3O)CC2)c1 ZINC001203596855 1370182720 /nfs/dbraw/zinc/18/27/20/1370182720.db2.gz PBUYLPVATFRQKJ-UHFFFAOYSA-N 0 3 342.439 3.122 20 10 EGCDHN COc1cccc(CN2CCN(c3c(C)cccc3C)CC2)c1O ZINC001203601923 1370184045 /nfs/dbraw/zinc/18/40/45/1370184045.db2.gz RERAFLSQOMPLLD-UHFFFAOYSA-N 0 3 326.440 3.340 20 10 EGCDHN COc1ccc(O)c(CN2CCN(C3(c4ccccc4)CC3)CC2)c1 ZINC001203680686 1370216161 /nfs/dbraw/zinc/21/61/61/1370216161.db2.gz BSDWFYUERQJIJB-UHFFFAOYSA-N 0 3 338.451 3.208 20 10 EGCDHN COC(=O)c1ccc(C2CC[NH+](Cc3ccc(O)cc3[O-])CC2)cc1 ZINC001204278328 1370430332 /nfs/dbraw/zinc/43/03/32/1370430332.db2.gz DMWRFLNBYORMFF-UHFFFAOYSA-N 0 3 341.407 3.264 20 10 EGCDHN COC[C@@H](C)[N@H+](Cc1cccc(OC)c1)Cc1ccc(O)cc1[O-] ZINC001204281529 1370430999 /nfs/dbraw/zinc/43/09/99/1370430999.db2.gz UPPIPIACMSMMFV-CQSZACIVSA-N 0 3 331.412 3.144 20 10 EGCDHN COC[C@@H](C)[N@@H+](Cc1cccc(OC)c1)Cc1ccc(O)cc1[O-] ZINC001204281529 1370431001 /nfs/dbraw/zinc/43/10/01/1370431001.db2.gz UPPIPIACMSMMFV-CQSZACIVSA-N 0 3 331.412 3.144 20 10 EGCDHN CCOC(=O)CCC[N@H+](Cc1ccccc1)Cc1ccc(O)cc1[O-] ZINC001204282300 1370431463 /nfs/dbraw/zinc/43/14/63/1370431463.db2.gz PFMZSBLCKWJBEV-UHFFFAOYSA-N 0 3 343.423 3.443 20 10 EGCDHN CCOC(=O)CCC[N@@H+](Cc1ccccc1)Cc1ccc(O)cc1[O-] ZINC001204282300 1370431466 /nfs/dbraw/zinc/43/14/66/1370431466.db2.gz PFMZSBLCKWJBEV-UHFFFAOYSA-N 0 3 343.423 3.443 20 10 EGCDHN COc1cccc([O-])c1C[NH2+]CCN1c2ccccc2CC[C@@H]1C ZINC001116475700 1370920871 /nfs/dbraw/zinc/92/08/71/1370920871.db2.gz CQMIVUPMWMPNDP-HNNXBMFYSA-N 0 3 326.440 3.332 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](CO)CC2CCOCC2)c1[O-] ZINC001117502871 1371049077 /nfs/dbraw/zinc/04/90/77/1371049077.db2.gz CIWQVEAXSAOEAB-DZGCQCFKSA-N 0 3 341.879 3.430 20 10 EGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](CO)CC2CCOCC2)c1[O-] ZINC001117503072 1371049103 /nfs/dbraw/zinc/04/91/03/1371049103.db2.gz CIWQVEAXSAOEAB-HIFRSBDPSA-N 0 3 341.879 3.430 20 10 EGCDHN COCCCCN1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001209224014 1372042248 /nfs/dbraw/zinc/04/22/48/1372042248.db2.gz QZXRVJNKDLEFJJ-UHFFFAOYSA-N 0 3 332.366 3.134 20 10 EGCDHN C[C@H]1CC[NH2+]CC[C@H]1Oc1c(O)c([O-])ccc1C(=O)c1ccccc1 ZINC001218025254 1373541019 /nfs/dbraw/zinc/54/10/19/1373541019.db2.gz RXUKHQQZKOQFKQ-SUMWQHHRSA-N 0 3 341.407 3.096 20 10 EGCDHN CC[NH+](CC)C[C@H](C)Oc1c(O)c([O-])ccc1C(=O)c1ccccc1 ZINC001227937265 1375493147 /nfs/dbraw/zinc/49/31/47/1375493147.db2.gz HBVGUMLZPRFZPT-AWEZNQCLSA-N 0 3 343.423 3.438 20 10 EGCDHN CC(C)(C)c1ccc(O)c(CN2CCN(c3cccnc3)CC2)c1 ZINC001233284292 1376602638 /nfs/dbraw/zinc/60/26/38/1376602638.db2.gz PBQCVIIHNVATMB-UHFFFAOYSA-N 0 3 325.456 3.407 20 10 EGCDHN COc1ccc([C@H]2CCCN2Cc2cc(O)c(O)cc2O)cc1OC ZINC001233485419 1376652299 /nfs/dbraw/zinc/65/22/99/1376652299.db2.gz VCQGSPZBMCJCSM-CQSZACIVSA-N 0 3 345.395 3.158 20 10 EGCDHN C[C@@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])CCC[C@]1(C)O ZINC001233726225 1376703518 /nfs/dbraw/zinc/70/35/18/1376703518.db2.gz ATHJKXVANGCJFJ-ABAIWWIYSA-N 0 3 333.350 3.274 20 10 EGCDHN C[C@@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])CCC[C@]1(C)O ZINC001233726225 1376703521 /nfs/dbraw/zinc/70/35/21/1376703521.db2.gz ATHJKXVANGCJFJ-ABAIWWIYSA-N 0 3 333.350 3.274 20 10 EGCDHN [O-]c1cccc(F)c1C[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC001137837546 1377627031 /nfs/dbraw/zinc/62/70/31/1377627031.db2.gz LHTLJAXKWGTCTL-QFBILLFUSA-N 0 3 326.415 3.238 20 10 EGCDHN [O-]c1cccc(F)c1C[N@H+]1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC001137837546 1377627032 /nfs/dbraw/zinc/62/70/32/1377627032.db2.gz LHTLJAXKWGTCTL-QFBILLFUSA-N 0 3 326.415 3.238 20 10 EGCDHN OC[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@@H]1C(F)(F)F ZINC001138215744 1377690417 /nfs/dbraw/zinc/69/04/17/1377690417.db2.gz RXUNTBXSPOMMSH-WBVHZDCISA-N 0 3 342.405 3.280 20 10 EGCDHN CCCNC(=O)[C@@H]1CCCCN1Cc1c(C)n(C)c2ccccc12 ZINC001138256950 1377694870 /nfs/dbraw/zinc/69/48/70/1377694870.db2.gz QNJHKNDJQXDHDM-IBGZPJMESA-N 0 3 327.472 3.367 20 10 EGCDHN C[N@H+](Cc1cc(F)ccc1[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001140055080 1377997111 /nfs/dbraw/zinc/99/71/11/1377997111.db2.gz HMUBCJWQBHNVIK-OAHLLOKOSA-N 0 3 338.423 3.363 20 10 EGCDHN C[N@@H+](Cc1cc(F)ccc1[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001140055080 1377997114 /nfs/dbraw/zinc/99/71/14/1377997114.db2.gz HMUBCJWQBHNVIK-OAHLLOKOSA-N 0 3 338.423 3.363 20 10 EGCDHN O=C1Nc2ccccc2C2(CC[NH+](Cc3cc(F)ccc3[O-])CC2)N1 ZINC001140058482 1377997900 /nfs/dbraw/zinc/99/79/00/1377997900.db2.gz CMHMUYDGGPZWSU-UHFFFAOYSA-N 0 3 341.386 3.158 20 10 EGCDHN CCOCc1ncn2c1CN(Cc1c(C)ccc(C)c1O)CCC2 ZINC001140181172 1378027185 /nfs/dbraw/zinc/02/71/85/1378027185.db2.gz SMJUJJRHRBLIAP-UHFFFAOYSA-N 0 3 329.444 3.148 20 10 EGCDHN CCN1CCN(c2ccc(CN3CC[C@H](C)C(F)(F)C3)cc2)CC1 ZINC001140302007 1378042798 /nfs/dbraw/zinc/04/27/98/1378042798.db2.gz HFISYNLEFSMHLO-INIZCTEOSA-N 0 3 337.458 3.306 20 10 EGCDHN Cc1ccc(C[NH+]2CCC3(C[C@@H](OCC4CC4)CO3)CC2)c([O-])c1 ZINC001140952369 1378190088 /nfs/dbraw/zinc/19/00/88/1378190088.db2.gz PHKZFHJMARPDIB-GOSISDBHSA-N 0 3 331.456 3.251 20 10 EGCDHN Cc1ccc(C[N@@H+]2CC[C@@]3(CCN(c4ccsc4)C3=O)C2)c([O-])c1 ZINC001140952233 1378190261 /nfs/dbraw/zinc/19/02/61/1378190261.db2.gz JIMRVBHNEXTYBQ-LJQANCHMSA-N 0 3 342.464 3.391 20 10 EGCDHN Cc1ccc(C[N@H+]2CC[C@@]3(CCN(c4ccsc4)C3=O)C2)c([O-])c1 ZINC001140952233 1378190264 /nfs/dbraw/zinc/19/02/64/1378190264.db2.gz JIMRVBHNEXTYBQ-LJQANCHMSA-N 0 3 342.464 3.391 20 10 EGCDHN CO[C@H](CN1CCN(Cc2ccc(C)cc2O)CC1)c1ccccc1 ZINC001140957489 1378193014 /nfs/dbraw/zinc/19/30/14/1378193014.db2.gz BFFYUGOHFPSIFD-OAQYLSRUSA-N 0 3 340.467 3.206 20 10 EGCDHN Cc1cnc(NCc2cc(Cl)c3cccnc3c2[O-])c(C[NH3+])c1 ZINC001157726803 1381016323 /nfs/dbraw/zinc/01/63/23/1381016323.db2.gz ZVRLMGNVHMKZTQ-UHFFFAOYSA-N 0 3 328.803 3.368 20 10 EGCDHN CN1CCN(c2ccc(CN[C@H]3CCCc4occc43)cc2F)CC1 ZINC001318630628 1385805581 /nfs/dbraw/zinc/80/55/81/1385805581.db2.gz XFGQRINKYKPXFE-SFHVURJKSA-N 0 3 343.446 3.338 20 10 EGCDHN CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001319799450 1386301204 /nfs/dbraw/zinc/30/12/04/1386301204.db2.gz YXEQFOULUMIMGD-QGZVFWFLSA-N 0 3 345.487 3.386 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC[C@H](C(=O)NC3CC3)C2)cc1F ZINC001319948878 1386411977 /nfs/dbraw/zinc/41/19/77/1386411977.db2.gz XBTFIVYOSLSHLI-INIZCTEOSA-N 0 3 347.478 3.163 20 10 EGCDHN OC[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)CC[C@H]1C(F)(F)F ZINC001329791017 1389225159 /nfs/dbraw/zinc/22/51/59/1389225159.db2.gz GGSZWIIRBMJYOV-DOTOQJQBSA-N 0 3 342.405 3.280 20 10 EGCDHN CN(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1c([O-])cccc1Br ZINC001348085733 1391171292 /nfs/dbraw/zinc/17/12/92/1391171292.db2.gz KDBFJSOMLYZGHX-KBPBESRZSA-N 0 3 327.266 3.117 20 10 EGCDHN C[C@@H](NCc1cc(F)c(N(C)C)cc1F)[C@@H](O)Cc1ccccc1 ZINC001351330638 1391627886 /nfs/dbraw/zinc/62/78/86/1391627886.db2.gz LBLANYDQSOHYAP-YJYMSZOUSA-N 0 3 334.410 3.113 20 10 EGCDHN CC[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(C(=O)[O-])cc1 ZINC001595289347 980378527 /nfs/dbraw/zinc/37/85/27/980378527.db2.gz JMLRJZLPNIFVQH-RTBURBONSA-N 0 3 341.455 3.192 20 10 EGCDHN C[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1cc(Br)ccc1[O-] ZINC000181011513 455275251 /nfs/dbraw/zinc/27/52/51/455275251.db2.gz HQFCAKJBSMNJOG-NEPJUHHUSA-N 0 3 339.277 3.290 20 10 EGCDHN CCCCN(C)C(=O)C1CC[NH+](Cc2cccc(OCC)c2[O-])CC1 ZINC000092145655 454528535 /nfs/dbraw/zinc/52/85/35/454528535.db2.gz NGXOEWPINXSSAX-UHFFFAOYSA-N 0 3 348.487 3.261 20 10 EGCDHN CCN(CC)c1ccc(CN2CC[C@@H](COCCOC)C2)cc1F ZINC000093754679 454731917 /nfs/dbraw/zinc/73/19/17/454731917.db2.gz HSSBNMBFNVUEEE-QGZVFWFLSA-N 0 3 338.467 3.157 20 10 EGCDHN CCCOc1ccc(CN[C@@H](C[S@](C)=O)c2ccccc2)c(O)c1 ZINC000154716209 454922977 /nfs/dbraw/zinc/92/29/77/454922977.db2.gz QFMLLRFAIKNOSB-MHECFPHRSA-N 0 3 347.480 3.390 20 10 EGCDHN C[C@@H](NC[C@@H](O)CC(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000178436713 454955473 /nfs/dbraw/zinc/95/54/73/454955473.db2.gz QIYZEOGTJMFDFV-ZBFHGGJFSA-N 0 3 338.467 3.110 20 10 EGCDHN CC[C@@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1ccccc1[O-] ZINC000155211816 454975877 /nfs/dbraw/zinc/97/58/77/454975877.db2.gz MUZDOZIVHNRIOB-GOSISDBHSA-N 0 3 342.439 3.100 20 10 EGCDHN CCOCc1cc(CNC[C@](C)(O)c2ccc(F)cc2)ccc1OC ZINC000179047075 455002415 /nfs/dbraw/zinc/00/24/15/455002415.db2.gz TUTFYQWBXBJEHF-FQEVSTJZSA-N 0 3 347.430 3.368 20 10 EGCDHN C[C@H](NCCOCc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000156901530 455156194 /nfs/dbraw/zinc/15/61/94/455156194.db2.gz CTUKHMUWXGLHED-SFHVURJKSA-N 0 3 340.467 3.391 20 10 EGCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)c1ccccc1Br ZINC000157249699 455176412 /nfs/dbraw/zinc/17/64/12/455176412.db2.gz NOTDJXONJXPRMD-INIZCTEOSA-N 0 3 336.229 3.320 20 10 EGCDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)c1ccccc1Br ZINC000157249699 455176415 /nfs/dbraw/zinc/17/64/15/455176415.db2.gz NOTDJXONJXPRMD-INIZCTEOSA-N 0 3 336.229 3.320 20 10 EGCDHN COc1cccc(CNCc2cc(Cl)c3c(c2)OCCO3)c1O ZINC000237391601 455181051 /nfs/dbraw/zinc/18/10/51/455181051.db2.gz UYVWYZZHNWWRTB-UHFFFAOYSA-N 0 3 335.787 3.115 20 10 EGCDHN CC[C@@H]([NH2+][C@H]1CCN(c2ccccc2F)C1=O)c1ccccc1[O-] ZINC000183331739 455278516 /nfs/dbraw/zinc/27/85/16/455278516.db2.gz ZOGJTFOXGRGVSR-CVEARBPZSA-N 0 3 328.387 3.378 20 10 EGCDHN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1cccnc1 ZINC000158496741 455308943 /nfs/dbraw/zinc/30/89/43/455308943.db2.gz KNKJPCAMSQUWKA-LSDHHAIUSA-N 0 3 329.419 3.469 20 10 EGCDHN C[C@H](NCCCS(=O)(=O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000158643514 455318485 /nfs/dbraw/zinc/31/84/85/455318485.db2.gz IJKYPNGJRQBZFT-INIZCTEOSA-N 0 3 346.496 3.267 20 10 EGCDHN CCN1CCN(c2ccc(CN[C@H](C)c3ccccn3)cc2F)CC1 ZINC000159054114 455347873 /nfs/dbraw/zinc/34/78/73/455347873.db2.gz MRRDRWQLMNZESG-MRXNPFEDSA-N 0 3 342.462 3.213 20 10 EGCDHN Cc1cncc([C@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000184295064 455368776 /nfs/dbraw/zinc/36/87/76/455368776.db2.gz JKGYDMOSQVOWTR-KRWDZBQOSA-N 0 3 339.483 3.450 20 10 EGCDHN Cc1cncc([C@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000184295002 455369375 /nfs/dbraw/zinc/36/93/75/455369375.db2.gz WEMHNQDMDGRJJM-HNNXBMFYSA-N 0 3 343.446 3.341 20 10 EGCDHN Cc1cc([O-])c(C[NH2+]CC2(N3CCCCC3)CCOCC2)cc1C ZINC000174380119 455384580 /nfs/dbraw/zinc/38/45/80/455384580.db2.gz MMTIXYGRRGRFAO-UHFFFAOYSA-N 0 3 332.488 3.134 20 10 EGCDHN FC(F)Oc1ccc(N2CCC[C@H](NCc3ccccn3)C2)cc1 ZINC000174622584 455407367 /nfs/dbraw/zinc/40/73/67/455407367.db2.gz WMQHQOMKYHIOBJ-HNNXBMFYSA-N 0 3 333.382 3.442 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c1[O-] ZINC000184710124 455434430 /nfs/dbraw/zinc/43/44/30/455434430.db2.gz PEWLMCBDRSTFMU-CJNGLKHVSA-N 0 3 343.876 3.199 20 10 EGCDHN CCOc1cccc(CN[C@H](C[S@](C)=O)c2ccccc2)c1O ZINC000182097528 455435266 /nfs/dbraw/zinc/43/52/66/455435266.db2.gz WZIHTYFAEKIXQI-MWTRTKDXSA-N 0 3 333.453 3.000 20 10 EGCDHN COc1cccc(C[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)c1[O-] ZINC000184786534 455448045 /nfs/dbraw/zinc/44/80/45/455448045.db2.gz GMNUNYNTDDNKGO-GOSISDBHSA-N 0 3 327.424 3.174 20 10 EGCDHN COc1cccc(C[N@@H+](Cc2ccccc2)[C@H](CO)C2CC2)c1[O-] ZINC000184786534 455448048 /nfs/dbraw/zinc/44/80/48/455448048.db2.gz GMNUNYNTDDNKGO-GOSISDBHSA-N 0 3 327.424 3.174 20 10 EGCDHN Cc1ccc([C@H](C[NH2+][C@H](C)c2cc(C)ccc2[O-])N2CCOCC2)o1 ZINC000184909278 455470434 /nfs/dbraw/zinc/47/04/34/455470434.db2.gz BCYYTFGLAJCHQK-AEFFLSMTSA-N 0 3 344.455 3.326 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]C2CCN(C(=O)c3ccco3)CC2)c([O-])c1 ZINC000184967278 455479515 /nfs/dbraw/zinc/47/95/15/455479515.db2.gz MRAIPPXWCIRKIS-AWEZNQCLSA-N 0 3 328.412 3.249 20 10 EGCDHN CCNC(=O)c1ccc(CN[C@H](C)c2cc(OC)ccc2O)cc1 ZINC000185027520 455487508 /nfs/dbraw/zinc/48/75/08/455487508.db2.gz OPVCHDGLPONSJI-CYBMUJFWSA-N 0 3 328.412 3.001 20 10 EGCDHN CCNC(=O)c1ccc(C[NH2+][C@H](C)c2cc(OC)ccc2[O-])cc1 ZINC000185027520 455487511 /nfs/dbraw/zinc/48/75/11/455487511.db2.gz OPVCHDGLPONSJI-CYBMUJFWSA-N 0 3 328.412 3.001 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]C2CCN(Cc3ccncc3)CC2)c([O-])c1 ZINC000185069149 455495758 /nfs/dbraw/zinc/49/57/58/455495758.db2.gz GXTAHPZYOLLYHW-MRXNPFEDSA-N 0 3 325.456 3.411 20 10 EGCDHN COc1ccc(O)c([C@@H](C)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000185170597 455515170 /nfs/dbraw/zinc/51/51/70/455515170.db2.gz SLYCQUIVWFKGEH-CHWSQXEVSA-N 0 3 349.452 3.216 20 10 EGCDHN C[C@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-])CN1CCN(C)CC1 ZINC000185344070 455545098 /nfs/dbraw/zinc/54/50/98/455545098.db2.gz CIUFRWRCVBWNJS-SJORKVTESA-N 0 3 341.499 3.080 20 10 EGCDHN CCc1cc(N2CCC([NH2+][C@@H](C)c3cc(C)ccc3[O-])CC2)ncn1 ZINC000185642481 455588560 /nfs/dbraw/zinc/58/85/60/455588560.db2.gz ZAVXPCYEMDXOTL-HNNXBMFYSA-N 0 3 340.471 3.373 20 10 EGCDHN CCCOc1ccc(C[NH2+][C@@H]2C[C@@H](OCC)C23CCOCC3)c([O-])c1 ZINC000185656205 455590435 /nfs/dbraw/zinc/59/04/35/455590435.db2.gz CWQXHLHDHPKUMP-RTBURBONSA-N 0 3 349.471 3.245 20 10 EGCDHN CC[S@@](=O)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2cc(OC)ccc2[O-])C1 ZINC000185657501 455590454 /nfs/dbraw/zinc/59/04/54/455590454.db2.gz HMXMNKSIYNVACK-FEJXLUKYSA-N 0 3 325.474 3.131 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]CCNC(=O)c2c(F)cccc2F)c([O-])c1 ZINC000186025003 455678632 /nfs/dbraw/zinc/67/86/32/455678632.db2.gz FSVJQPQGBLZGET-GFCCVEGCSA-N 0 3 334.366 3.059 20 10 EGCDHN COC(=O)COc1cccc(C[NH2+][C@H](C)c2cc(C)ccc2[O-])c1 ZINC000186049497 455684616 /nfs/dbraw/zinc/68/46/16/455684616.db2.gz QUEIYVLQPXNIPJ-CQSZACIVSA-N 0 3 329.396 3.103 20 10 EGCDHN C[C@@]12CCN(Cc3cc4c(cc3O)OCO4)C[C@@H]1C2(Cl)Cl ZINC000284544189 455704044 /nfs/dbraw/zinc/70/40/44/455704044.db2.gz VRQCNINALBQDMH-UONOGXRCSA-N 0 3 330.211 3.137 20 10 EGCDHN C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O)c1cc(F)ccc1[O-] ZINC000186195713 455714322 /nfs/dbraw/zinc/71/43/22/455714322.db2.gz BCUHCCKBCSYHBX-RDTXWAMCSA-N 0 3 342.414 3.373 20 10 EGCDHN COC(=O)COc1cccc(C[NH2+][C@H](C)c2c(C)cc(C)cc2[O-])c1 ZINC000284910049 455761114 /nfs/dbraw/zinc/76/11/14/455761114.db2.gz CPCRTWGFRCZLQE-OAHLLOKOSA-N 0 3 343.423 3.412 20 10 EGCDHN Cc1cc(CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)ccc1N(C)C ZINC000293470167 455787696 /nfs/dbraw/zinc/78/76/96/455787696.db2.gz DZRCWKULTCUHRW-CABCVRRESA-N 0 3 330.394 3.054 20 10 EGCDHN COc1cc([O-])c(C[NH2+][C@H](C)[C@@H](OC)c2ccc(F)cc2)cc1OC ZINC000271870226 455793458 /nfs/dbraw/zinc/79/34/58/455793458.db2.gz XJPLLNDQPJEGGJ-CWTRNNRKSA-N 0 3 349.402 3.414 20 10 EGCDHN COc1ccc(C(=O)NCC[NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])cc1 ZINC000285175947 455800633 /nfs/dbraw/zinc/80/06/33/455800633.db2.gz NBRWNZNKGHBDIJ-HNNXBMFYSA-N 0 3 342.439 3.098 20 10 EGCDHN Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)c([O-])c1 ZINC000293945039 455800791 /nfs/dbraw/zinc/80/07/91/455800791.db2.gz YWIHFQVFRWCXFX-OAHLLOKOSA-N 0 3 347.480 3.404 20 10 EGCDHN Cc1cc(CN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)ccc1N(C)C ZINC000294024911 455802727 /nfs/dbraw/zinc/80/27/27/455802727.db2.gz HREDDSVTAQJTGX-GDBMZVCRSA-N 0 3 330.394 3.196 20 10 EGCDHN Cc1n[nH]c(CC[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])n1 ZINC000294072607 455805161 /nfs/dbraw/zinc/80/51/61/455805161.db2.gz HWGRFFACPVJPHH-SFHVURJKSA-N 0 3 336.439 3.325 20 10 EGCDHN Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000285338093 455825820 /nfs/dbraw/zinc/82/58/20/455825820.db2.gz UPGVJPFWLJHJDL-OAHLLOKOSA-N 0 3 330.428 3.381 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1 ZINC000294772722 455827938 /nfs/dbraw/zinc/82/79/38/455827938.db2.gz KGYBOFVXKSYBKC-ZIAGYGMSSA-N 0 3 334.460 3.075 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[N@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1 ZINC000294772722 455827940 /nfs/dbraw/zinc/82/79/40/455827940.db2.gz KGYBOFVXKSYBKC-ZIAGYGMSSA-N 0 3 334.460 3.075 20 10 EGCDHN CC(C)(CO)[C@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)c1cccs1 ZINC000296088401 455868566 /nfs/dbraw/zinc/86/85/66/455868566.db2.gz SOBGYIZOFRWSLT-MRXNPFEDSA-N 0 3 335.425 3.032 20 10 EGCDHN CC(C)(CO)[C@H](NCc1cc2c(cc1O)OCO2)c1cccs1 ZINC000296088401 455868574 /nfs/dbraw/zinc/86/85/74/455868574.db2.gz SOBGYIZOFRWSLT-MRXNPFEDSA-N 0 3 335.425 3.032 20 10 EGCDHN CCC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1[O-])[C@H](O)c1ccccc1 ZINC000279615359 455868833 /nfs/dbraw/zinc/86/88/33/455868833.db2.gz GDOOGUAOUJWCRP-OXQOHEQNSA-N 0 3 345.439 3.401 20 10 EGCDHN CN(C)c1ccc(CNCC2([S@](C)=O)CCC2)c(C(F)(F)F)c1 ZINC000280620447 456015060 /nfs/dbraw/zinc/01/50/60/456015060.db2.gz KZJFBCXCPBLCSY-QHCPKHFHSA-N 0 3 348.434 3.162 20 10 EGCDHN CCN(CC)c1ccc(CNCC2([S@](C)=O)CCC2)cc1F ZINC000280742090 456042393 /nfs/dbraw/zinc/04/23/93/456042393.db2.gz WXYGPFVEEAQFBK-QFIPXVFZSA-N 0 3 326.481 3.063 20 10 EGCDHN C[C@H](NCc1ccncc1OC[C@H]1CCOC1)c1ccccc1O ZINC000287518113 456071152 /nfs/dbraw/zinc/07/11/52/456071152.db2.gz ZOBIVNZYCABVDL-GJZGRUSLSA-N 0 3 328.412 3.053 20 10 EGCDHN COc1cccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]2C)c1[O-] ZINC000288443695 456096352 /nfs/dbraw/zinc/09/63/52/456096352.db2.gz MFKIIMWBIIIEGA-MAUKXSAKSA-N 0 3 326.440 3.153 20 10 EGCDHN Cc1c[nH]nc1CN[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000289521946 456128762 /nfs/dbraw/zinc/12/87/62/456128762.db2.gz NVIZREIVSUXJAM-ZDUSSCGKSA-N 0 3 336.386 3.078 20 10 EGCDHN COc1cccc(CN[C@H](C)c2ccc3c(c2)CCC(=O)N3)c1O ZINC000263720285 456201828 /nfs/dbraw/zinc/20/18/28/456201828.db2.gz WBQOEISWJIWLOM-GFCCVEGCSA-N 0 3 326.396 3.136 20 10 EGCDHN COc1cccc(C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)c1[O-] ZINC000263720285 456201833 /nfs/dbraw/zinc/20/18/33/456201833.db2.gz WBQOEISWJIWLOM-GFCCVEGCSA-N 0 3 326.396 3.136 20 10 EGCDHN COc1cc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2[O-])ccc1OCCO ZINC000273299394 456222795 /nfs/dbraw/zinc/22/27/95/456222795.db2.gz BAAZAXHWTMYDCI-HNNXBMFYSA-N 0 3 345.439 3.240 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000273390227 456226579 /nfs/dbraw/zinc/22/65/79/456226579.db2.gz KKBRETWALKDFQJ-HNNXBMFYSA-N 0 3 342.439 3.088 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]CCNC(=O)c2ccccc2F)c([O-])c1C ZINC000273431113 456230297 /nfs/dbraw/zinc/23/02/97/456230297.db2.gz VRVRZEKSMYKSFM-AWEZNQCLSA-N 0 3 330.403 3.229 20 10 EGCDHN CCN1CCC([NH2+][C@@H](C)c2ccc(Br)cc2[O-])CC1 ZINC000273437544 456230362 /nfs/dbraw/zinc/23/03/62/456230362.db2.gz XMCFAMHEJPCPDJ-NSHDSACASA-N 0 3 327.266 3.290 20 10 EGCDHN O=C(NCC[NH2+][C@H]1CCc2cccc([O-])c21)c1ccccc1Cl ZINC000297498075 456235984 /nfs/dbraw/zinc/23/59/84/456235984.db2.gz BUKUCDWUHKKFOT-HNNXBMFYSA-N 0 3 330.815 3.053 20 10 EGCDHN COc1ccc([O-])c(C[NH2+]C2CCC(O)(c3ccccc3)CC2)c1 ZINC000273739647 456243891 /nfs/dbraw/zinc/24/38/91/456243891.db2.gz LQJMKHOTGRATKN-UHFFFAOYSA-N 0 3 327.424 3.321 20 10 EGCDHN COc1ccc(N2CCN(CCCC3CCOCC3)CC2)cc1F ZINC000274232988 456252639 /nfs/dbraw/zinc/25/26/39/456252639.db2.gz SWTUHDDPFMEACV-UHFFFAOYSA-N 0 3 336.451 3.163 20 10 EGCDHN Cc1cccc(C[N@@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c1[O-] ZINC000290190977 456263246 /nfs/dbraw/zinc/26/32/46/456263246.db2.gz ORVYLFACSJKSJI-HXUWFJFHSA-N 0 3 329.415 3.267 20 10 EGCDHN Cc1cccc(C[N@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c1[O-] ZINC000290190977 456263252 /nfs/dbraw/zinc/26/32/52/456263252.db2.gz ORVYLFACSJKSJI-HXUWFJFHSA-N 0 3 329.415 3.267 20 10 EGCDHN CCCCN(Cc1ccccc1O)[C@@H](C)C(=O)Nc1nccs1 ZINC000282452335 456519061 /nfs/dbraw/zinc/51/90/61/456519061.db2.gz LWOBSXZHIZZPSW-ZDUSSCGKSA-N 0 3 333.457 3.478 20 10 EGCDHN CCOc1cccc(C[NH2+][C@H]2CCN(c3ccccc3F)C2)c1[O-] ZINC000291644923 456707279 /nfs/dbraw/zinc/70/72/79/456707279.db2.gz CAUVUOLDDWWRBS-HNNXBMFYSA-N 0 3 330.403 3.299 20 10 EGCDHN Cc1c2ccccc2n(C)c1CNC(=O)c1cccc(CN(C)C)c1 ZINC000352120074 457340015 /nfs/dbraw/zinc/34/00/15/457340015.db2.gz IARZKKYTOHKXAP-UHFFFAOYSA-N 0 3 335.451 3.478 20 10 EGCDHN COC(=O)c1cc(CNCc2c(C)c3ccccc3n2C)n(C)c1C ZINC000361123637 457596617 /nfs/dbraw/zinc/59/66/17/457596617.db2.gz OZYRKAYCOLTDIX-UHFFFAOYSA-N 0 3 339.439 3.210 20 10 EGCDHN CCOc1cccc(CN2CCC(C)(c3nc(C)no3)CC2)c1O ZINC000374742298 457698812 /nfs/dbraw/zinc/69/88/12/457698812.db2.gz IJZGHJPMQXEHLB-UHFFFAOYSA-N 0 3 331.416 3.036 20 10 EGCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]C[C@H]2CCSC2)C1 ZINC000366746723 457894531 /nfs/dbraw/zinc/89/45/31/457894531.db2.gz RHRNAYZOUUXWQH-CZUORRHYSA-N 0 3 340.920 3.353 20 10 EGCDHN CC[C@H](N[C@@H]1CCCc2c1cnn2CCO)c1ccc(N(C)C)cc1 ZINC000368564787 458045961 /nfs/dbraw/zinc/04/59/61/458045961.db2.gz VSMYVYCEAAXKMB-RBUKOAKNSA-N 0 3 342.487 3.060 20 10 EGCDHN CN1CCC2(CCC[N@@H+]2Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000368947999 458066553 /nfs/dbraw/zinc/06/65/53/458066553.db2.gz ABOKKSBHGBHPCI-UHFFFAOYSA-N 0 3 339.823 3.014 20 10 EGCDHN CN1CCC2(CCC[N@H+]2Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000368947999 458066559 /nfs/dbraw/zinc/06/65/59/458066559.db2.gz ABOKKSBHGBHPCI-UHFFFAOYSA-N 0 3 339.823 3.014 20 10 EGCDHN Cc1c2ccccc2n(C)c1CNCc1ccccc1C(=O)N(C)C ZINC000418037308 458371417 /nfs/dbraw/zinc/37/14/17/458371417.db2.gz XDVORRVBJOEXMJ-UHFFFAOYSA-N 0 3 335.451 3.478 20 10 EGCDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCc2ccccc2O)C1 ZINC000726237804 574546784 /nfs/dbraw/zinc/54/67/84/574546784.db2.gz MVWMLQZOSJLECS-QAPCUYQASA-N 0 3 339.439 3.027 20 10 EGCDHN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@@H]1CCCN(C)C1 ZINC000731024962 575045368 /nfs/dbraw/zinc/04/53/68/575045368.db2.gz GOYQIBUPIQKSAT-SFHVURJKSA-N 0 3 339.483 3.474 20 10 EGCDHN Cc1cc(NC(=O)CN(Cc2ccccc2O)C2CCCC2)no1 ZINC000731848396 575212459 /nfs/dbraw/zinc/21/24/59/575212459.db2.gz XUDWJFFCDNFHDC-UHFFFAOYSA-N 0 3 329.400 3.072 20 10 EGCDHN CC[NH+](CC)CCOc1ccccc1CNC(=O)c1cc([O-])cs1 ZINC000731870375 575213932 /nfs/dbraw/zinc/21/39/32/575213932.db2.gz XKSBIDPVWUKXHV-UHFFFAOYSA-N 0 3 348.468 3.104 20 10 EGCDHN O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc([O-])cs1 ZINC000732278703 575253851 /nfs/dbraw/zinc/25/38/51/575253851.db2.gz SJAWSROTZQNNBS-OAHLLOKOSA-N 0 3 330.453 3.096 20 10 EGCDHN O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc([O-])cs1 ZINC000732278703 575253855 /nfs/dbraw/zinc/25/38/55/575253855.db2.gz SJAWSROTZQNNBS-OAHLLOKOSA-N 0 3 330.453 3.096 20 10 EGCDHN CCC(CC)(CO)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000734843349 575559082 /nfs/dbraw/zinc/55/90/82/575559082.db2.gz KRGRXQPDCAEBAU-UHFFFAOYSA-N 0 3 335.448 3.226 20 10 EGCDHN Cc1ccc([O-])c(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1 ZINC000734844161 575559498 /nfs/dbraw/zinc/55/94/98/575559498.db2.gz WUIKZQRAANNNLK-NVXWUHKLSA-N 0 3 339.357 3.325 20 10 EGCDHN O=[N+]([O-])c1cc(CNCCc2ccccn2)ccc1N1CCCCC1 ZINC000743503160 576810619 /nfs/dbraw/zinc/81/06/19/576810619.db2.gz JOLXMXYXKLBTCC-UHFFFAOYSA-N 0 3 340.427 3.312 20 10 EGCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)COc1cccc(C)c1 ZINC000743869854 576817876 /nfs/dbraw/zinc/81/78/76/576817876.db2.gz CNWIYXAULUGTQJ-SFHVURJKSA-N 0 3 329.440 3.353 20 10 EGCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)COc1cccc(C)c1 ZINC000743869854 576817877 /nfs/dbraw/zinc/81/78/77/576817877.db2.gz CNWIYXAULUGTQJ-SFHVURJKSA-N 0 3 329.440 3.353 20 10 EGCDHN Cc1ccc(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)c([O-])c1 ZINC000877572302 1299407015 /nfs/dbraw/zinc/40/70/15/1299407015.db2.gz OMZRIUAQWUKOFO-BPQIPLTHSA-N 0 3 329.444 3.184 20 10 EGCDHN CCOC(=O)[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000006999416 1291055635 /nfs/dbraw/zinc/05/56/35/1291055635.db2.gz YNISMBAWYROXSE-OAHLLOKOSA-N 0 3 343.423 3.329 20 10 EGCDHN CCOC(=O)[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000006999416 1291055646 /nfs/dbraw/zinc/05/56/46/1291055646.db2.gz YNISMBAWYROXSE-OAHLLOKOSA-N 0 3 343.423 3.329 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](O)[C@@H](C)c2ccccc2)c1[O-] ZINC000827734487 1292362337 /nfs/dbraw/zinc/36/23/37/1292362337.db2.gz YOXVXCWJJMFGGE-BLLLJJGKSA-N 0 3 335.831 3.308 20 10 EGCDHN CNC(=O)C1(NCc2ccc(N3CCCCC3)c(C)c2)CCCC1 ZINC000828304705 1292452587 /nfs/dbraw/zinc/45/25/87/1292452587.db2.gz BUQOVDJFBTZPJK-UHFFFAOYSA-N 0 3 329.488 3.134 20 10 EGCDHN Cc1cc(C(=O)CSCCN(C)C)c(C)n1-c1ccc(F)cn1 ZINC000829290986 1292558584 /nfs/dbraw/zinc/55/85/84/1292558584.db2.gz ITXANFQGWUZOJJ-UHFFFAOYSA-N 0 3 335.448 3.106 20 10 EGCDHN O=C(c1ccc(C[NH2+][C@H]2CCc3cccc([O-])c32)cc1)N1CCCC1 ZINC000834537829 1293113794 /nfs/dbraw/zinc/11/37/94/1293113794.db2.gz KPRBXZGMDBIBQJ-SFHVURJKSA-N 0 3 336.435 3.405 20 10 EGCDHN Cc1ccc(C[NH2+][C@H]2CCc3cccc([O-])c32)c(N2CCOCC2)c1 ZINC000834619435 1293123853 /nfs/dbraw/zinc/12/38/53/1293123853.db2.gz HCDPLMVRLDHMMH-SFHVURJKSA-N 0 3 338.451 3.314 20 10 EGCDHN O=C(C1CCC1)N(CCC[NH2+][C@H]1CCc2cccc([O-])c21)C1CC1 ZINC000834640493 1293125828 /nfs/dbraw/zinc/12/58/28/1293125828.db2.gz MVPWMFIGBHRQRI-KRWDZBQOSA-N 0 3 328.456 3.150 20 10 EGCDHN Cn1c2ccc(F)cc2nc1CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834658519 1293128752 /nfs/dbraw/zinc/12/87/52/1293128752.db2.gz WWSBHAQOKIWRGF-AWEZNQCLSA-N 0 3 325.387 3.238 20 10 EGCDHN O=C1[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCN1c1ccc(Cl)cc1 ZINC000834662657 1293129501 /nfs/dbraw/zinc/12/95/01/1293129501.db2.gz BHGIIMGMYCOZAP-HOTGVXAUSA-N 0 3 342.826 3.428 20 10 EGCDHN C[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)C(=O)N1c2ccccc2C[C@H]1C ZINC000834903038 1293170397 /nfs/dbraw/zinc/17/03/97/1293170397.db2.gz HKHMGMHPYMJKFE-JKIFEVAISA-N 0 3 336.435 3.335 20 10 EGCDHN O=C1[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C[C@@H]2CCCCN12 ZINC000835074659 1293201045 /nfs/dbraw/zinc/20/10/45/1293201045.db2.gz SMBCFUOVNWBYHG-RBUKOAKNSA-N 0 3 336.435 3.302 20 10 EGCDHN CCOCCO[C@H]1CC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000138436956 1293835392 /nfs/dbraw/zinc/83/53/92/1293835392.db2.gz VTDVQEMQVBOUTO-KRWDZBQOSA-N 0 3 345.439 3.181 20 10 EGCDHN CCOCCO[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000138436956 1293835397 /nfs/dbraw/zinc/83/53/97/1293835397.db2.gz VTDVQEMQVBOUTO-KRWDZBQOSA-N 0 3 345.439 3.181 20 10 EGCDHN Cc1ncc([C@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(C)n1 ZINC000155305582 1294092151 /nfs/dbraw/zinc/09/21/51/1294092151.db2.gz WLNZKNSYZKCEBP-CABCVRRESA-N 0 3 340.471 3.342 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCC(=O)N(C)Cc2ccccc2C)c1 ZINC000182428116 1295045400 /nfs/dbraw/zinc/04/54/00/1295045400.db2.gz UVPDGOMGFURGTD-HNNXBMFYSA-N 0 3 342.439 3.018 20 10 EGCDHN CC/C=C/CCN1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000185449751 1295264186 /nfs/dbraw/zinc/26/41/86/1295264186.db2.gz YBXKJLRKZJCWRY-VOTSOKGWSA-N 0 3 334.460 3.191 20 10 EGCDHN C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1)c1cc(F)ccc1[O-] ZINC000311844317 1297113003 /nfs/dbraw/zinc/11/30/03/1297113003.db2.gz OCOZIZOIZHHCQF-MAUKXSAKSA-N 0 3 344.430 3.083 20 10 EGCDHN CC[C@@H]([NH2+]C[C@@H](C)CN(C)C)c1cc(Br)ccc1[O-] ZINC000388708244 1297604150 /nfs/dbraw/zinc/60/41/50/1297604150.db2.gz XBCSCTLVWLFDMF-BXUZGUMPSA-N 0 3 329.282 3.393 20 10 EGCDHN C[C@@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1O ZINC000875005893 1298198345 /nfs/dbraw/zinc/19/83/45/1298198345.db2.gz YGIAYJSKGKSGEZ-NVXWUHKLSA-N 0 3 339.439 3.027 20 10 EGCDHN COc1cc(Br)cc(C[NH2+]CCc2ccco2)c1[O-] ZINC000725841388 1298371836 /nfs/dbraw/zinc/37/18/36/1298371836.db2.gz DHPBAPCRUFTEIK-UHFFFAOYSA-N 0 3 326.190 3.089 20 10 EGCDHN Cc1cc(C(=O)N(C)CCN(C)C)c(C)n1-c1cccc(Cl)c1 ZINC000747173772 1298739346 /nfs/dbraw/zinc/73/93/46/1298739346.db2.gz TYSWDQVROAKVTB-UHFFFAOYSA-N 0 3 333.863 3.381 20 10 EGCDHN CCN(Cc1ccc(N2CCC(O)CC2)cc1)Cc1ccccn1 ZINC000876726245 1298942687 /nfs/dbraw/zinc/94/26/87/1298942687.db2.gz XCAFSMQNNXIGJW-UHFFFAOYSA-N 0 3 325.456 3.065 20 10 EGCDHN Cc1ccc(C[NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)c([O-])c1 ZINC000876992079 1299103655 /nfs/dbraw/zinc/10/36/55/1299103655.db2.gz YWHLYNGWRHQXGZ-INIZCTEOSA-N 0 3 341.329 3.422 20 10 EGCDHN Cc1cccc([O-])c1C[NH2+]CCCCn1cc(Br)cn1 ZINC000877485821 1299336814 /nfs/dbraw/zinc/33/68/14/1299336814.db2.gz APVVNSQOVJMZFH-UHFFFAOYSA-N 0 3 338.249 3.230 20 10 EGCDHN COc1cc(Br)cc(CN2CCC(SC)CC2)c1O ZINC000877663046 1299462927 /nfs/dbraw/zinc/46/29/27/1299462927.db2.gz DQSSQYUJFUIOPF-UHFFFAOYSA-N 0 3 346.290 3.491 20 10 EGCDHN CCC[N@H+](Cc1cc(=O)n2cc(C)ccc2n1)Cc1ccccc1[O-] ZINC000750875828 1299468190 /nfs/dbraw/zinc/46/81/90/1299468190.db2.gz YWIVDULVFHSHMC-UHFFFAOYSA-N 0 3 337.423 3.121 20 10 EGCDHN CCC[N@@H+](Cc1cc(=O)n2cc(C)ccc2n1)Cc1ccccc1[O-] ZINC000750875828 1299468195 /nfs/dbraw/zinc/46/81/95/1299468195.db2.gz YWIVDULVFHSHMC-UHFFFAOYSA-N 0 3 337.423 3.121 20 10 EGCDHN COc1cc(C)cc(CN2CCN(CCc3cccs3)CC2)c1O ZINC000754723406 1300201088 /nfs/dbraw/zinc/20/10/88/1300201088.db2.gz RUJNTNMJODGZBR-UHFFFAOYSA-N 0 3 346.496 3.131 20 10 EGCDHN CCOc1ccc(C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)c([O-])c1 ZINC000756035034 1300429968 /nfs/dbraw/zinc/42/99/68/1300429968.db2.gz SACRZRICNJFMID-JCQPUDPBSA-N 0 3 333.453 3.379 20 10 EGCDHN Cc1ncc2c(n1)CC[C@H]([NH2+][C@H]1C[C@@H](C)c3c1c([O-])ccc3F)C2 ZINC000756396985 1300482671 /nfs/dbraw/zinc/48/26/71/1300482671.db2.gz RDCYUGXDPFFIKQ-HICWGWBUSA-N 0 3 327.403 3.325 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+]CC(=O)N(C)Cc2ccccc2)c2c1c(F)ccc2[O-] ZINC000756432667 1300490224 /nfs/dbraw/zinc/49/02/24/1300490224.db2.gz LBVBIDGMJRTHNB-CZUORRHYSA-N 0 3 342.414 3.328 20 10 EGCDHN Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000756458925 1300497361 /nfs/dbraw/zinc/49/73/61/1300497361.db2.gz LOCODJKLTLMXSY-GDBMZVCRSA-N 0 3 333.403 3.239 20 10 EGCDHN C[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)C(=O)NCc1ccccc1 ZINC000756482344 1300503902 /nfs/dbraw/zinc/50/39/02/1300503902.db2.gz JKRXOGRTXXJWKV-DVOMOZLQSA-N 0 3 342.414 3.374 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)c2c1c(F)ccc2[O-] ZINC000756655525 1300542395 /nfs/dbraw/zinc/54/23/95/1300542395.db2.gz QNEQLOJWPIWBRD-INWMFGNUSA-N 0 3 346.446 3.460 20 10 EGCDHN CC(C)CN1CCC[C@H](C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000756762024 1300561343 /nfs/dbraw/zinc/56/13/43/1300561343.db2.gz SGXWGFMLQWORCI-LSDHHAIUSA-N 0 3 335.448 3.319 20 10 EGCDHN C[C@H](c1ccccc1)[N@H+](CCN1CCOCC1)Cc1ccccc1[O-] ZINC000757273785 1300662760 /nfs/dbraw/zinc/66/27/60/1300662760.db2.gz GBIDDOYKUHSKHN-GOSISDBHSA-N 0 3 340.467 3.288 20 10 EGCDHN C[C@H](c1ccccc1)[N@@H+](CCN1CCOCC1)Cc1ccccc1[O-] ZINC000757273785 1300662775 /nfs/dbraw/zinc/66/27/75/1300662775.db2.gz GBIDDOYKUHSKHN-GOSISDBHSA-N 0 3 340.467 3.288 20 10 EGCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC[C@@H](C)N2CCCCC2)c1 ZINC000757659129 1300705609 /nfs/dbraw/zinc/70/56/09/1300705609.db2.gz WSJRMIBAIGXYTP-HUUCEWRRSA-N 0 3 334.460 3.094 20 10 EGCDHN CCOc1ccc(CN(C)Cc2ncc(C)c(OC)c2C)c(O)c1 ZINC000757902580 1300755422 /nfs/dbraw/zinc/75/54/22/1300755422.db2.gz DKDJHOIUBXEJGB-UHFFFAOYSA-N 0 3 330.428 3.443 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+][C@H]2Cc3cccc(O)c3C2)c1[O-] ZINC000763481028 1301911653 /nfs/dbraw/zinc/91/16/53/1301911653.db2.gz PEULCIIAQWPWCK-AWEZNQCLSA-N 0 3 348.240 3.426 20 10 EGCDHN C[C@H](Cn1ccnc1)N[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000764889237 1302159628 /nfs/dbraw/zinc/15/96/28/1302159628.db2.gz KNAZBIOYJHXAMN-HUUCEWRRSA-N 0 3 348.878 3.112 20 10 EGCDHN CC[C@H](NCc1ccc(N(CC)CC)c(F)c1)[C@@H](O)C(F)(F)F ZINC000765788968 1302327608 /nfs/dbraw/zinc/32/76/08/1302327608.db2.gz RYLHIKGHYSLIGY-DZGCQCFKSA-N 0 3 336.373 3.463 20 10 EGCDHN C[C@H](NCc1ccc(N2CCN(C)CC2)cc1)c1ccncc1Cl ZINC000883291149 1302370345 /nfs/dbraw/zinc/37/03/45/1302370345.db2.gz UGIDPBQXHPJSMU-HNNXBMFYSA-N 0 3 344.890 3.338 20 10 EGCDHN CCOc1ccc(CN2CCN(c3ccccc3C)CC2)c(O)c1 ZINC000768190858 1302850921 /nfs/dbraw/zinc/85/09/21/1302850921.db2.gz CSITUFBTUZQYCU-UHFFFAOYSA-N 0 3 326.440 3.422 20 10 EGCDHN COc1ccc(N2CCC[N@H+](Cc3c([O-])cccc3OC)CC2)cc1 ZINC000768998972 1303029445 /nfs/dbraw/zinc/02/94/45/1303029445.db2.gz RHPOONKSYNYADK-UHFFFAOYSA-N 0 3 342.439 3.122 20 10 EGCDHN COc1ccc(N2CCC[N@@H+](Cc3c([O-])cccc3OC)CC2)cc1 ZINC000768998972 1303029451 /nfs/dbraw/zinc/02/94/51/1303029451.db2.gz RHPOONKSYNYADK-UHFFFAOYSA-N 0 3 342.439 3.122 20 10 EGCDHN CCN(CC)c1ccc(CN2CCSC[C@H]2CC(=O)OC)cc1 ZINC000769471523 1303119507 /nfs/dbraw/zinc/11/95/07/1303119507.db2.gz VCIOYFLERGQGIJ-QGZVFWFLSA-N 0 3 336.501 3.013 20 10 EGCDHN Cc1ccccc1CNC(=O)[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774478499 1303814809 /nfs/dbraw/zinc/81/48/09/1303814809.db2.gz FDTZZJSMPAAQLA-DLBZAZTESA-N 0 3 339.483 3.417 20 10 EGCDHN C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)NCc1cccs1 ZINC000774483239 1303816743 /nfs/dbraw/zinc/81/67/43/1303816743.db2.gz NGFAXWVVJYUAGO-ZIAGYGMSSA-N 0 3 331.485 3.170 20 10 EGCDHN CC[C@@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000774843571 1303866407 /nfs/dbraw/zinc/86/64/07/1303866407.db2.gz SWAGQUIVNSKXLK-LJQANCHMSA-N 0 3 325.456 3.110 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCC(=O)N(C(C)C)C2CCCC2)c1 ZINC000775362768 1303947308 /nfs/dbraw/zinc/94/73/08/1303947308.db2.gz IRSZKWQOSVTSJH-AWEZNQCLSA-N 0 3 334.460 3.231 20 10 EGCDHN Cc1cc([C@H]2CCCN2Cc2ccc(N3CCN(C)CC3)cc2)no1 ZINC000775651091 1304005285 /nfs/dbraw/zinc/00/52/85/1304005285.db2.gz XMNDEKBIHGGUMQ-HXUWFJFHSA-N 0 3 340.471 3.072 20 10 EGCDHN CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000776174367 1304107654 /nfs/dbraw/zinc/10/76/54/1304107654.db2.gz MWMSBKDDTKOJHA-ABAIWWIYSA-N 0 3 330.266 3.350 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](O)c2ccco2)c1[O-] ZINC000779004323 1304517025 /nfs/dbraw/zinc/51/70/25/1304517025.db2.gz UQZLUOZQYBYOHY-MFKMUULPSA-N 0 3 340.217 3.440 20 10 EGCDHN CCCCCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000779003707 1304517096 /nfs/dbraw/zinc/51/70/96/1304517096.db2.gz YSKMNFGZXKEEDU-HNNXBMFYSA-N 0 3 336.451 3.440 20 10 EGCDHN CCCCCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000779003707 1304517099 /nfs/dbraw/zinc/51/70/99/1304517099.db2.gz YSKMNFGZXKEEDU-HNNXBMFYSA-N 0 3 336.451 3.440 20 10 EGCDHN CCOc1ccc(C[NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)c([O-])c1 ZINC000780580919 1304712082 /nfs/dbraw/zinc/71/20/82/1304712082.db2.gz RAKAHPXZLREBRY-CZUORRHYSA-N 0 3 347.377 3.364 20 10 EGCDHN CCCc1[nH]ccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891250716 1305000869 /nfs/dbraw/zinc/00/08/69/1305000869.db2.gz ZHMHIRKBDGOGLF-IBGZPJMESA-N 0 3 342.487 3.066 20 10 EGCDHN CCN(CC)C(=O)CCC1CC[NH+](Cc2c([O-])cccc2OC)CC1 ZINC000783594539 1305113364 /nfs/dbraw/zinc/11/33/64/1305113364.db2.gz VBBPCGRDXRSVLU-UHFFFAOYSA-N 0 3 348.487 3.261 20 10 EGCDHN COc1cc(CN(C)Cc2ccc(OC)c(OC)c2O)cc(OC)c1 ZINC000891671077 1305130149 /nfs/dbraw/zinc/13/01/49/1305130149.db2.gz LXBZKZKOANMDSS-UHFFFAOYSA-N 0 3 347.411 3.059 20 10 EGCDHN C[C@@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC(C)(C)C1 ZINC000784352803 1305233604 /nfs/dbraw/zinc/23/36/04/1305233604.db2.gz QBCHTVRWGXUSIQ-INIZCTEOSA-N 0 3 331.504 3.079 20 10 EGCDHN COc1ccc(CN2CCC[C@H]2c2cccc(C)n2)c(O)c1OC ZINC000892051915 1305238334 /nfs/dbraw/zinc/23/83/34/1305238334.db2.gz BOHWRTDGFSOSOX-INIZCTEOSA-N 0 3 328.412 3.450 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)c1[O-] ZINC000785987224 1305487034 /nfs/dbraw/zinc/48/70/34/1305487034.db2.gz GQBVUPCUTZXUSC-NVBFEUDRSA-N 0 3 342.277 3.444 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)c1[O-] ZINC000785987224 1305487042 /nfs/dbraw/zinc/48/70/42/1305487042.db2.gz GQBVUPCUTZXUSC-NVBFEUDRSA-N 0 3 342.277 3.444 20 10 EGCDHN Cc1cc(F)ncc1CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000892732412 1305527486 /nfs/dbraw/zinc/52/74/86/1305527486.db2.gz ZTMZROAYKYNESY-HNNXBMFYSA-N 0 3 329.419 3.217 20 10 EGCDHN CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCCN2C2CC2)cc1 ZINC000786763952 1305626761 /nfs/dbraw/zinc/62/67/61/1305626761.db2.gz BJWBSSGKULOLQR-IBGZPJMESA-N 0 3 329.488 3.118 20 10 EGCDHN COc1cc([C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)ccn1 ZINC000788564148 1305972691 /nfs/dbraw/zinc/97/26/91/1305972691.db2.gz PXBFYJYPDYRAIJ-JKSUJKDBSA-N 0 3 341.455 3.339 20 10 EGCDHN COc1cc(C)cc(CN2CCC[C@@H](OCC(F)(F)F)C2)c1O ZINC000893962621 1306149909 /nfs/dbraw/zinc/14/99/09/1306149909.db2.gz PBTFRMNKRXIMFM-CYBMUJFWSA-N 0 3 333.350 3.253 20 10 EGCDHN CN(C)c1ccc(CN2CCC[C@H](CCO)C2)c(C(F)(F)F)c1 ZINC000792813696 1309235786 /nfs/dbraw/zinc/23/57/86/1309235786.db2.gz VHBCLQGVLQSJER-CYBMUJFWSA-N 0 3 330.394 3.366 20 10 EGCDHN COc1ccc(C[NH2+]Cc2ccnn2-c2ccc(F)cc2)c([O-])c1 ZINC000793390898 1309361767 /nfs/dbraw/zinc/36/17/67/1309361767.db2.gz UKSINDBSTDCXGI-UHFFFAOYSA-N 0 3 327.359 3.015 20 10 EGCDHN CCOCc1cc(C[NH2+]Cc2ccc(OC)cc2[O-])ccc1OC ZINC000793387298 1309362171 /nfs/dbraw/zinc/36/21/71/1309362171.db2.gz CGNABGYYOFOKNG-UHFFFAOYSA-N 0 3 331.412 3.236 20 10 EGCDHN COc1cc(O)c(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000896512904 1309894908 /nfs/dbraw/zinc/89/49/08/1309894908.db2.gz WPJCONNJELAAFQ-LLVKDONJSA-N 0 3 332.356 3.168 20 10 EGCDHN CC(C)(C)OC(=O)NCC[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000896984828 1310119991 /nfs/dbraw/zinc/11/99/91/1310119991.db2.gz NKBSEUAYPANYCJ-CYBMUJFWSA-N 0 3 338.423 3.268 20 10 EGCDHN CC(C)(C)OC(=O)NCC[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000896984828 1310120000 /nfs/dbraw/zinc/12/00/00/1310120000.db2.gz NKBSEUAYPANYCJ-CYBMUJFWSA-N 0 3 338.423 3.268 20 10 EGCDHN C[C@H]1C[C@H]([NH2+]CC2(S(C)(=O)=O)CCCC2)c2c1c(F)ccc2[O-] ZINC000797102506 1310141025 /nfs/dbraw/zinc/14/10/25/1310141025.db2.gz PGCZTQITTVGSFK-AAEUAGOBSA-N 0 3 341.448 3.027 20 10 EGCDHN CC(C)OC[C@@H](C)[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000800239000 1310709112 /nfs/dbraw/zinc/70/91/12/1310709112.db2.gz CKUKJWQAVMMNMN-PBHICJAKSA-N 0 3 340.895 3.413 20 10 EGCDHN COc1c([O-])c(CNc2ccc(C[NH+](C)C)c(C)c2)ccc1[N+](=O)[O-] ZINC000839188186 1320889963 /nfs/dbraw/zinc/88/99/63/1320889963.db2.gz COKOJDKIACBJIO-UHFFFAOYSA-N 0 3 345.399 3.291 20 10 EGCDHN C[C@@H](c1ccccc1)[C@H](CO)NCc1cc(F)c(N(C)C)cc1F ZINC000858139422 1328693790 /nfs/dbraw/zinc/69/37/90/1328693790.db2.gz UHCIRDFHTDQFAS-UGSOOPFHSA-N 0 3 334.410 3.285 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](CO)C(C)C)c1[O-] ZINC000806169173 1317468325 /nfs/dbraw/zinc/46/83/25/1317468325.db2.gz IQFVAYKLNMYFIZ-NEPJUHHUSA-N 0 3 330.266 3.378 20 10 EGCDHN CN(C)c1ccc([C@@H](CN[C@@H]2CCCc3scnc32)N(C)C)cc1 ZINC000903448405 1317701881 /nfs/dbraw/zinc/70/18/81/1317701881.db2.gz OOMZQJQDBQPSQT-IAGOWNOFSA-N 0 3 344.528 3.479 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](CO)C[C@H](O)c2ccccc2)c1[O-] ZINC000808707888 1317719742 /nfs/dbraw/zinc/71/97/42/1317719742.db2.gz BRDNKIZXNNUQGP-OWQGQXMQSA-N 0 3 349.858 3.489 20 10 EGCDHN CC[C@H]([NH2+][C@@H]1CCC[C@H]2CN(C(C)=O)C[C@@H]21)c1ccc(C)cc1[O-] ZINC000808722194 1317722988 /nfs/dbraw/zinc/72/29/88/1317722988.db2.gz AIFIGAWDZYEPBK-DSLXNQLJSA-N 0 3 330.472 3.388 20 10 EGCDHN CCOc1ccc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c([O-])c1 ZINC000809705502 1317869843 /nfs/dbraw/zinc/86/98/43/1317869843.db2.gz UVELHPNFVSVKON-HNNXBMFYSA-N 0 3 333.350 3.070 20 10 EGCDHN CCOc1ccc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c([O-])c1 ZINC000809705502 1317869849 /nfs/dbraw/zinc/86/98/49/1317869849.db2.gz UVELHPNFVSVKON-HNNXBMFYSA-N 0 3 333.350 3.070 20 10 EGCDHN CCOCc1cc(CNCc2cccc(C(=O)OC)c2)ccc1OC ZINC000809729662 1317881276 /nfs/dbraw/zinc/88/12/76/1317881276.db2.gz NROXUEREZYVZFY-UHFFFAOYSA-N 0 3 343.423 3.308 20 10 EGCDHN CCN(CC)c1ccc(CN2CCCN(CC(F)F)CC2)cc1 ZINC000809756100 1317891326 /nfs/dbraw/zinc/89/13/26/1317891326.db2.gz DCNZDNWNGWPTCA-UHFFFAOYSA-N 0 3 325.447 3.306 20 10 EGCDHN CNC(=O)OC[C@H]1CCCCN1Cc1ccc(N2CCCCC2)cc1 ZINC000809779696 1317899105 /nfs/dbraw/zinc/89/91/05/1317899105.db2.gz WKMJCYNSKMVHLT-LJQANCHMSA-N 0 3 345.487 3.387 20 10 EGCDHN CC[C@@H]([NH2+]CCc1nc(C)n[nH]1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810236063 1317983131 /nfs/dbraw/zinc/98/31/31/1317983131.db2.gz YBHLJKRHAYTAKM-GFCCVEGCSA-N 0 3 328.338 3.121 20 10 EGCDHN CC[C@@H](CN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl)OC ZINC000810260392 1317989449 /nfs/dbraw/zinc/98/94/49/1317989449.db2.gz KEZYTPWTIBYVBF-ZFWWWQNUSA-N 0 3 326.868 3.252 20 10 EGCDHN CCOc1ccc(O)c(CN2CCCC[C@H]2COC(=O)NC2CC2)c1 ZINC000811511879 1318190436 /nfs/dbraw/zinc/19/04/36/1318190436.db2.gz WWIICHQOPBNCQW-INIZCTEOSA-N 0 3 348.443 3.034 20 10 EGCDHN CCOc1ccc(C[N@@H+]2CCCC[C@H]2COC(=O)NC2CC2)c([O-])c1 ZINC000811511187 1318190895 /nfs/dbraw/zinc/19/08/95/1318190895.db2.gz DZQAKPJCLRLWMA-INIZCTEOSA-N 0 3 348.443 3.034 20 10 EGCDHN CCOc1ccc(C[N@H+]2CCCC[C@H]2COC(=O)NC2CC2)c([O-])c1 ZINC000811511187 1318190901 /nfs/dbraw/zinc/19/09/01/1318190901.db2.gz DZQAKPJCLRLWMA-INIZCTEOSA-N 0 3 348.443 3.034 20 10 EGCDHN CCN1CCN(c2cccc(NC(=O)c3cc(O)ccc3C)c2)CC1 ZINC000907453197 1318227440 /nfs/dbraw/zinc/22/74/40/1318227440.db2.gz VIAJSFHPBQHYJW-UHFFFAOYSA-N 0 3 339.439 3.095 20 10 EGCDHN Cc1cc(CN[C@@H](CC(=O)N(C)C)c2ccccc2)ccc1N(C)C ZINC000815082320 1318885227 /nfs/dbraw/zinc/88/52/27/1318885227.db2.gz KTLVWKKCTQCXRY-IBGZPJMESA-N 0 3 339.483 3.370 20 10 EGCDHN CCNC(=O)OC[C@@H]1CCCCN1Cc1ccc(N(C)C)c(C)c1 ZINC000815116331 1318897848 /nfs/dbraw/zinc/89/78/48/1318897848.db2.gz JIMIIKMTKLSMIE-KRWDZBQOSA-N 0 3 333.476 3.162 20 10 EGCDHN Cc1cc(CN2CCCC[C@@H]2COC(=O)N(C)C)ccc1N(C)C ZINC000815117627 1318898421 /nfs/dbraw/zinc/89/84/21/1318898421.db2.gz SEIBWWMDIKRXTO-QGZVFWFLSA-N 0 3 333.476 3.114 20 10 EGCDHN CON1CCC([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000817419337 1319356490 /nfs/dbraw/zinc/35/64/90/1319356490.db2.gz UEMRODVBXYOLEV-UHFFFAOYSA-N 0 3 342.439 3.087 20 10 EGCDHN C[C@@H]([NH2+]C1CCNCC1)c1cc(Br)cc(Cl)c1[O-] ZINC000817936038 1319464585 /nfs/dbraw/zinc/46/45/85/1319464585.db2.gz MHIPYJQNOFOJKU-MRVPVSSYSA-N 0 3 333.657 3.211 20 10 EGCDHN CO[C@H]1COCC[C@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000824708006 1320279339 /nfs/dbraw/zinc/27/93/39/1320279339.db2.gz CGICYFZLXWVXDP-PXNSSMCTSA-N 0 3 327.424 3.200 20 10 EGCDHN CC(C)n1cc(C2=CCC[N@H+](Cc3cc(F)ccc3[O-])CC2)nn1 ZINC000824739014 1320281751 /nfs/dbraw/zinc/28/17/51/1320281751.db2.gz VBHYDMDVQSJCNB-UHFFFAOYSA-N 0 3 330.407 3.383 20 10 EGCDHN CC(C)n1cc(C2=CCC[N@@H+](Cc3cc(F)ccc3[O-])CC2)nn1 ZINC000824739014 1320281756 /nfs/dbraw/zinc/28/17/56/1320281756.db2.gz VBHYDMDVQSJCNB-UHFFFAOYSA-N 0 3 330.407 3.383 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCC(=O)N2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC000839539394 1320934710 /nfs/dbraw/zinc/93/47/10/1320934710.db2.gz MLMZZUXVFVOEHW-MPGHIAIKSA-N 0 3 346.471 3.233 20 10 EGCDHN COc1ccc([C@H](CO)C[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)cc1 ZINC000840808763 1321153705 /nfs/dbraw/zinc/15/37/05/1321153705.db2.gz LPLHMQLAYAKPMC-RVSPLBMKSA-N 0 3 345.414 3.454 20 10 EGCDHN Cc1cc(N(C)C)ccc1CNCC(=O)N1CCCc2ccccc21 ZINC000840931994 1321179475 /nfs/dbraw/zinc/17/94/75/1321179475.db2.gz BBYWVPJUJUOQIZ-UHFFFAOYSA-N 0 3 337.467 3.130 20 10 EGCDHN CCOc1ccc(NC(=O)CNCc2ccc(N(C)C)cc2C)cc1 ZINC000840937990 1321181212 /nfs/dbraw/zinc/18/12/12/1321181212.db2.gz YRILLJCDCJSHMA-UHFFFAOYSA-N 0 3 341.455 3.188 20 10 EGCDHN CC[C@@H]([NH2+]Cc1cc(Br)cc(OC)c1[O-])[C@H](O)C(C)C ZINC000840968316 1321189768 /nfs/dbraw/zinc/18/97/68/1321189768.db2.gz WWUQTTOEWVTWLK-TZMCWYRMSA-N 0 3 346.265 3.048 20 10 EGCDHN Cc1cc(N(C)C)ccc1C[C@@H](C)NCc1cn(C(C)(C)C)nn1 ZINC000840975177 1321192173 /nfs/dbraw/zinc/19/21/73/1321192173.db2.gz DLIFMHZPODTDFL-OAHLLOKOSA-N 0 3 329.492 3.128 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@@H](CO)[C@@H]2C)c1[O-] ZINC000840978986 1321193663 /nfs/dbraw/zinc/19/36/63/1321193663.db2.gz QTCCCVLOASRXIO-RYUDHWBXSA-N 0 3 328.250 3.056 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H](CO)[C@@H]2C)c1[O-] ZINC000840978986 1321193665 /nfs/dbraw/zinc/19/36/65/1321193665.db2.gz QTCCCVLOASRXIO-RYUDHWBXSA-N 0 3 328.250 3.056 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]CC[C@@H]2COc3ccccc3O2)c1[O-] ZINC000841888044 1321326432 /nfs/dbraw/zinc/32/64/32/1321326432.db2.gz CUHZZAQWTBGSPE-CQSZACIVSA-N 0 3 349.814 3.374 20 10 EGCDHN CC[C@H](NCc1ccc(N(C)C)c(F)c1)C(=O)NCc1cccs1 ZINC000842746773 1321427082 /nfs/dbraw/zinc/42/70/82/1321427082.db2.gz DXFLIVLKOPZYNI-INIZCTEOSA-N 0 3 349.475 3.138 20 10 EGCDHN CC[C@H](NCc1ccc(OC)c(C)c1)C(=O)NCc1cccs1 ZINC000842750514 1321427352 /nfs/dbraw/zinc/42/73/52/1321427352.db2.gz ROFIRIUXZREBKM-INIZCTEOSA-N 0 3 332.469 3.250 20 10 EGCDHN C[C@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1[O-])NC(=O)OC(C)(C)C ZINC000843415527 1321514586 /nfs/dbraw/zinc/51/45/86/1321514586.db2.gz CHHFZYCRAMVBRQ-NWDGAFQWSA-N 0 3 326.412 3.313 20 10 EGCDHN CC[C@@H](NCc1cc(=O)n2ccccc2n1)c1ccc(N(C)C)cc1 ZINC000846215260 1321776773 /nfs/dbraw/zinc/77/67/73/1321776773.db2.gz WRVQRINLDXPWJX-GOSISDBHSA-N 0 3 336.439 3.001 20 10 EGCDHN Cc1cc(CN2CCN(c3ncc[nH]3)CC2)ccc1N1CCCCC1 ZINC000846876439 1321819692 /nfs/dbraw/zinc/81/96/92/1321819692.db2.gz SCVUBEGSXDPSTG-UHFFFAOYSA-N 0 3 339.487 3.031 20 10 EGCDHN CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2cccc(CC)c2[O-])CC1 ZINC000848903627 1322040170 /nfs/dbraw/zinc/04/01/70/1322040170.db2.gz BSMZBEPNNQTUEW-AWEZNQCLSA-N 0 3 334.460 3.301 20 10 EGCDHN COc1cc(CN[C@H](C)C(=O)NC(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000850093994 1322192442 /nfs/dbraw/zinc/19/24/42/1322192442.db2.gz NPGPGURXSINPAA-GFCCVEGCSA-N 0 3 336.476 3.091 20 10 EGCDHN C[S@@](=O)Cc1ccc(CNCc2ccc3c(c2)CCCO3)cc1 ZINC000922125800 1322460565 /nfs/dbraw/zinc/46/05/65/1322460565.db2.gz MZGRURDSOILCBV-HSZRJFAPSA-N 0 3 329.465 3.180 20 10 EGCDHN COc1cccc(CN[C@@H](CO)c2ccccc2C(F)(F)F)c1O ZINC000922984462 1322668730 /nfs/dbraw/zinc/66/87/30/1322668730.db2.gz JPNJLPYCWRSSJS-AWEZNQCLSA-N 0 3 341.329 3.243 20 10 EGCDHN CCN(CC)c1ccc(CN(C)C(=O)C2(N)CC3(CCC3)C2)cc1 ZINC000852856828 1323247824 /nfs/dbraw/zinc/24/78/24/1323247824.db2.gz GUMPXYZJJJJCTH-UHFFFAOYSA-N 0 3 329.488 3.153 20 10 EGCDHN CCOc1ccc(CN2Cc3ccccc3[C@H](C(=O)OC)C2)c(O)c1 ZINC000862536926 1329493922 /nfs/dbraw/zinc/49/39/22/1329493922.db2.gz OKHOHGWTMKSQQX-GOSISDBHSA-N 0 3 341.407 3.063 20 10 EGCDHN CN(C)c1ccc(CNCc2cc3c([nH]c2=O)CCCC3)cc1F ZINC000865879131 1329748384 /nfs/dbraw/zinc/74/83/84/1329748384.db2.gz JDJAABHRYLJVHU-UHFFFAOYSA-N 0 3 329.419 3.161 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CCCC[C@](C)(O)C2)c1[O-] ZINC001233106753 1376570853 /nfs/dbraw/zinc/57/08/53/1376570853.db2.gz MPMMMXQKPKFKIE-HNNXBMFYSA-N 0 3 328.250 3.200 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CCCC[C@](C)(O)C2)c1[O-] ZINC001233106753 1376570859 /nfs/dbraw/zinc/57/08/59/1376570859.db2.gz MPMMMXQKPKFKIE-HNNXBMFYSA-N 0 3 328.250 3.200 20 10 EGCDHN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@@H](C(C)C)N(C)C ZINC001183366204 1387303648 /nfs/dbraw/zinc/30/36/48/1387303648.db2.gz PBBLTIIBEKKBQP-AEFFLSMTSA-N 0 3 332.488 3.335 20 10 EGCDHN COc1cc(C(=O)NCCP(C(C)C)C(C)C)cc(O)c1O ZINC001193118933 1367948774 /nfs/dbraw/zinc/94/87/74/1367948774.db2.gz DLRLQSHRWGMFOZ-UHFFFAOYSA-N 0 3 327.361 3.135 20 10 EGCDHN CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1O ZINC001203551968 1370166792 /nfs/dbraw/zinc/16/67/92/1370166792.db2.gz VJBIYUNYKGVVIG-INIZCTEOSA-N 0 3 334.460 3.470 20 10 EGCDHN O=C1N(CC2CC2)c2ccccc2[C@@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001203556684 1370168261 /nfs/dbraw/zinc/16/82/61/1370168261.db2.gz TUCBDSIALIORIR-QFIPXVFZSA-N 0 3 348.446 3.293 20 10 EGCDHN O=C1N(CC2CC2)c2ccccc2[C@@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001203556684 1370168263 /nfs/dbraw/zinc/16/82/63/1370168263.db2.gz TUCBDSIALIORIR-QFIPXVFZSA-N 0 3 348.446 3.293 20 10 EGCDHN COc1ccc(CN2CC[C@@H](Oc3cc(F)ccc3F)C2)c(O)c1 ZINC001203631041 1370193964 /nfs/dbraw/zinc/19/39/64/1370193964.db2.gz YNCDUFDOXJJNLK-OAHLLOKOSA-N 0 3 335.350 3.332 20 10 EGCDHN COc1ccc(C[N@@H+]2CC[C@@H](Oc3cc(F)ccc3F)C2)c([O-])c1 ZINC001203631041 1370193969 /nfs/dbraw/zinc/19/39/69/1370193969.db2.gz YNCDUFDOXJJNLK-OAHLLOKOSA-N 0 3 335.350 3.332 20 10 EGCDHN COc1ccc(C[N@H+]2CC[C@@H](Oc3cc(F)ccc3F)C2)c([O-])c1 ZINC001203631041 1370193970 /nfs/dbraw/zinc/19/39/70/1370193970.db2.gz YNCDUFDOXJJNLK-OAHLLOKOSA-N 0 3 335.350 3.332 20 10 EGCDHN COc1ccc(O)c(CN(CCOC(C)C)CCOC(C)C)c1 ZINC001203675067 1370212188 /nfs/dbraw/zinc/21/21/88/1370212188.db2.gz KGWJFLXPMQZAHN-UHFFFAOYSA-N 0 3 325.449 3.053 20 10 EGCDHN COc1ccc(O)c(CN(C)Cc2cc(OC)c(OC)c(OC)c2)c1 ZINC001203678618 1370214813 /nfs/dbraw/zinc/21/48/13/1370214813.db2.gz OQFYXYYQIBNHCZ-UHFFFAOYSA-N 0 3 347.411 3.059 20 10 EGCDHN COc1ccc(O)c(CN2CCC(Oc3cccc(Cl)n3)CC2)c1 ZINC001203680440 1370216385 /nfs/dbraw/zinc/21/63/85/1370216385.db2.gz XNHPIXSFXFQSDG-UHFFFAOYSA-N 0 3 348.830 3.493 20 10 EGCDHN COc1ccc([C@H]2CCN(Cc3cc(O)c(O)c(OC)c3)C2)cc1 ZINC001204349133 1370450400 /nfs/dbraw/zinc/45/04/00/1370450400.db2.gz PZEKIGWVBPXMLS-HNNXBMFYSA-N 0 3 329.396 3.105 20 10 EGCDHN COC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC001116752218 1370966599 /nfs/dbraw/zinc/96/65/99/1370966599.db2.gz DONZMOWNPPLPJS-QZTJIDSGSA-N 0 3 325.408 3.491 20 10 EGCDHN CCOc1ccc(N2CCN(CCCC3CCOCC3)CC2)cc1 ZINC001116847463 1370985973 /nfs/dbraw/zinc/98/59/73/1370985973.db2.gz IJNSHWRWZSUUGK-UHFFFAOYSA-N 0 3 332.488 3.414 20 10 EGCDHN COc1ccc(CNCc2cccc(Cl)c2F)c(O)c1OC ZINC001119948152 1371430052 /nfs/dbraw/zinc/43/00/52/1371430052.db2.gz DXFJILMXTFDXPH-UHFFFAOYSA-N 0 3 325.767 3.492 20 10 EGCDHN CCN(Cc1ccc(N(C)C)cc1)Cc1cc2c(cn1)OCCC2 ZINC001209505521 1372123017 /nfs/dbraw/zinc/12/30/17/1372123017.db2.gz DDIFZMZMGCYFBH-UHFFFAOYSA-N 0 3 325.456 3.495 20 10 EGCDHN COC(=O)C1CCN(Cc2ccc(-n3c(C)ccc3C)cc2)CC1 ZINC001209517159 1372127054 /nfs/dbraw/zinc/12/70/54/1372127054.db2.gz ZODVWVTZVGDMEF-UHFFFAOYSA-N 0 3 326.440 3.479 20 10 EGCDHN Cc1cc(N2CCN(C)CC2)ccc1Nc1ccc2c(c1)OCCN2 ZINC001209766695 1372189337 /nfs/dbraw/zinc/18/93/37/1372189337.db2.gz TUQIKGRWMZNHTF-UHFFFAOYSA-N 0 3 338.455 3.295 20 10 EGCDHN C[C@@H]1CO[C@@H]2C[N@H+](Cc3ccc(OCc4ccccc4)cc3[O-])C[C@H]12 ZINC001231470370 1376248122 /nfs/dbraw/zinc/24/81/22/1376248122.db2.gz WAXMQGNCZFPJIA-QFIXIFRTSA-N 0 3 339.435 3.438 20 10 EGCDHN C[C@@H]1CO[C@@H]2C[N@@H+](Cc3ccc(OCc4ccccc4)cc3[O-])C[C@H]12 ZINC001231470370 1376248127 /nfs/dbraw/zinc/24/81/27/1376248127.db2.gz WAXMQGNCZFPJIA-QFIXIFRTSA-N 0 3 339.435 3.438 20 10 EGCDHN C[C@@]1(CO)CCC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC1 ZINC001233727663 1376703692 /nfs/dbraw/zinc/70/36/92/1376703692.db2.gz NVLYEQVFWVJXOE-OAHLLOKOSA-N 0 3 333.350 3.275 20 10 EGCDHN C[C@@]1(CO)CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC1 ZINC001233727663 1376703701 /nfs/dbraw/zinc/70/37/01/1376703701.db2.gz NVLYEQVFWVJXOE-OAHLLOKOSA-N 0 3 333.350 3.275 20 10 EGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@@]2(C1)CCCCO2 ZINC001237053705 1376971565 /nfs/dbraw/zinc/97/15/65/1376971565.db2.gz OJPYESIIQBAKSE-MRXNPFEDSA-N 0 3 345.361 3.478 20 10 EGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CC[C@@]2(C1)CCCCO2 ZINC001237053705 1376971568 /nfs/dbraw/zinc/97/15/68/1376971568.db2.gz OJPYESIIQBAKSE-MRXNPFEDSA-N 0 3 345.361 3.478 20 10 EGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001237051257 1376972316 /nfs/dbraw/zinc/97/23/16/1376972316.db2.gz JCWADYCPEICHFB-BBRMVZONSA-N 0 3 345.361 3.334 20 10 EGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001237051257 1376972319 /nfs/dbraw/zinc/97/23/19/1376972319.db2.gz JCWADYCPEICHFB-BBRMVZONSA-N 0 3 345.361 3.334 20 10 EGCDHN Cc1cc(CN2CCC[C@@]3(CNC(=O)O3)C2)c(C)n1-c1ccccc1 ZINC001137859418 1377632699 /nfs/dbraw/zinc/63/26/99/1377632699.db2.gz XLSQDLMEVFZYJN-HXUWFJFHSA-N 0 3 339.439 3.169 20 10 EGCDHN [O-]c1c(F)cccc1C[N@@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001138130661 1377682691 /nfs/dbraw/zinc/68/26/91/1377682691.db2.gz FPIRHDWLQGEEDU-VQIMIIECSA-N 0 3 326.415 3.238 20 10 EGCDHN [O-]c1c(F)cccc1C[N@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001138130661 1377682693 /nfs/dbraw/zinc/68/26/93/1377682693.db2.gz FPIRHDWLQGEEDU-VQIMIIECSA-N 0 3 326.415 3.238 20 10 EGCDHN [O-]c1c(F)cccc1CN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001138130661 1377682695 /nfs/dbraw/zinc/68/26/95/1377682695.db2.gz FPIRHDWLQGEEDU-VQIMIIECSA-N 0 3 326.415 3.238 20 10 EGCDHN [O-]c1c(F)cccc1CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001138130661 1377682697 /nfs/dbraw/zinc/68/26/97/1377682697.db2.gz FPIRHDWLQGEEDU-VQIMIIECSA-N 0 3 326.415 3.238 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC[C@](C)(C(=O)OC)C2)c(OC)c1 ZINC001138390467 1377714358 /nfs/dbraw/zinc/71/43/58/1377714358.db2.gz YDBJGPHGUURRBI-FQEVSTJZSA-N 0 3 348.487 3.317 20 10 EGCDHN COC(=O)c1ccc(C2CN(Cc3ccc(N(C)C)c(C)c3)C2)cc1 ZINC001139673413 1377931847 /nfs/dbraw/zinc/93/18/47/1377931847.db2.gz GLYUXTCRNOYSKP-UHFFFAOYSA-N 0 3 338.451 3.447 20 10 EGCDHN O=C1C[C@@]2(CC[N@@H+](Cc3cc(F)ccc3[O-])C2)CN1c1ccsc1 ZINC001140053708 1377996578 /nfs/dbraw/zinc/99/65/78/1377996578.db2.gz AKDXTSMGMLOXMN-GOSISDBHSA-N 0 3 346.427 3.222 20 10 EGCDHN O=C1C[C@@]2(CC[N@H+](Cc3cc(F)ccc3[O-])C2)CN1c1ccsc1 ZINC001140053708 1377996581 /nfs/dbraw/zinc/99/65/81/1377996581.db2.gz AKDXTSMGMLOXMN-GOSISDBHSA-N 0 3 346.427 3.222 20 10 EGCDHN CCOC[C@@H]1CN(Cc2c(C)ccc(C)c2O)Cc2cnn(CC)c21 ZINC001140180223 1378026705 /nfs/dbraw/zinc/02/67/05/1378026705.db2.gz LIHJVJIFDRUKOA-KRWDZBQOSA-N 0 3 343.471 3.361 20 10 EGCDHN O=C1N(CC2CCCC2)CC[C@]12CC[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001273284440 1378094598 /nfs/dbraw/zinc/09/45/98/1378094598.db2.gz IPAPEPZGBJQMAH-FQEVSTJZSA-N 0 3 346.446 3.146 20 10 EGCDHN O=C1N(CC2CCCC2)CC[C@]12CC[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001273284440 1378094601 /nfs/dbraw/zinc/09/46/01/1378094601.db2.gz IPAPEPZGBJQMAH-FQEVSTJZSA-N 0 3 346.446 3.146 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC[C@@H]2c2cnccn2)c(O)c1 ZINC001140854864 1378158272 /nfs/dbraw/zinc/15/82/72/1378158272.db2.gz DXJGEPVKYGYRKC-GOSISDBHSA-N 0 3 326.444 3.366 20 10 EGCDHN Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCN3Cc3nccs3)C2)c([O-])c1 ZINC001140950564 1378189691 /nfs/dbraw/zinc/18/96/91/1378189691.db2.gz YTFOCYHKJNCOOE-RDJZCZTQSA-N 0 3 343.496 3.254 20 10 EGCDHN Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCN3Cc3nccs3)C2)c([O-])c1 ZINC001140950564 1378189693 /nfs/dbraw/zinc/18/96/93/1378189693.db2.gz YTFOCYHKJNCOOE-RDJZCZTQSA-N 0 3 343.496 3.254 20 10 EGCDHN Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c([O-])c1 ZINC001140954319 1378191251 /nfs/dbraw/zinc/19/12/51/1378191251.db2.gz QBKMGUGCHYNEKE-UAGQMJEPSA-N 0 3 346.471 3.436 20 10 EGCDHN Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c([O-])c1 ZINC001140954319 1378191256 /nfs/dbraw/zinc/19/12/56/1378191256.db2.gz QBKMGUGCHYNEKE-UAGQMJEPSA-N 0 3 346.471 3.436 20 10 EGCDHN Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c([O-])c1 ZINC001140954320 1378192179 /nfs/dbraw/zinc/19/21/79/1378192179.db2.gz QBKMGUGCHYNEKE-USXIJHARSA-N 0 3 346.471 3.436 20 10 EGCDHN Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c([O-])c1 ZINC001140954320 1378192182 /nfs/dbraw/zinc/19/21/82/1378192182.db2.gz QBKMGUGCHYNEKE-USXIJHARSA-N 0 3 346.471 3.436 20 10 EGCDHN COc1cccc(CC[N@H+](C)Cc2c([O-])cc(OC)cc2OC)c1 ZINC001141028659 1378213198 /nfs/dbraw/zinc/21/31/98/1378213198.db2.gz YYNNJFYTIZNNQF-UHFFFAOYSA-N 0 3 331.412 3.093 20 10 EGCDHN COc1cccc(CC[N@@H+](C)Cc2c([O-])cc(OC)cc2OC)c1 ZINC001141028659 1378213202 /nfs/dbraw/zinc/21/32/02/1378213202.db2.gz YYNNJFYTIZNNQF-UHFFFAOYSA-N 0 3 331.412 3.093 20 10 EGCDHN COc1cc([O-])c(C[N@H+](C)CC/C=C/c2cccnc2)c(OC)c1 ZINC001141031002 1378214926 /nfs/dbraw/zinc/21/49/26/1378214926.db2.gz VEPGRWLTGCSSLV-QPJJXVBHSA-N 0 3 328.412 3.340 20 10 EGCDHN COc1cc([O-])c(C[N@@H+](C)CC/C=C/c2cccnc2)c(OC)c1 ZINC001141031002 1378214936 /nfs/dbraw/zinc/21/49/36/1378214936.db2.gz VEPGRWLTGCSSLV-QPJJXVBHSA-N 0 3 328.412 3.340 20 10 EGCDHN Oc1ccc(O)c(CN2CCC(Oc3ccc(F)cc3F)CC2)c1 ZINC001141158469 1378252635 /nfs/dbraw/zinc/25/26/35/1378252635.db2.gz ANGSCCSIWRYOCL-UHFFFAOYSA-N 0 3 335.350 3.419 20 10 EGCDHN CC(C)NC(=O)N[C@H]1CCCN(Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143117160 1378543054 /nfs/dbraw/zinc/54/30/54/1378543054.db2.gz VTWFPCPIWMHROA-INIZCTEOSA-N 0 3 347.503 3.362 20 10 EGCDHN CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(Br)cc1[O-])C2 ZINC001172113377 1384731427 /nfs/dbraw/zinc/73/14/27/1384731427.db2.gz GPZIMKDSAAELFD-QKDCVEJESA-N 0 3 339.277 3.260 20 10 EGCDHN COC(=O)c1ccc(C[C@H](C)[N@@H+]2CCc3cccc([O-])c3C2)cc1 ZINC001173727871 1385010626 /nfs/dbraw/zinc/01/06/26/1385010626.db2.gz HFOOMMLXBCNMIV-AWEZNQCLSA-N 0 3 325.408 3.168 20 10 EGCDHN COC(=O)c1ccc(C[C@H](C)[N@H+]2CCc3cccc([O-])c3C2)cc1 ZINC001173727871 1385010630 /nfs/dbraw/zinc/01/06/30/1385010630.db2.gz HFOOMMLXBCNMIV-AWEZNQCLSA-N 0 3 325.408 3.168 20 10 EGCDHN CC(C)[C@H](NCc1ccc(N2CCCC2)cc1)[C@H](O)C(F)(F)F ZINC001329722926 1389209826 /nfs/dbraw/zinc/20/98/26/1389209826.db2.gz JIYPJUNTTRQKEE-HOTGVXAUSA-N 0 3 330.394 3.324 20 10 EGCDHN CCOc1ccc(CN(C)Cc2cc(OC)ccc2O)cc1OC ZINC001337238178 1389282936 /nfs/dbraw/zinc/28/29/36/1389282936.db2.gz JDVXNBKOMDHTGE-UHFFFAOYSA-N 0 3 331.412 3.440 20 10 EGCDHN COCc1csc(CN(C)CCN(C)c2ccc(OC)cc2)c1 ZINC001350627533 1391493999 /nfs/dbraw/zinc/49/39/99/1391493999.db2.gz WKNXXJITJLNEQG-UHFFFAOYSA-N 0 3 334.485 3.471 20 10 EGCDHN COc1ccc(CNC/C=C/CNC(=O)Cc2ccccc2)cc1C ZINC001754138748 1440544036 /nfs/dbraw/zinc/54/40/36/1440544036.db2.gz KONWNQWNFZDMLU-VOTSOKGWSA-N 0 3 338.451 3.008 20 10 EGCDHN CCCN(CC(=O)N1CCc2sccc2C1)Cc1ccccc1O ZINC000068973680 454070244 /nfs/dbraw/zinc/07/02/44/454070244.db2.gz FZCQECMYMQERPI-UHFFFAOYSA-N 0 3 344.480 3.251 20 10 EGCDHN CC[C@@H](NCc1ccc(NC(N)=O)cc1)c1ccc(N(C)C)cc1 ZINC000130931400 454226807 /nfs/dbraw/zinc/22/68/07/454226807.db2.gz XQCCQYHNTXJVLL-GOSISDBHSA-N 0 3 326.444 3.484 20 10 EGCDHN COCc1ccc(CN(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000121303332 454417880 /nfs/dbraw/zinc/41/78/80/454417880.db2.gz PLJDVRHHERREDI-UHFFFAOYSA-N 0 3 340.467 3.302 20 10 EGCDHN COc1cc(C[N@H+](C)Cc2ccccc2[O-])ccc1OC(=O)C1CC1 ZINC000091956748 454494594 /nfs/dbraw/zinc/49/45/94/454494594.db2.gz DSNHOCZDFSDXPM-UHFFFAOYSA-N 0 3 341.407 3.348 20 10 EGCDHN COc1cc(C[N@@H+](C)Cc2ccccc2[O-])ccc1OC(=O)C1CC1 ZINC000091956748 454494599 /nfs/dbraw/zinc/49/45/99/454494599.db2.gz DSNHOCZDFSDXPM-UHFFFAOYSA-N 0 3 341.407 3.348 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](c2cccc(F)c2)N(C)C)c1 ZINC000184834998 455456586 /nfs/dbraw/zinc/45/65/86/455456586.db2.gz OSDZXUGVILEPCU-ACJLOTCBSA-N 0 3 332.419 3.493 20 10 EGCDHN CCN(Cc1ccccc1)c1ccc(CNCCn2cncn2)cc1 ZINC000065934405 454641017 /nfs/dbraw/zinc/64/10/17/454641017.db2.gz LIXBAWVVTLZTML-UHFFFAOYSA-N 0 3 335.455 3.094 20 10 EGCDHN CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cc(C)ccc1[O-] ZINC000093084035 454680287 /nfs/dbraw/zinc/68/02/87/454680287.db2.gz GQSMACSDUSEHOT-UHFFFAOYSA-N 0 3 326.440 3.425 20 10 EGCDHN CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cc(C)ccc1[O-] ZINC000093084035 454680291 /nfs/dbraw/zinc/68/02/91/454680291.db2.gz GQSMACSDUSEHOT-UHFFFAOYSA-N 0 3 326.440 3.425 20 10 EGCDHN c1sc(CCNCc2ccc3c(c2)CCO3)nc1-c1ccccn1 ZINC000123930706 454688096 /nfs/dbraw/zinc/68/80/96/454688096.db2.gz KWYMRDZNYCFXSX-UHFFFAOYSA-N 0 3 337.448 3.472 20 10 EGCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c1 ZINC000124186921 454703719 /nfs/dbraw/zinc/70/37/19/454703719.db2.gz CYNUTOHIWGDONA-INIZCTEOSA-N 0 3 340.471 3.398 20 10 EGCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c1 ZINC000124186921 454703720 /nfs/dbraw/zinc/70/37/20/454703720.db2.gz CYNUTOHIWGDONA-INIZCTEOSA-N 0 3 340.471 3.398 20 10 EGCDHN COc1cccc([C@@H](C[NH2+][C@H](C)c2cc(F)ccc2[O-])N(C)C)c1 ZINC000176980365 454807277 /nfs/dbraw/zinc/80/72/77/454807277.db2.gz ZCGULYVWPAOIKV-FZKQIMNGSA-N 0 3 332.419 3.493 20 10 EGCDHN CC[C@@H]([NH2+]C[C@H](c1ccc(C)o1)N1CCOCC1)c1ccccc1[O-] ZINC000154969908 454949185 /nfs/dbraw/zinc/94/91/85/454949185.db2.gz FHMATTABJASYNM-QZTJIDSGSA-N 0 3 344.455 3.408 20 10 EGCDHN CC(=O)c1cc(F)cc(CN2CCC([NH+]3CCCCC3)CC2)c1[O-] ZINC000267073626 455497542 /nfs/dbraw/zinc/49/75/42/455497542.db2.gz PFIQBODSXBWHHH-UHFFFAOYSA-N 0 3 334.435 3.184 20 10 EGCDHN O=C(Oc1ccccc1)N1CCCN(Cc2ccccc2O)CC1 ZINC000179567929 455059072 /nfs/dbraw/zinc/05/90/72/455059072.db2.gz FYATZFNQGBMWKA-UHFFFAOYSA-N 0 3 326.396 3.099 20 10 EGCDHN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000171439550 455070792 /nfs/dbraw/zinc/07/07/92/455070792.db2.gz DKYVYSOBOMIDPL-INIZCTEOSA-N 0 3 343.496 3.466 20 10 EGCDHN Cc1cccc(CN2CCCN(C(=O)c3ccsc3)CC2)c1O ZINC000179796129 455079927 /nfs/dbraw/zinc/07/99/27/455079927.db2.gz IKMSHIKBZCXIJD-UHFFFAOYSA-N 0 3 330.453 3.110 20 10 EGCDHN O=C(Nc1ccccc1O)C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000179891201 455095049 /nfs/dbraw/zinc/09/50/49/455095049.db2.gz ATKYUDOFHFIQKO-UHFFFAOYSA-N 0 3 344.386 3.088 20 10 EGCDHN O=C(Nc1ccccc1)NC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000179984134 455110665 /nfs/dbraw/zinc/11/06/65/455110665.db2.gz LWJJOSKCIBLZOO-UHFFFAOYSA-N 0 3 343.402 3.317 20 10 EGCDHN COc1cccc(C[NH2+]CC2=CCN(C(=O)OC(C)(C)C)CC2)c1[O-] ZINC000189488809 455205407 /nfs/dbraw/zinc/20/54/07/455205407.db2.gz KNGDIYKOYIBUKL-UHFFFAOYSA-N 0 3 348.443 3.058 20 10 EGCDHN C[C@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)c1ccccc1[O-] ZINC000183378710 455285078 /nfs/dbraw/zinc/28/50/78/455285078.db2.gz PQQIXLZHHUOQTN-GOEBONIOSA-N 0 3 332.469 3.178 20 10 EGCDHN Oc1ccccc1CN(Cc1cccc2nccn21)C[C@H]1CCCO1 ZINC000183513081 455301702 /nfs/dbraw/zinc/30/17/02/455301702.db2.gz LJSUMGRVUOCITM-GOSISDBHSA-N 0 3 337.423 3.221 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c1[O-] ZINC000245637635 455345462 /nfs/dbraw/zinc/34/54/62/455345462.db2.gz CKIAYLIRBAMINM-SWLSCSKDSA-N 0 3 340.261 3.464 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c1[O-] ZINC000245637635 455345466 /nfs/dbraw/zinc/34/54/66/455345466.db2.gz CKIAYLIRBAMINM-SWLSCSKDSA-N 0 3 340.261 3.464 20 10 EGCDHN Cc1cc([O-])c(C[NH2+]CCCC(=O)N2Cc3ccccc3C2)cc1C ZINC000174381579 455384375 /nfs/dbraw/zinc/38/43/75/455384375.db2.gz JIFITZKGEBMFFA-UHFFFAOYSA-N 0 3 338.451 3.421 20 10 EGCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)cc1OC ZINC000245947529 455404927 /nfs/dbraw/zinc/40/49/27/455404927.db2.gz WDCGJONPACISRW-GOEBONIOSA-N 0 3 347.411 3.091 20 10 EGCDHN COc1cc([O-])c(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)cc1OC ZINC000245947529 455404931 /nfs/dbraw/zinc/40/49/31/455404931.db2.gz WDCGJONPACISRW-GOEBONIOSA-N 0 3 347.411 3.091 20 10 EGCDHN COc1cc(O)c(CN2CCC[C@H]2C[C@@H](O)c2ccco2)cc1OC ZINC000245947529 455404934 /nfs/dbraw/zinc/40/49/34/455404934.db2.gz WDCGJONPACISRW-GOEBONIOSA-N 0 3 347.411 3.091 20 10 EGCDHN COc1cc(Cl)cc(CN2CC[C@H](C[NH+]3CCCCC3)C2)c1[O-] ZINC000184698980 455430433 /nfs/dbraw/zinc/43/04/33/455430433.db2.gz LZNGIQYXZRTLHW-CQSZACIVSA-N 0 3 338.879 3.362 20 10 EGCDHN C[C@H]([NH2+]Cc1ccc(N2CCO[C@@H](C)C2)nc1)c1cc(F)ccc1[O-] ZINC000185033618 455488543 /nfs/dbraw/zinc/48/85/43/455488543.db2.gz QFZYJPPFLGOWSR-KBPBESRZSA-N 0 3 345.418 3.002 20 10 EGCDHN CN(C)c1ccc(CN2CCC(Oc3ccc(F)nc3)CC2)cc1 ZINC000191679015 455509485 /nfs/dbraw/zinc/50/94/85/455509485.db2.gz NFXAJXRSOMCFKU-UHFFFAOYSA-N 0 3 329.419 3.330 20 10 EGCDHN COc1ccc(OC)c(CC[NH2+][C@H](C)c2cc(OC)ccc2[O-])c1 ZINC000185186590 455517882 /nfs/dbraw/zinc/51/78/82/455517882.db2.gz NQPNCCRXZHZKFS-CYBMUJFWSA-N 0 3 331.412 3.311 20 10 EGCDHN CC[C@@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1ccccc1[O-] ZINC000185208857 455521903 /nfs/dbraw/zinc/52/19/03/455521903.db2.gz ZYYKABASTPBVGX-HXUWFJFHSA-N 0 3 340.467 3.465 20 10 EGCDHN C[C@H](C[NH2+][C@H](C)c1ccc2ccccc2c1[O-])CN1CCN(C)CC1 ZINC000185344112 455544370 /nfs/dbraw/zinc/54/43/70/455544370.db2.gz CIUFRWRCVBWNJS-IAGOWNOFSA-N 0 3 341.499 3.080 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000185442518 455559072 /nfs/dbraw/zinc/55/90/72/455559072.db2.gz ZHBZQHXYLXDUDY-CHWSQXEVSA-N 0 3 336.432 3.061 20 10 EGCDHN CC[C@@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1[O-] ZINC000186303432 455738229 /nfs/dbraw/zinc/73/82/29/455738229.db2.gz SCEPVJKHWRBXMG-PKOBYXMFSA-N 0 3 338.451 3.482 20 10 EGCDHN C[C@@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+]Cc2ccccc2[O-])C1=O ZINC000292969367 455768934 /nfs/dbraw/zinc/76/89/34/455768934.db2.gz KEXCFAIKXVDILE-KSSFIOAISA-N 0 3 342.414 3.373 20 10 EGCDHN COc1ccc(CNCc2cccc(N3CCOCC3)c2)cc1C ZINC000293007543 455769658 /nfs/dbraw/zinc/76/96/58/455769658.db2.gz PKIMKQHCGIUAKX-UHFFFAOYSA-N 0 3 326.440 3.130 20 10 EGCDHN COC[C@H](CCO)[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000293267641 455780203 /nfs/dbraw/zinc/78/02/03/455780203.db2.gz CFIXYZQKZLSTKL-PKOBYXMFSA-N 0 3 329.440 3.053 20 10 EGCDHN C/C=C/C[C@@H](CO)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000186529054 455786990 /nfs/dbraw/zinc/78/69/90/455786990.db2.gz NMDVCLUFFDAKBL-DCKQQPRJSA-N 0 3 327.424 3.388 20 10 EGCDHN COc1cc([O-])c(C[NH2+][C@H]2CCOC3(CCCCC3)C2)cc1OC ZINC000271854526 455788079 /nfs/dbraw/zinc/78/80/79/455788079.db2.gz UNCGOJOJWQASDU-HNNXBMFYSA-N 0 3 335.444 3.381 20 10 EGCDHN Cc1cc(CN2CC[C@@H](OCc3ccncc3)C2)ccc1N(C)C ZINC000294228231 455808878 /nfs/dbraw/zinc/80/88/78/455808878.db2.gz SRNLLDPHIJRONI-LJQANCHMSA-N 0 3 325.456 3.247 20 10 EGCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000294355325 455812469 /nfs/dbraw/zinc/81/24/69/455812469.db2.gz QACPZVAWUZRKNT-HBFSDRIKSA-N 0 3 341.451 3.196 20 10 EGCDHN CCCOc1ccc(C[NH2+]C2(C(=O)N(C)C)CCCCC2)c([O-])c1 ZINC000294730844 455824905 /nfs/dbraw/zinc/82/49/05/455824905.db2.gz DIDGNKPNWAQFCI-UHFFFAOYSA-N 0 3 334.460 3.062 20 10 EGCDHN COC[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])[C@@H]1CCCO1 ZINC000278548539 455840247 /nfs/dbraw/zinc/84/02/47/455840247.db2.gz BFMWBZVRBPXJMV-ICSRJNTNSA-N 0 3 327.424 3.343 20 10 EGCDHN COc1cccc(C[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)c1[O-] ZINC000278875945 455851064 /nfs/dbraw/zinc/85/10/64/455851064.db2.gz ZAFDWMSBTZUYKQ-AWEZNQCLSA-N 0 3 325.767 3.017 20 10 EGCDHN COc1cccc([C@@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)N(C)C)c1 ZINC000295901203 455862468 /nfs/dbraw/zinc/86/24/68/455862468.db2.gz IQNNFBDXYKGCDC-QZTJIDSGSA-N 0 3 326.440 3.281 20 10 EGCDHN CCOc1cccc(CN[C@@H](C)c2ccc([S@@](C)=O)cc2)c1O ZINC000270208056 455902787 /nfs/dbraw/zinc/90/27/87/455902787.db2.gz ZTZCXMFNPTWWSD-ZAMGYDSWSA-N 0 3 333.453 3.379 20 10 EGCDHN C[C@@H]1CN(c2ccc(CNCc3ccn(C)c3)cc2F)C[C@@H](C)O1 ZINC000270623854 455998697 /nfs/dbraw/zinc/99/86/97/455998697.db2.gz KQGPVVPZZJCFEY-HUUCEWRRSA-N 0 3 331.435 3.068 20 10 EGCDHN CC[C@H](c1ccc(C)cc1[O-])[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000296648802 456000908 /nfs/dbraw/zinc/00/09/08/456000908.db2.gz YRFLYOOAZVKUIH-LZLYRXPVSA-N 0 3 338.451 3.433 20 10 EGCDHN CC[C@H](c1ccc(C)cc1[O-])[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000296648802 456000913 /nfs/dbraw/zinc/00/09/13/456000913.db2.gz YRFLYOOAZVKUIH-LZLYRXPVSA-N 0 3 338.451 3.433 20 10 EGCDHN CN(C)c1ccc(CNC[C@@](C)(O)c2ccco2)c(C(F)(F)F)c1 ZINC000280665971 456026042 /nfs/dbraw/zinc/02/60/42/456026042.db2.gz CAVISPNTKYNSKM-MRXNPFEDSA-N 0 3 342.361 3.362 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]CCCN2C(=O)c3ccccc3C2=O)c([O-])c1 ZINC000287584806 456071940 /nfs/dbraw/zinc/07/19/40/456071940.db2.gz RFCUJJJMCWXOQY-AWEZNQCLSA-N 0 3 338.407 3.038 20 10 EGCDHN C[C@@H](CCOCc1ccccc1)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000288479207 456097487 /nfs/dbraw/zinc/09/74/87/456097487.db2.gz PQQDJQIFVVCIHD-AWEZNQCLSA-N 0 3 329.396 3.206 20 10 EGCDHN COCCOCc1ccc(CNCc2ccc(OC)c(C)c2)cc1 ZINC000289161678 456115767 /nfs/dbraw/zinc/11/57/67/456115767.db2.gz ALAQWQKZUIKRSS-UHFFFAOYSA-N 0 3 329.440 3.456 20 10 EGCDHN COc1cccc(CNCc2cn(C)nc2C2CCCCC2)c1O ZINC000289184870 456117795 /nfs/dbraw/zinc/11/77/95/456117795.db2.gz AWBBOEPGRUNWFW-UHFFFAOYSA-N 0 3 329.444 3.472 20 10 EGCDHN COc1cccc(CN(CCN(C)C)Cc2cccc(F)c2)c1O ZINC000289501875 456127592 /nfs/dbraw/zinc/12/75/92/456127592.db2.gz SXHGVIVFAIFMLA-UHFFFAOYSA-N 0 3 332.419 3.104 20 10 EGCDHN CCOc1cccc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)c1[O-] ZINC000289839572 456150876 /nfs/dbraw/zinc/15/08/76/456150876.db2.gz NCLPYGNSPZFOCK-XLIONFOSSA-N 0 3 327.424 3.047 20 10 EGCDHN COc1cccc(CN2CCC[C@H](c3noc(C4CC4)n3)C2)c1O ZINC000271229743 456183292 /nfs/dbraw/zinc/18/32/92/456183292.db2.gz TXYJOCOIEZAOMQ-AWEZNQCLSA-N 0 3 329.400 3.041 20 10 EGCDHN C[C@H]([NH2+]Cc1cccc(CN(C)C)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273400961 456228735 /nfs/dbraw/zinc/22/87/35/456228735.db2.gz NDSKMUOWGNKDRE-ZDUSSCGKSA-N 0 3 329.400 3.213 20 10 EGCDHN COc1ccc(O)c([C@@H](C)NCc2ccc(OC)c(OC)c2OC)c1 ZINC000273432170 456229626 /nfs/dbraw/zinc/22/96/26/456229626.db2.gz VWNFCHYOMKTDAJ-GFCCVEGCSA-N 0 3 347.411 3.277 20 10 EGCDHN CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3[O-])CC[C@@H]2C1 ZINC000290980363 456485906 /nfs/dbraw/zinc/48/59/06/456485906.db2.gz UAOYXIYKSGOKPU-ZBFHGGJFSA-N 0 3 332.444 3.081 20 10 EGCDHN CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3[O-])CC[C@@H]2C1 ZINC000290980363 456485912 /nfs/dbraw/zinc/48/59/12/456485912.db2.gz UAOYXIYKSGOKPU-ZBFHGGJFSA-N 0 3 332.444 3.081 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+][C@]2(CO)CCCc3ccccc32)c1[O-] ZINC000282411599 456505921 /nfs/dbraw/zinc/50/59/21/456505921.db2.gz SEPVNASGEKMOCQ-IBGZPJMESA-N 0 3 347.842 3.368 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCOCC(F)F)c1[O-] ZINC000276618022 456532312 /nfs/dbraw/zinc/53/23/12/456532312.db2.gz HPNQZHHCNHRWKW-VIFPVBQESA-N 0 3 338.192 3.395 20 10 EGCDHN CCCCN(CC(=O)N(C)Cc1ccco1)Cc1ccccc1O ZINC000282512722 456537809 /nfs/dbraw/zinc/53/78/09/456537809.db2.gz SDFQWIYYSGGXGN-UHFFFAOYSA-N 0 3 330.428 3.246 20 10 EGCDHN Cc1c2ccccc2n(C)c1CNC(=O)c1ccc(CN(C)C)cc1 ZINC000348663822 456806693 /nfs/dbraw/zinc/80/66/93/456806693.db2.gz FWSXTKAXHRBXCM-UHFFFAOYSA-N 0 3 335.451 3.478 20 10 EGCDHN COc1cccc(C[N@@H+]2CCC[C@H]2Cn2ccnc2C(C)C)c1[O-] ZINC000359869497 457136754 /nfs/dbraw/zinc/13/67/54/457136754.db2.gz IMOMUBRZBQHGET-INIZCTEOSA-N 0 3 329.444 3.385 20 10 EGCDHN COc1cccc(C[N@H+]2CCC[C@H]2Cn2ccnc2C(C)C)c1[O-] ZINC000359869497 457136758 /nfs/dbraw/zinc/13/67/58/457136758.db2.gz IMOMUBRZBQHGET-INIZCTEOSA-N 0 3 329.444 3.385 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3ccnn3C)C2)c1[O-] ZINC000363934734 457464331 /nfs/dbraw/zinc/46/43/31/457464331.db2.gz WFBZHGHCLLCKGB-LBPRGKRZSA-N 0 3 335.835 3.167 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H](c3ccnn3C)C2)c1[O-] ZINC000363934734 457464337 /nfs/dbraw/zinc/46/43/37/457464337.db2.gz WFBZHGHCLLCKGB-LBPRGKRZSA-N 0 3 335.835 3.167 20 10 EGCDHN C[C@H]([NH2+][C@@H]1CCc2cn[nH]c2C1)c1ccc(Br)cc1[O-] ZINC000370393064 457638087 /nfs/dbraw/zinc/63/80/87/457638087.db2.gz AAWPDKZAIQGIFP-JOYOIKCWSA-N 0 3 336.233 3.086 20 10 EGCDHN C[C@@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1cc(Br)ccc1[O-] ZINC000370396124 457638144 /nfs/dbraw/zinc/63/81/44/457638144.db2.gz KHSHUEQNVCLUSE-SKDRFNHKSA-N 0 3 336.233 3.086 20 10 EGCDHN Cc1n[nH]c(C)c1[C@@H]1CCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000367721966 457976020 /nfs/dbraw/zinc/97/60/20/457976020.db2.gz ASQJMHPQGMBNKU-IBGZPJMESA-N 0 3 340.471 3.200 20 10 EGCDHN COc1cccc(C[N@@H+]2CCCC[C@H]2[C@@H](O)c2ccccc2)c1[O-] ZINC000362388939 458145724 /nfs/dbraw/zinc/14/57/24/458145724.db2.gz JMBKYZBMDYTTJI-HKUYNNGSSA-N 0 3 327.424 3.489 20 10 EGCDHN COc1cccc(C[N@H+]2CCCC[C@H]2[C@@H](O)c2ccccc2)c1[O-] ZINC000362388939 458145726 /nfs/dbraw/zinc/14/57/26/458145726.db2.gz JMBKYZBMDYTTJI-HKUYNNGSSA-N 0 3 327.424 3.489 20 10 EGCDHN CCOc1ccc([O-])c(C[NH2+]C[C@@]2(C)OCCc3sccc32)c1 ZINC000377783410 458526199 /nfs/dbraw/zinc/52/61/99/458526199.db2.gz RKMRPZXSUZDSMD-GOSISDBHSA-N 0 3 333.453 3.430 20 10 EGCDHN CCCCN(C)CCNC(=O)NCc1c(C)c2ccccc2n1C ZINC000471922254 458751392 /nfs/dbraw/zinc/75/13/92/458751392.db2.gz UZVFLKYJHFFRJB-UHFFFAOYSA-N 0 3 330.476 3.018 20 10 EGCDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)c1cccc(F)c1)C[C@@H]1CCCO1 ZINC000731844654 575211887 /nfs/dbraw/zinc/21/18/87/575211887.db2.gz LYOBBGHXXHRADK-AZUAARDMSA-N 0 3 345.414 3.246 20 10 EGCDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)c1cccc(F)c1)C[C@@H]1CCCO1 ZINC000731844654 575211888 /nfs/dbraw/zinc/21/18/88/575211888.db2.gz LYOBBGHXXHRADK-AZUAARDMSA-N 0 3 345.414 3.246 20 10 EGCDHN O=[N+]([O-])c1cc(CNCCc2cscn2)ccc1N1CCCCC1 ZINC000736355037 575942155 /nfs/dbraw/zinc/94/21/55/575942155.db2.gz CODZOBRLYYFJEY-UHFFFAOYSA-N 0 3 346.456 3.374 20 10 EGCDHN CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc([O-])cs1 ZINC000743812889 576816278 /nfs/dbraw/zinc/81/62/78/576816278.db2.gz GHAGIPISODJVLN-INIZCTEOSA-N 0 3 344.480 3.438 20 10 EGCDHN CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc([O-])cs1 ZINC000743812889 576816279 /nfs/dbraw/zinc/81/62/79/576816279.db2.gz GHAGIPISODJVLN-INIZCTEOSA-N 0 3 344.480 3.438 20 10 EGCDHN CCC[C@]1(C)CCCN(CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000744429092 576828005 /nfs/dbraw/zinc/82/80/05/576828005.db2.gz QBKFVHRYPNXCSR-HXUWFJFHSA-N 0 3 331.504 3.271 20 10 EGCDHN [O-]c1cc(Br)ccc1CN1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000691498370 1298133835 /nfs/dbraw/zinc/13/38/35/1298133835.db2.gz SRGRSXMCYRIPFT-HUUCEWRRSA-N 0 3 339.277 3.261 20 10 EGCDHN Cc1cc(CN(C)[C@@H]2CCCCNC2=O)ccc1N1CCCCC1 ZINC000827680010 1292355213 /nfs/dbraw/zinc/35/52/13/1292355213.db2.gz OTSUAYVFGIBGLM-LJQANCHMSA-N 0 3 329.488 3.086 20 10 EGCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NCc1ccccc1F ZINC000076074350 1292418944 /nfs/dbraw/zinc/41/89/44/1292418944.db2.gz DVMHHNZQRHIIGI-OAHLLOKOSA-N 0 3 344.430 3.448 20 10 EGCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NCc1ccccc1F ZINC000076074350 1292418946 /nfs/dbraw/zinc/41/89/46/1292418946.db2.gz DVMHHNZQRHIIGI-OAHLLOKOSA-N 0 3 344.430 3.448 20 10 EGCDHN CC[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccncc1 ZINC000834531329 1293111850 /nfs/dbraw/zinc/11/18/50/1293111850.db2.gz VZTKQEUNPWSLSA-LJQANCHMSA-N 0 3 343.446 3.423 20 10 EGCDHN O=C1[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCCN1c1ccccc1F ZINC000834693186 1293132986 /nfs/dbraw/zinc/13/29/86/1293132986.db2.gz LWFIOKMONQVBJS-HOTGVXAUSA-N 0 3 340.398 3.304 20 10 EGCDHN CCOC(=O)N1CCC([C@H](C)[NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000834774829 1293145673 /nfs/dbraw/zinc/14/56/73/1293145673.db2.gz RSNQACTVGZJBKW-XJKSGUPXSA-N 0 3 332.444 3.226 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@H](c3ccnn3C)C2)c2c1c(F)ccc2[O-] ZINC000834900510 1293169998 /nfs/dbraw/zinc/16/99/98/1293169998.db2.gz UEVBKPMFXAYBJL-NVNVUAJTSA-N 0 3 345.418 3.323 20 10 EGCDHN CC[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1ccccc1[O-] ZINC000121103300 1293355297 /nfs/dbraw/zinc/35/52/97/1293355297.db2.gz BNUVGTZLHYRCEN-GFCCVEGCSA-N 0 3 338.329 3.489 20 10 EGCDHN CC[C@@H](N[C@H](C)C(=O)NCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000177944729 1294705114 /nfs/dbraw/zinc/70/51/14/1294705114.db2.gz PKCLVAZMWAGCCI-OXQOHEQNSA-N 0 3 339.483 3.498 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2cc(C)ccc2C)c1 ZINC000182344759 1295037274 /nfs/dbraw/zinc/03/72/74/1295037274.db2.gz FQDMCYBDZPRHPX-AWEZNQCLSA-N 0 3 328.412 3.307 20 10 EGCDHN C[C@H]([NH2+][C@@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccccc1[O-] ZINC000183555209 1295130477 /nfs/dbraw/zinc/13/04/77/1295130477.db2.gz WTEZKYZVBCPZBP-FUHWJXTLSA-N 0 3 338.451 3.277 20 10 EGCDHN CCN1CCN(c2cccc(NC(=O)c3cccc(F)c3)c2)CC1 ZINC000184280418 1295184078 /nfs/dbraw/zinc/18/40/78/1295184078.db2.gz XSVHGAJTYPQFLO-UHFFFAOYSA-N 0 3 327.403 3.220 20 10 EGCDHN Cc1ccc(O)c([C@H](C)NCC(=O)Nc2ccc(F)c(F)c2F)c1 ZINC000184865102 1295224740 /nfs/dbraw/zinc/22/47/40/1295224740.db2.gz WYHXTWGCNKNHAH-JTQLQIEISA-N 0 3 338.329 3.407 20 10 EGCDHN C[C@@H]([NH2+][C@H](CNC(=O)OC(C)(C)C)C1CC1)c1cc(F)ccc1[O-] ZINC000185534117 1295269071 /nfs/dbraw/zinc/26/90/71/1295269071.db2.gz OZASRWAHEYELSM-IAQYHMDHSA-N 0 3 338.423 3.485 20 10 EGCDHN CCN(Cc1ccc(N(C)C)cc1)Cc1cnc2c(c1)c(C)nn2C ZINC000195430516 1296066253 /nfs/dbraw/zinc/06/62/53/1296066253.db2.gz MINYBDVCNVHBHX-UHFFFAOYSA-N 0 3 337.471 3.365 20 10 EGCDHN Cc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c(CN(C)C)c1 ZINC000588404607 1298058074 /nfs/dbraw/zinc/05/80/74/1298058074.db2.gz KEWIQGZROSPYBO-TWGQIWQCSA-N 0 3 326.396 3.120 20 10 EGCDHN [O-]c1c(F)cc(Br)cc1CN[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000715780826 1298286323 /nfs/dbraw/zinc/28/63/23/1298286323.db2.gz YVEXUXJYOOEDKO-ZIAGYGMSSA-N 0 3 343.240 3.010 20 10 EGCDHN [O-]c1c(F)cc(Br)cc1CN[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000715780826 1298286332 /nfs/dbraw/zinc/28/63/32/1298286332.db2.gz YVEXUXJYOOEDKO-ZIAGYGMSSA-N 0 3 343.240 3.010 20 10 EGCDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000746172100 1298548035 /nfs/dbraw/zinc/54/80/35/1298548035.db2.gz GDMVTGXBMUWUAJ-CALCHBBNSA-N 0 3 329.488 3.166 20 10 EGCDHN Cc1cccc(C(=O)N2CCCN(Cc3ccc(C)cc3O)CC2)c1 ZINC000876568831 1298834714 /nfs/dbraw/zinc/83/47/14/1298834714.db2.gz LXZNUCKNPUWRKC-UHFFFAOYSA-N 0 3 338.451 3.357 20 10 EGCDHN Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000876689837 1298923467 /nfs/dbraw/zinc/92/34/67/1298923467.db2.gz CFIGUPAXQMNPLN-HNNXBMFYSA-N 0 3 334.460 3.389 20 10 EGCDHN Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000876689837 1298923473 /nfs/dbraw/zinc/92/34/73/1298923473.db2.gz CFIGUPAXQMNPLN-HNNXBMFYSA-N 0 3 334.460 3.389 20 10 EGCDHN Cc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)c([O-])c1 ZINC000876987509 1299102601 /nfs/dbraw/zinc/10/26/01/1299102601.db2.gz YTZSTOVETLLMJR-INIZCTEOSA-N 0 3 326.440 3.388 20 10 EGCDHN CC1(c2ccccc2)CN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877646906 1299452844 /nfs/dbraw/zinc/45/28/44/1299452844.db2.gz MWTJJFXFVRKRKZ-UHFFFAOYSA-N 0 3 336.479 3.421 20 10 EGCDHN Cc1c(C[NH2+][C@H](C)c2ccccc2[O-])c(=O)n(-c2ccccc2)n1C ZINC000877756347 1299532641 /nfs/dbraw/zinc/53/26/41/1299532641.db2.gz ICZXMQIPGNBIAJ-CQSZACIVSA-N 0 3 337.423 3.041 20 10 EGCDHN CC[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@@H]1O ZINC000753550145 1299971971 /nfs/dbraw/zinc/97/19/71/1299971971.db2.gz URQZWVAYHRRYAK-UZLBHIALSA-N 0 3 327.424 3.174 20 10 EGCDHN CC[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@@H]1O ZINC000753550145 1299971980 /nfs/dbraw/zinc/97/19/80/1299971980.db2.gz URQZWVAYHRRYAK-UZLBHIALSA-N 0 3 327.424 3.174 20 10 EGCDHN C[C@H]([NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@@H]1CCCO1 ZINC000753660660 1300001373 /nfs/dbraw/zinc/00/13/73/1300001373.db2.gz AMQVKDRFWUADDN-OWQGQXMQSA-N 0 3 338.879 3.167 20 10 EGCDHN COc1ccc(N2CCN(Cc3cc(C)c(C)cc3O)CC2)cc1F ZINC000754014003 1300065474 /nfs/dbraw/zinc/06/54/74/1300065474.db2.gz PQOJTKZWNKJBNO-UHFFFAOYSA-N 0 3 344.430 3.479 20 10 EGCDHN C[C@H]([NH2+]CCN1CCN(c2ccccc2)CC1)c1cc(F)ccc1[O-] ZINC000756398315 1300484433 /nfs/dbraw/zinc/48/44/33/1300484433.db2.gz UXWXWEJUSWCIHC-INIZCTEOSA-N 0 3 343.446 3.004 20 10 EGCDHN CNC(=O)c1cccc(CC[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)c1 ZINC000756604122 1300529203 /nfs/dbraw/zinc/52/92/03/1300529203.db2.gz LRHABCKJLYBDOJ-BLLLJJGKSA-N 0 3 342.414 3.272 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ncccc3F)C2)c2c1c(F)ccc2[O-] ZINC000756645347 1300539976 /nfs/dbraw/zinc/53/99/76/1300539976.db2.gz IWWFUEMVNWGIHP-JMSVASOKSA-N 0 3 345.393 3.482 20 10 EGCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC[C@H](C)N2CCCCC2)c1 ZINC000757659130 1300706387 /nfs/dbraw/zinc/70/63/87/1300706387.db2.gz WSJRMIBAIGXYTP-LSDHHAIUSA-N 0 3 334.460 3.094 20 10 EGCDHN [O-]c1ccccc1C[N@H+](CCCc1ccncc1)C[C@@H]1CCCO1 ZINC000764975970 1302179102 /nfs/dbraw/zinc/17/91/02/1302179102.db2.gz DHMVANJZPUCDKM-IBGZPJMESA-N 0 3 326.440 3.401 20 10 EGCDHN [O-]c1ccccc1C[N@@H+](CCCc1ccncc1)C[C@@H]1CCCO1 ZINC000764975970 1302179107 /nfs/dbraw/zinc/17/91/07/1302179107.db2.gz DHMVANJZPUCDKM-IBGZPJMESA-N 0 3 326.440 3.401 20 10 EGCDHN CCOc1ccc(NC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000765386843 1302259200 /nfs/dbraw/zinc/25/92/00/1302259200.db2.gz VZNOGGUKVHZJDY-OAHLLOKOSA-N 0 3 341.455 3.441 20 10 EGCDHN CCOc1ccc(C[N@H+](C)Cc2ccc3c(c2)OCCO3)c([O-])c1 ZINC000768182575 1302845990 /nfs/dbraw/zinc/84/59/90/1302845990.db2.gz GXRBSQMLXYMECF-UHFFFAOYSA-N 0 3 329.396 3.194 20 10 EGCDHN CCOc1ccc(C[N@@H+](C)Cc2ccc3c(c2)OCCO3)c([O-])c1 ZINC000768182575 1302846001 /nfs/dbraw/zinc/84/60/01/1302846001.db2.gz GXRBSQMLXYMECF-UHFFFAOYSA-N 0 3 329.396 3.194 20 10 EGCDHN O=[N+]([O-])c1cc(CN2CCC(CCO)CC2)ccc1N1CCCCC1 ZINC000768237298 1302862553 /nfs/dbraw/zinc/86/25/53/1302862553.db2.gz NOPMSDLGLHPNMO-UHFFFAOYSA-N 0 3 347.459 3.180 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+](Cc1ccc(F)cc1)C1CC1)[C@@H](O)CO2 ZINC000768442535 1302902502 /nfs/dbraw/zinc/90/25/02/1302902502.db2.gz RXRABWILBSOBMW-SFHVURJKSA-N 0 3 329.371 3.122 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+](Cc1ccc(F)cc1)C1CC1)[C@@H](O)CO2 ZINC000768442535 1302902513 /nfs/dbraw/zinc/90/25/13/1302902513.db2.gz RXRABWILBSOBMW-SFHVURJKSA-N 0 3 329.371 3.122 20 10 EGCDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)[C@H]1CCCc2ccccc21 ZINC000768441942 1302905205 /nfs/dbraw/zinc/90/52/05/1302905205.db2.gz RBRFDCQMDDZRFJ-PKOBYXMFSA-N 0 3 325.408 3.327 20 10 EGCDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)[C@H]1CCCc2ccccc21 ZINC000768441942 1302905211 /nfs/dbraw/zinc/90/52/11/1302905211.db2.gz RBRFDCQMDDZRFJ-PKOBYXMFSA-N 0 3 325.408 3.327 20 10 EGCDHN CC(C)Oc1cccc(C[N@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)c1 ZINC000768465653 1302913930 /nfs/dbraw/zinc/91/39/30/1302913930.db2.gz OOSQELWYOBNCNJ-IBGZPJMESA-N 0 3 343.423 3.237 20 10 EGCDHN CC(C)Oc1cccc(C[N@@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)c1 ZINC000768465653 1302913942 /nfs/dbraw/zinc/91/39/42/1302913942.db2.gz OOSQELWYOBNCNJ-IBGZPJMESA-N 0 3 343.423 3.237 20 10 EGCDHN CCOCCN(CC)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000769138975 1303054807 /nfs/dbraw/zinc/05/48/07/1303054807.db2.gz FRMZPTRDNBKPRL-UHFFFAOYSA-N 0 3 335.448 3.444 20 10 EGCDHN C/C=C/C[C@H](CO)N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000769993930 1303203326 /nfs/dbraw/zinc/20/33/26/1303203326.db2.gz INAWORTUKPLLKY-NMONBKHDSA-N 0 3 338.879 3.154 20 10 EGCDHN COCCC[N@H+](CCc1ccc(OC)cc1)Cc1ccccc1[O-] ZINC000770511082 1303280248 /nfs/dbraw/zinc/28/02/48/1303280248.db2.gz YZEOKHNSXCHKLG-UHFFFAOYSA-N 0 3 329.440 3.482 20 10 EGCDHN COCCC[N@@H+](CCc1ccc(OC)cc1)Cc1ccccc1[O-] ZINC000770511082 1303280251 /nfs/dbraw/zinc/28/02/51/1303280251.db2.gz YZEOKHNSXCHKLG-UHFFFAOYSA-N 0 3 329.440 3.482 20 10 EGCDHN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000772827792 1303583233 /nfs/dbraw/zinc/58/32/33/1303583233.db2.gz KAITVLSAWLBYRM-OXQOHEQNSA-N 0 3 337.467 3.389 20 10 EGCDHN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000772827792 1303583241 /nfs/dbraw/zinc/58/32/41/1303583241.db2.gz KAITVLSAWLBYRM-OXQOHEQNSA-N 0 3 337.467 3.389 20 10 EGCDHN C[C@@H](NCC(=O)NC1CCCC1)c1ccc(N2CCCCC2)cc1 ZINC000772982745 1303601901 /nfs/dbraw/zinc/60/19/01/1303601901.db2.gz YHXSBVIEFLPDDV-MRXNPFEDSA-N 0 3 329.488 3.386 20 10 EGCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+]C[C@H]2CCC=CO2)C1 ZINC000775012036 1303888554 /nfs/dbraw/zinc/88/85/54/1303888554.db2.gz PHWJHHOQSJQJBM-DLBZAZTESA-N 0 3 336.863 3.292 20 10 EGCDHN COc1ccc(O)c(CN2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000775638274 1304000328 /nfs/dbraw/zinc/00/03/28/1304000328.db2.gz GXMSZQMDDWXASZ-UHFFFAOYSA-N 0 3 332.831 3.376 20 10 EGCDHN CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000776174376 1304107588 /nfs/dbraw/zinc/10/75/88/1304107588.db2.gz MWMSBKDDTKOJHA-NHYWBVRUSA-N 0 3 330.266 3.350 20 10 EGCDHN COC(=O)C1=C(C)O[C@H](C[N@H+](Cc2ccccc2[O-])C2CCCC2)C1 ZINC000778216555 1304421439 /nfs/dbraw/zinc/42/14/39/1304421439.db2.gz WRQKJEXALZIPFS-KRWDZBQOSA-N 0 3 345.439 3.373 20 10 EGCDHN COC(=O)C1=C(C)O[C@H](C[N@@H+](Cc2ccccc2[O-])C2CCCC2)C1 ZINC000778216555 1304421443 /nfs/dbraw/zinc/42/14/43/1304421443.db2.gz WRQKJEXALZIPFS-KRWDZBQOSA-N 0 3 345.439 3.373 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCc2ccn(C)n2)c1[O-] ZINC000779048668 1304522859 /nfs/dbraw/zinc/52/28/59/1304522859.db2.gz AYJMAPBQBDCHIT-LLVKDONJSA-N 0 3 338.249 3.090 20 10 EGCDHN CC(=O)N1CC[C@@H](NCc2ccc3c(c2)CCO3)c2ccccc2C1 ZINC000779047139 1304522866 /nfs/dbraw/zinc/52/28/66/1304522866.db2.gz WBXDEPIUSRHZJW-HXUWFJFHSA-N 0 3 336.435 3.205 20 10 EGCDHN Cc1sccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248435 1305000748 /nfs/dbraw/zinc/00/07/48/1305000748.db2.gz MNXQOIAJFYUVPC-KRWDZBQOSA-N 0 3 331.485 3.155 20 10 EGCDHN COc1ccc(CN[C@H]2CCCN(C3CCCCC3)C2=O)cc1C ZINC000785549040 1305376279 /nfs/dbraw/zinc/37/62/79/1305376279.db2.gz QZSKCVJDGNQOPI-SFHVURJKSA-N 0 3 330.472 3.417 20 10 EGCDHN Cn1ncc(CNCc2ccc(N3CCSCC3)cc2)c1C1CC1 ZINC000892612481 1305470584 /nfs/dbraw/zinc/47/05/84/1305470584.db2.gz JNDGGTKCERQVOO-UHFFFAOYSA-N 0 3 342.512 3.141 20 10 EGCDHN COC[C@@H](NCc1cc(C)cc(OC)c1O)c1cccc(OC)c1 ZINC000895251775 1309258112 /nfs/dbraw/zinc/25/81/12/1309258112.db2.gz NROLKPASWMOYGQ-QGZVFWFLSA-N 0 3 331.412 3.195 20 10 EGCDHN C[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000792979055 1309275341 /nfs/dbraw/zinc/27/53/41/1309275341.db2.gz FNSVZMSHEUJCAC-KBRIMQKVSA-N 0 3 338.879 3.025 20 10 EGCDHN COc1ccc(CNCc2c(C(C)C)nc3sc(C)nn23)c(O)c1 ZINC000793387519 1309360863 /nfs/dbraw/zinc/36/08/63/1309360863.db2.gz FXXRHUUEGLKZBQ-UHFFFAOYSA-N 0 3 346.456 3.227 20 10 EGCDHN COc1ccc(C[NH2+]Cc2c(C(C)C)nc3sc(C)nn23)c([O-])c1 ZINC000793387519 1309360870 /nfs/dbraw/zinc/36/08/70/1309360870.db2.gz FXXRHUUEGLKZBQ-UHFFFAOYSA-N 0 3 346.456 3.227 20 10 EGCDHN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3ccccc3[O-])C[C@@H]2C1 ZINC000896997149 1310127182 /nfs/dbraw/zinc/12/71/82/1310127182.db2.gz DPSKSSSZBRLIDM-GDBMZVCRSA-N 0 3 332.444 3.081 20 10 EGCDHN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3ccccc3[O-])C[C@@H]2C1 ZINC000896997149 1310127188 /nfs/dbraw/zinc/12/71/88/1310127188.db2.gz DPSKSSSZBRLIDM-GDBMZVCRSA-N 0 3 332.444 3.081 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+]CC[C@@H]2CCCC[C@@H]2O)c1[O-] ZINC000897536695 1310367737 /nfs/dbraw/zinc/36/77/37/1310367737.db2.gz QKZYKJXOTJHSRN-WFASDCNBSA-N 0 3 342.277 3.494 20 10 EGCDHN COCC1(C[NH2+]Cc2cc(Br)cc(C)c2[O-])CCC1 ZINC000800526481 1310778426 /nfs/dbraw/zinc/77/84/26/1310778426.db2.gz KGKIBOMYIUWEBJ-UHFFFAOYSA-N 0 3 328.250 3.369 20 10 EGCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1Cl ZINC000825710300 1320357670 /nfs/dbraw/zinc/35/76/70/1320357670.db2.gz LMSOKWZIUWQFRU-YGRLFVJLSA-N 0 3 337.769 3.489 20 10 EGCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1Cl ZINC000825710300 1320357674 /nfs/dbraw/zinc/35/76/74/1320357674.db2.gz LMSOKWZIUWQFRU-YGRLFVJLSA-N 0 3 337.769 3.489 20 10 EGCDHN CN(C)c1cc(F)c(CNC[C@@H]2OCCc3ccccc32)cc1F ZINC000858136579 1328692147 /nfs/dbraw/zinc/69/21/47/1328692147.db2.gz OYEQVGXTJSVOQZ-IBGZPJMESA-N 0 3 332.394 3.434 20 10 EGCDHN CN(C)c1cc(F)c(CNC[C@H]2OCCc3ccccc32)cc1F ZINC000858136580 1328692903 /nfs/dbraw/zinc/69/29/03/1328692903.db2.gz OYEQVGXTJSVOQZ-LJQANCHMSA-N 0 3 332.394 3.434 20 10 EGCDHN Cc1cc(C(F)(F)F)nn1CC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000903164391 1317666034 /nfs/dbraw/zinc/66/60/34/1317666034.db2.gz MYVJDWAPMQIBJC-JTQLQIEISA-N 0 3 331.313 3.406 20 10 EGCDHN Cc1cc(O)c(CNCc2ccncc2OC[C@H]2CCOC2)cc1C ZINC000808436232 1317677050 /nfs/dbraw/zinc/67/70/50/1317677050.db2.gz RMISFUQRLSVZEC-INIZCTEOSA-N 0 3 342.439 3.109 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CC(C)(C)N2CCOCC2)c1[O-] ZINC000808672709 1317711847 /nfs/dbraw/zinc/71/18/47/1317711847.db2.gz RPCXYXZLSAEEAJ-ZDUSSCGKSA-N 0 3 326.868 3.115 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CC(=O)NCCc2ccccc2)c1[O-] ZINC000808710924 1317719058 /nfs/dbraw/zinc/71/90/58/1317719058.db2.gz QNMRZIWEPKAZDI-AWEZNQCLSA-N 0 3 346.858 3.364 20 10 EGCDHN COc1ccccc1O[C@H]1CCC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000809711158 1317873425 /nfs/dbraw/zinc/87/34/25/1317873425.db2.gz MOFXSBKJTHSMAE-HNNXBMFYSA-N 0 3 343.423 3.453 20 10 EGCDHN COc1ccccc1O[C@H]1CCC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000809711158 1317873432 /nfs/dbraw/zinc/87/34/32/1317873432.db2.gz MOFXSBKJTHSMAE-HNNXBMFYSA-N 0 3 343.423 3.453 20 10 EGCDHN O=C1Nc2ccccc2C[C@@H]1NCc1ccc(N2CCCCC2)cc1 ZINC000858281765 1328728383 /nfs/dbraw/zinc/72/83/83/1328728383.db2.gz XRQIILQMQZLAAX-FQEVSTJZSA-N 0 3 335.451 3.330 20 10 EGCDHN Cc1cccc([C@@H](O)C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c1 ZINC000929970401 1328752928 /nfs/dbraw/zinc/75/29/28/1328752928.db2.gz JZXSYKCPSUHQRR-FPOVZHCZSA-N 0 3 341.451 3.415 20 10 EGCDHN Cc1cccc([C@@H](O)C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c1 ZINC000929970401 1328752932 /nfs/dbraw/zinc/75/29/32/1328752932.db2.gz JZXSYKCPSUHQRR-FPOVZHCZSA-N 0 3 341.451 3.415 20 10 EGCDHN O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cc([O-])cs1 ZINC000812369943 1318378213 /nfs/dbraw/zinc/37/82/13/1318378213.db2.gz SVPVHKRTXGVZGH-MRXNPFEDSA-N 0 3 344.480 3.486 20 10 EGCDHN O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cc([O-])cs1 ZINC000812369943 1318378222 /nfs/dbraw/zinc/37/82/22/1318378222.db2.gz SVPVHKRTXGVZGH-MRXNPFEDSA-N 0 3 344.480 3.486 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](O)C23CCCC3)c1[O-] ZINC000816630437 1319196747 /nfs/dbraw/zinc/19/67/47/1319196747.db2.gz DOTWMJAHFIJSIX-CQSZACIVSA-N 0 3 340.261 3.343 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@@H](O)C23CCCC3)c1[O-] ZINC000816630437 1319196752 /nfs/dbraw/zinc/19/67/52/1319196752.db2.gz DOTWMJAHFIJSIX-CQSZACIVSA-N 0 3 340.261 3.343 20 10 EGCDHN c1ccc(CN2CCc3cc(CN4CC5(C4)CCOC5)ccc32)cc1 ZINC000816670834 1319205854 /nfs/dbraw/zinc/20/58/54/1319205854.db2.gz HHWPLDMFXFPEKV-UHFFFAOYSA-N 0 3 334.463 3.472 20 10 EGCDHN CON1CCC([NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])CC1 ZINC000817589126 1319408870 /nfs/dbraw/zinc/40/88/70/1319408870.db2.gz UKCMPBIWYQPMNC-NSHDSACASA-N 0 3 343.265 3.140 20 10 EGCDHN C[C@@H](NCCc1ccc(N)cc1)c1ncc(Br)cc1F ZINC000817957837 1319476602 /nfs/dbraw/zinc/47/66/02/1319476602.db2.gz PQLFIAGKYHTSIO-SNVBAGLBSA-N 0 3 338.224 3.459 20 10 EGCDHN C[C@H]([NH2+][C@H](CN)C1CCCC1)c1ccc(Br)cc1[O-] ZINC000817981643 1319485175 /nfs/dbraw/zinc/48/51/75/1319485175.db2.gz MFBCAQAFTXKOCQ-IINYFYTJSA-N 0 3 327.266 3.323 20 10 EGCDHN COc1ccc(N2CC[C@@H](C[NH2+]Cc3c([O-])cccc3OC)C2)cc1 ZINC000818219074 1319521481 /nfs/dbraw/zinc/52/14/81/1319521481.db2.gz BFQVTKJUURMTKD-HNNXBMFYSA-N 0 3 342.439 3.026 20 10 EGCDHN CCN1CCC[C@@H]1CNC(=O)c1sccc1-n1c(C)ccc1C ZINC000917393583 1319799017 /nfs/dbraw/zinc/79/90/17/1319799017.db2.gz QGRHJKFWVBGTAL-OAHLLOKOSA-N 0 3 331.485 3.370 20 10 EGCDHN CN(CC(=O)N(Cc1ccco1)Cc1ccccc1O)CC(C)(C)C ZINC000820872808 1319971823 /nfs/dbraw/zinc/97/18/23/1319971823.db2.gz ZYIXHTTZKOSPSH-UHFFFAOYSA-N 0 3 344.455 3.492 20 10 EGCDHN CCOCc1cc(CNC2(C(=O)N(C)C)CCCCC2)ccc1OC ZINC000824716745 1320280310 /nfs/dbraw/zinc/28/03/10/1320280310.db2.gz ZIVHPXAMFWTDHN-UHFFFAOYSA-N 0 3 348.487 3.112 20 10 EGCDHN Cc1cc(O)c(CNc2cc(C(N)=O)ccc2CN(C)C)cc1Cl ZINC000825026464 1320305397 /nfs/dbraw/zinc/30/53/97/1320305397.db2.gz IPHGBHXBBMESAW-UHFFFAOYSA-N 0 3 347.846 3.127 20 10 EGCDHN C[N@@H+]1CCC[C@@]2(CCN(Cc3ccc(Br)cc3[O-])C2)C1 ZINC000826016078 1320378045 /nfs/dbraw/zinc/37/80/45/1320378045.db2.gz GTJJTYRTIUDBGH-MRXNPFEDSA-N 0 3 339.277 3.072 20 10 EGCDHN C[N@H+]1CCC[C@@]2(CCN(Cc3ccc(Br)cc3[O-])C2)C1 ZINC000826016078 1320378050 /nfs/dbraw/zinc/37/80/50/1320378050.db2.gz GTJJTYRTIUDBGH-MRXNPFEDSA-N 0 3 339.277 3.072 20 10 EGCDHN CN(Cc1ccc(N(C)Cc2cccs2)cc1)C[C@H]1COCCO1 ZINC000827139568 1320429243 /nfs/dbraw/zinc/42/92/43/1320429243.db2.gz CHDBEQXBWICPQI-SFHVURJKSA-N 0 3 346.496 3.232 20 10 EGCDHN Cc1cc(CN2CCC[C@H]2C(=O)N(C)C)ccc1N1CCCCC1 ZINC000827372975 1320448648 /nfs/dbraw/zinc/44/86/48/1320448648.db2.gz FXMSDHUUBYOCOO-IBGZPJMESA-N 0 3 329.488 3.038 20 10 EGCDHN NC(=O)OC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000840862953 1321164542 /nfs/dbraw/zinc/16/45/42/1321164542.db2.gz CSQSBDRZAGNXOF-JKSUJKDBSA-N 0 3 326.396 3.090 20 10 EGCDHN C[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1=O)c1cc(F)ccc1[O-] ZINC000840882401 1321169537 /nfs/dbraw/zinc/16/95/37/1321169537.db2.gz NUIHIWPQEYXTCN-BDJLRTHQSA-N 0 3 332.350 3.127 20 10 EGCDHN COc1c([O-])c(CNc2ccc(C[NH+](C)C)cc2F)ccc1[N+](=O)[O-] ZINC000840958552 1321186354 /nfs/dbraw/zinc/18/63/54/1321186354.db2.gz SGCKEQOYFVMUAP-UHFFFAOYSA-N 0 3 349.362 3.122 20 10 EGCDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(N)cc1 ZINC000841301382 1321250014 /nfs/dbraw/zinc/25/00/14/1321250014.db2.gz NBYSJHUOBWISAI-UHFFFAOYSA-N 0 3 330.407 3.004 20 10 EGCDHN Cc1cc(Br)c([O-])c(CN2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000843052544 1321462285 /nfs/dbraw/zinc/46/22/85/1321462285.db2.gz VNABLLHUOSFTPM-VXGBXAGGSA-N 0 3 327.266 3.022 20 10 EGCDHN Cc1cc(Br)c([O-])c(CN2CCCC[C@@H]2CC[NH3+])c1 ZINC000843123486 1321473442 /nfs/dbraw/zinc/47/34/42/1321473442.db2.gz KLTWHSINXMHCBZ-CYBMUJFWSA-N 0 3 327.266 3.166 20 10 EGCDHN C[C@H](c1ccccc1)[N@H+](CC[C@@H]1CCNC1=O)Cc1ccccc1[O-] ZINC000846839910 1321814812 /nfs/dbraw/zinc/81/48/12/1321814812.db2.gz HUJVRCVVPWWSEZ-AEFFLSMTSA-N 0 3 338.451 3.482 20 10 EGCDHN C[C@H](c1ccccc1)[N@@H+](CC[C@@H]1CCNC1=O)Cc1ccccc1[O-] ZINC000846839910 1321814815 /nfs/dbraw/zinc/81/48/15/1321814815.db2.gz HUJVRCVVPWWSEZ-AEFFLSMTSA-N 0 3 338.451 3.482 20 10 EGCDHN Oc1cc2c(cc1CNC[C@@H](OC1CCCC1)C(F)(F)F)OCO2 ZINC000850356393 1322233849 /nfs/dbraw/zinc/23/38/49/1322233849.db2.gz VQJZWIUWGRJJOB-OAHLLOKOSA-N 0 3 347.333 3.101 20 10 EGCDHN O=C1OCCN1c1ccc(CNCc2ccc3c(c2)CCCO3)cc1 ZINC000921985848 1322434796 /nfs/dbraw/zinc/43/47/96/1322434796.db2.gz CJCYITWELFOJJU-UHFFFAOYSA-N 0 3 338.407 3.258 20 10 EGCDHN COc1ccc(N2CCCN(Cc3cnc4ccccc4n3)CC2)cc1 ZINC000851733488 1323075393 /nfs/dbraw/zinc/07/53/93/1323075393.db2.gz XBKAQRVIWRELQV-UHFFFAOYSA-N 0 3 348.450 3.351 20 10 EGCDHN C[C@@H](NCC(=O)Nc1ccc(Cl)nc1)c1ccc(N(C)C)cc1 ZINC000851949991 1323120983 /nfs/dbraw/zinc/12/09/83/1323120983.db2.gz LCXDDOQUMNDPTQ-GFCCVEGCSA-N 0 3 332.835 3.090 20 10 EGCDHN C[NH+](C)[C@@H]1CCCN(Cc2c([O-])cccc2Br)CC1 ZINC000862347055 1329476402 /nfs/dbraw/zinc/47/64/02/1329476402.db2.gz KUMZNHIRFWHUPM-GFCCVEGCSA-N 0 3 327.266 3.071 20 10 EGCDHN CC[N@H+](CCn1cccn1)Cc1cc(Br)cc(C)c1[O-] ZINC001233109655 1376571273 /nfs/dbraw/zinc/57/12/73/1376571273.db2.gz FFIYRQWMUKETBS-UHFFFAOYSA-N 0 3 338.249 3.182 20 10 EGCDHN CC[N@@H+](CCn1cccn1)Cc1cc(Br)cc(C)c1[O-] ZINC001233109655 1376571278 /nfs/dbraw/zinc/57/12/78/1376571278.db2.gz FFIYRQWMUKETBS-UHFFFAOYSA-N 0 3 338.249 3.182 20 10 EGCDHN COc1cccc(CN2CCN(C3(c4ccccc4)CC3)CC2)c1O ZINC001203599930 1370183849 /nfs/dbraw/zinc/18/38/49/1370183849.db2.gz ORGZOLIOGPLCEW-UHFFFAOYSA-N 0 3 338.451 3.208 20 10 EGCDHN CCOc1cccc(CN2CCCC[C@](O)(C(F)(F)F)C2)c1O ZINC001203603217 1370184794 /nfs/dbraw/zinc/18/47/94/1370184794.db2.gz KUZIZSLTTMDVMH-OAHLLOKOSA-N 0 3 333.350 3.070 20 10 EGCDHN CCOC(=O)CC[N@H+](Cc1ccccc1)Cc1ccc(OC)cc1[O-] ZINC001203621348 1370190399 /nfs/dbraw/zinc/19/03/99/1370190399.db2.gz BEEOFATVXSLLDI-UHFFFAOYSA-N 0 3 343.423 3.356 20 10 EGCDHN CCOC(=O)CC[N@@H+](Cc1ccccc1)Cc1ccc(OC)cc1[O-] ZINC001203621348 1370190402 /nfs/dbraw/zinc/19/04/02/1370190402.db2.gz BEEOFATVXSLLDI-UHFFFAOYSA-N 0 3 343.423 3.356 20 10 EGCDHN Cn1c2ccccc2nc1C1CC[NH+](Cc2ccc(O)cc2[O-])CC1 ZINC001204278900 1370430661 /nfs/dbraw/zinc/43/06/61/1370430661.db2.gz MMEOIWRTELGFHH-UHFFFAOYSA-N 0 3 337.423 3.364 20 10 EGCDHN c1cnc(O[C@@H]2CCCN(Cc3ccc(N4CCCC4)cc3)C2)nc1 ZINC001204329379 1370445393 /nfs/dbraw/zinc/44/53/93/1370445393.db2.gz ORNWNMRAGDRZTL-LJQANCHMSA-N 0 3 338.455 3.120 20 10 EGCDHN COC[C@H]1CCCCN1Cc1c(Br)ccc(OC)c1O ZINC001231550608 1376261165 /nfs/dbraw/zinc/26/11/65/1376261165.db2.gz NGEIWAJYZGUXIL-LLVKDONJSA-N 0 3 344.249 3.164 20 10 EGCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](Oc3cnccn3)C2)cc1Cl ZINC001231872218 1376332746 /nfs/dbraw/zinc/33/27/46/1376332746.db2.gz XTTNHVINVYQRAN-CQSZACIVSA-N 0 3 333.819 3.187 20 10 EGCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](Oc3cnccn3)C2)cc1Cl ZINC001231872218 1376332754 /nfs/dbraw/zinc/33/27/54/1376332754.db2.gz XTTNHVINVYQRAN-CQSZACIVSA-N 0 3 333.819 3.187 20 10 EGCDHN COc1ccc(N2CCN(Cc3cccc4c[nH]nc43)CC2)c(C)c1 ZINC001231975406 1376368010 /nfs/dbraw/zinc/36/80/10/1376368010.db2.gz OFYGKRRUBWSSRA-UHFFFAOYSA-N 0 3 336.439 3.202 20 10 EGCDHN COC(=O)c1cccc2c(C[N@@H+]3CCc4cccc([O-])c4C3)c[nH]c21 ZINC001232711458 1376507126 /nfs/dbraw/zinc/50/71/26/1376507126.db2.gz ODYHNGIETYKRBG-UHFFFAOYSA-N 0 3 336.391 3.218 20 10 EGCDHN COC(=O)c1cccc2c(C[N@H+]3CCc4cccc([O-])c4C3)c[nH]c21 ZINC001232711458 1376507128 /nfs/dbraw/zinc/50/71/28/1376507128.db2.gz ODYHNGIETYKRBG-UHFFFAOYSA-N 0 3 336.391 3.218 20 10 EGCDHN [O-]c1c(C[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)ccc(F)c1F ZINC001233076978 1376563275 /nfs/dbraw/zinc/56/32/75/1376563275.db2.gz BHIVZXHVEBHAGC-CALCHBBNSA-N 0 3 344.405 3.234 20 10 EGCDHN [O-]c1c(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)ccc(F)c1F ZINC001233076978 1376563279 /nfs/dbraw/zinc/56/32/79/1376563279.db2.gz BHIVZXHVEBHAGC-CALCHBBNSA-N 0 3 344.405 3.234 20 10 EGCDHN [O-]c1c(CN2CCN(c3cc[nH+]cc3)CC2)cccc1C(F)(F)F ZINC001233416154 1376641104 /nfs/dbraw/zinc/64/11/04/1376641104.db2.gz YBUUYKOCBAKQHN-UHFFFAOYSA-N 0 3 337.345 3.128 20 10 EGCDHN CC[N@H+](Cc1ccc(C(=O)OC)c(OC)c1)Cc1ccccc1[O-] ZINC001233534466 1376663785 /nfs/dbraw/zinc/66/37/85/1376663785.db2.gz SIEUESPZWFWPAV-UHFFFAOYSA-N 0 3 329.396 3.210 20 10 EGCDHN CC[N@@H+](Cc1ccc(C(=O)OC)c(OC)c1)Cc1ccccc1[O-] ZINC001233534466 1376663790 /nfs/dbraw/zinc/66/37/90/1376663790.db2.gz SIEUESPZWFWPAV-UHFFFAOYSA-N 0 3 329.396 3.210 20 10 EGCDHN CC(C)(C)OC(=O)N1CCOc2cc([O-])c(C[NH+]3CCCC3)cc2C1 ZINC001236844197 1376967226 /nfs/dbraw/zinc/96/72/26/1376967226.db2.gz WLDRBBSKBQAAGP-UHFFFAOYSA-N 0 3 348.443 3.118 20 10 EGCDHN Cc1cc([O-])c(C[N@@H+]2CCCC[C@](C)(O)C2)cc1Br ZINC001237675689 1376982919 /nfs/dbraw/zinc/98/29/19/1376982919.db2.gz AEFHYYFEQBOFNG-HNNXBMFYSA-N 0 3 328.250 3.200 20 10 EGCDHN Cc1cc([O-])c(C[N@H+]2CCCC[C@](C)(O)C2)cc1Br ZINC001237675689 1376982928 /nfs/dbraw/zinc/98/29/28/1376982928.db2.gz AEFHYYFEQBOFNG-HNNXBMFYSA-N 0 3 328.250 3.200 20 10 EGCDHN Cc1ccc(CN2C[C@@H]3C[NH+](Cc4cccc(F)c4[O-])C[C@H]3C2)cc1 ZINC001138124959 1377680685 /nfs/dbraw/zinc/68/06/85/1377680685.db2.gz FOJNUICENBJVBD-RTBURBONSA-N 0 3 340.442 3.404 20 10 EGCDHN Cc1c(CN2CCN(c3cc(C)nc(C)n3)CC2)c2ccccc2n1C ZINC001138257053 1377694914 /nfs/dbraw/zinc/69/49/14/1377694914.db2.gz UHGYOVGGEDLRGH-UHFFFAOYSA-N 0 3 349.482 3.216 20 10 EGCDHN CN1CCCc2cc(CN3CCC[C@@](O)(C(F)(F)F)CC3)ccc21 ZINC001138354216 1377708507 /nfs/dbraw/zinc/70/85/07/1377708507.db2.gz BDRUXPNBYVGJTD-KRWDZBQOSA-N 0 3 342.405 3.348 20 10 EGCDHN CCN(CC)c1ccc(CN2C[C@@H](C(=O)OC)CC[C@H]2C)c(OC)c1 ZINC001138389839 1377714279 /nfs/dbraw/zinc/71/42/79/1377714279.db2.gz MRLQPDVNEUBCNQ-WBVHZDCISA-N 0 3 348.487 3.315 20 10 EGCDHN CN(CCC(=O)c1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC001138499094 1377733440 /nfs/dbraw/zinc/73/34/40/1377733440.db2.gz VSTKJLIHTCCSFH-UHFFFAOYSA-N 0 3 338.451 3.228 20 10 EGCDHN CN(CCC(=O)c1cccs1)Cc1ccc(N2CCOCC2)cc1 ZINC001138499184 1377733492 /nfs/dbraw/zinc/73/34/92/1377733492.db2.gz CBCUYDFNDZINAF-UHFFFAOYSA-N 0 3 344.480 3.290 20 10 EGCDHN CCC[C@H](COC)[N@H+](CCC(=O)OCC)Cc1cc(F)ccc1[O-] ZINC001140060137 1377998437 /nfs/dbraw/zinc/99/84/37/1377998437.db2.gz MDNQXMZWTPVWQP-MRXNPFEDSA-N 0 3 341.423 3.102 20 10 EGCDHN CCC[C@H](COC)[N@@H+](CCC(=O)OCC)Cc1cc(F)ccc1[O-] ZINC001140060137 1377998438 /nfs/dbraw/zinc/99/84/38/1377998438.db2.gz MDNQXMZWTPVWQP-MRXNPFEDSA-N 0 3 341.423 3.102 20 10 EGCDHN O=C1Nc2ccccc2C12CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001140063714 1377999946 /nfs/dbraw/zinc/99/99/46/1377999946.db2.gz WTHLKCBMUVWERN-UHFFFAOYSA-N 0 3 326.371 3.017 20 10 EGCDHN [O-]c1cccc(Cl)c1CN1CC[C@H]([NH+]2CCCCC2)[C@@H](F)C1 ZINC001140342290 1378050162 /nfs/dbraw/zinc/05/01/62/1378050162.db2.gz BXWJEMSNBDNSDL-HOTGVXAUSA-N 0 3 326.843 3.444 20 10 EGCDHN [O-]c1cc(Cl)ccc1C[NH+]1C[C@H]2CN(Cc3cccnc3)C[C@@H]2C1 ZINC001140462221 1378066463 /nfs/dbraw/zinc/06/64/63/1378066463.db2.gz AQABAINPQRQXFI-IAGOWNOFSA-N 0 3 343.858 3.004 20 10 EGCDHN [O-]c1cc(Cl)ccc1C[N@H+]1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001140462220 1378067329 /nfs/dbraw/zinc/06/73/29/1378067329.db2.gz AQABAINPQRQXFI-CALCHBBNSA-N 0 3 343.858 3.004 20 10 EGCDHN [O-]c1cc(Cl)ccc1C[N@@H+]1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001140462220 1378067334 /nfs/dbraw/zinc/06/73/34/1378067334.db2.gz AQABAINPQRQXFI-CALCHBBNSA-N 0 3 343.858 3.004 20 10 EGCDHN CC(C)=CCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001273285315 1378094282 /nfs/dbraw/zinc/09/42/82/1378094282.db2.gz QGEOKKZYRYEIPS-QGZVFWFLSA-N 0 3 346.446 3.216 20 10 EGCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c(OC)c1 ZINC001141028103 1378212393 /nfs/dbraw/zinc/21/23/93/1378212393.db2.gz BJYHAVWVAURTNS-INIZCTEOSA-N 0 3 327.424 3.474 20 10 EGCDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)c(OC)c1 ZINC001141028103 1378212397 /nfs/dbraw/zinc/21/23/97/1378212397.db2.gz BJYHAVWVAURTNS-INIZCTEOSA-N 0 3 327.424 3.474 20 10 EGCDHN CN1CCOc2cc(CN3CCC[C@H]3CC(=O)OC(C)(C)C)ccc21 ZINC001141144474 1378248328 /nfs/dbraw/zinc/24/83/28/1378248328.db2.gz FVUXBHGDLMMZIC-INIZCTEOSA-N 0 3 346.471 3.211 20 10 EGCDHN COc1ccc(CN[C@@H]2C[C@@H](C)c3c2c(O)ccc3C)c(OC)n1 ZINC001327532297 1388553349 /nfs/dbraw/zinc/55/33/49/1388553349.db2.gz JTCZAAPXYUVSOB-TZMCWYRMSA-N 0 3 328.412 3.451 20 10 EGCDHN Cc1cc2nccn2cc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC001167434879 1383633520 /nfs/dbraw/zinc/63/35/20/1383633520.db2.gz XNGDOCSAVGSASH-UHFFFAOYSA-N 0 3 335.455 3.007 20 10 EGCDHN Cc1n[nH]c(=O)c(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])c1C ZINC001320070465 1386490096 /nfs/dbraw/zinc/49/00/96/1386490096.db2.gz JZMDMYYPYBWJPK-UHFFFAOYSA-N 0 3 335.407 3.461 20 10 EGCDHN C[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001594227278 998871691 /nfs/dbraw/zinc/87/16/91/998871691.db2.gz ZUWONUCVWMWUIZ-XHSDSOJGSA-N 0 3 348.487 3.499 20 10 EGCDHN C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001594227278 998871695 /nfs/dbraw/zinc/87/16/95/998871695.db2.gz ZUWONUCVWMWUIZ-XHSDSOJGSA-N 0 3 348.487 3.499 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+][C@@H](CO)Cc2ccc(C)c(C)c2)c1[O-] ZINC000835075626 1126111664 /nfs/dbraw/zinc/11/16/64/1126111664.db2.gz ZHOAHNAZVPUAIU-QGZVFWFLSA-N 0 3 349.858 3.364 20 10 EGCDHN C[C@H](O)[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000183169718 455242861 /nfs/dbraw/zinc/24/28/61/455242861.db2.gz HFKDXNBJTRABFL-RDJZCZTQSA-N 0 3 327.424 3.174 20 10 EGCDHN C[C@H](O)[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000183169718 455242864 /nfs/dbraw/zinc/24/28/64/455242864.db2.gz HFKDXNBJTRABFL-RDJZCZTQSA-N 0 3 327.424 3.174 20 10 EGCDHN CCOCc1cc(CNC[C@](C)(O)c2ccsc2)ccc1OC ZINC000077460521 454108573 /nfs/dbraw/zinc/10/85/73/454108573.db2.gz WBVSYTFALFLLQG-SFHVURJKSA-N 0 3 335.469 3.291 20 10 EGCDHN COc1cccc(C[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)c1[O-] ZINC000093336928 454703712 /nfs/dbraw/zinc/70/37/12/454703712.db2.gz FYGWETQXSZFAPW-SFHVURJKSA-N 0 3 340.467 3.355 20 10 EGCDHN COc1cccc(C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)c1[O-] ZINC000093336928 454703716 /nfs/dbraw/zinc/70/37/16/454703716.db2.gz FYGWETQXSZFAPW-SFHVURJKSA-N 0 3 340.467 3.355 20 10 EGCDHN CCOc1ccc([O-])c(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c1 ZINC000093842445 454739812 /nfs/dbraw/zinc/73/98/12/454739812.db2.gz VMGOXAYURUKDLI-LJQANCHMSA-N 0 3 349.471 3.341 20 10 EGCDHN CCOc1ccccc1NC(=O)CC[N@H+](C)Cc1ccccc1[O-] ZINC000137278833 454774457 /nfs/dbraw/zinc/77/44/57/454774457.db2.gz MFOWXQATIQLYJK-UHFFFAOYSA-N 0 3 328.412 3.252 20 10 EGCDHN CCOc1ccccc1NC(=O)CC[N@@H+](C)Cc1ccccc1[O-] ZINC000137278833 454774459 /nfs/dbraw/zinc/77/44/59/454774459.db2.gz MFOWXQATIQLYJK-UHFFFAOYSA-N 0 3 328.412 3.252 20 10 EGCDHN C[C@@H]([NH2+]C1CCN(C2CC2)CC1)c1cc(Br)ccc1[O-] ZINC000184912881 455471697 /nfs/dbraw/zinc/47/16/97/455471697.db2.gz DWXXGMVBPIGBQC-LLVKDONJSA-N 0 3 339.277 3.432 20 10 EGCDHN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)NCc1ccccc1 ZINC000177943206 454921113 /nfs/dbraw/zinc/92/11/13/454921113.db2.gz BHIDODJTUNQGHU-JKSUJKDBSA-N 0 3 325.456 3.108 20 10 EGCDHN CCCOc1ccc(CN[C@H](C[S@](C)=O)c2ccccc2)c(O)c1 ZINC000154716319 454922663 /nfs/dbraw/zinc/92/26/63/454922663.db2.gz QFMLLRFAIKNOSB-HOYKHHGWSA-N 0 3 347.480 3.390 20 10 EGCDHN Cc1cc(C(=O)NC2CC[NH+](Cc3cc(F)ccc3[O-])CC2)c(C)o1 ZINC000180063599 455125234 /nfs/dbraw/zinc/12/52/34/455125234.db2.gz PLUBHTZBFAQYHN-UHFFFAOYSA-N 0 3 346.402 3.136 20 10 EGCDHN CCCOc1ccc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)c([O-])c1 ZINC000180130061 455137011 /nfs/dbraw/zinc/13/70/11/455137011.db2.gz UKJOEQABSLBSAB-QGZVFWFLSA-N 0 3 329.444 3.351 20 10 EGCDHN CCCOc1ccc(C[N@H+]2CCC[C@@H]2Cn2ccnc2C)c([O-])c1 ZINC000180130061 455137016 /nfs/dbraw/zinc/13/70/16/455137016.db2.gz UKJOEQABSLBSAB-QGZVFWFLSA-N 0 3 329.444 3.351 20 10 EGCDHN COc1ccc(N2CCCN(CCc3scnc3C)CC2)cc1 ZINC000172528151 455160556 /nfs/dbraw/zinc/16/05/56/455160556.db2.gz DUGFMIQIWRIFOQ-UHFFFAOYSA-N 0 3 331.485 3.215 20 10 EGCDHN CCN(C)C(=O)[C@H](C)N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000189406399 455191364 /nfs/dbraw/zinc/19/13/64/455191364.db2.gz KOFAPPPSYVXMAU-GJZGRUSLSA-N 0 3 335.467 3.333 20 10 EGCDHN C[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1[O-] ZINC000183442458 455293321 /nfs/dbraw/zinc/29/33/21/455293321.db2.gz GXINFBKAAZGUPP-MRXNPFEDSA-N 0 3 340.467 3.452 20 10 EGCDHN CCCOc1ccc(C[NH2+]C[C@@](C)(O)c2cc(C)oc2C)c([O-])c1 ZINC000266160816 455423780 /nfs/dbraw/zinc/42/37/80/455423780.db2.gz NNQZOAGCGZAKDM-LJQANCHMSA-N 0 3 333.428 3.388 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]Cc2cccc(CN3CCOCC3)c2)c([O-])c1 ZINC000185063399 455493655 /nfs/dbraw/zinc/49/36/55/455493655.db2.gz YCEHZLGECKZMNG-QGZVFWFLSA-N 0 3 340.467 3.384 20 10 EGCDHN C[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1)c1ccccc1[O-] ZINC000191836080 455524589 /nfs/dbraw/zinc/52/45/89/455524589.db2.gz USUNDLOVQRIQNW-MJGOQNOKSA-N 0 3 340.467 3.334 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]CCNC(=O)c2ccccc2Cl)c([O-])c1 ZINC000185446629 455559432 /nfs/dbraw/zinc/55/94/32/455559432.db2.gz PADIVFVZSASWCJ-ZDUSSCGKSA-N 0 3 332.831 3.435 20 10 EGCDHN C[C@@H]([NH2+]CCNc1nccc(C(F)(F)F)n1)c1cc(F)ccc1[O-] ZINC000185498979 455568716 /nfs/dbraw/zinc/56/87/16/455568716.db2.gz DYRPFZZZDRSJTB-SECBINFHSA-N 0 3 344.312 3.103 20 10 EGCDHN COc1ccc([C@@H](CN(C)C)NCc2cc(C)c(C)cc2O)cc1 ZINC000283933026 455613363 /nfs/dbraw/zinc/61/33/63/455613363.db2.gz JIUARRZQHSOZGO-LJQANCHMSA-N 0 3 328.456 3.410 20 10 EGCDHN CCOC1CC(O)(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000277656687 455625924 /nfs/dbraw/zinc/62/59/24/455625924.db2.gz GFHUGLWNKKTQGO-UHFFFAOYSA-N 0 3 327.424 3.079 20 10 EGCDHN C[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1cc(F)ccc1[O-] ZINC000185870518 455638538 /nfs/dbraw/zinc/63/85/38/455638538.db2.gz HNQPEYWWBJMJGU-AWEZNQCLSA-N 0 3 329.419 3.494 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000185979791 455667459 /nfs/dbraw/zinc/66/74/59/455667459.db2.gz KPCKOUMHRHVABJ-STQMWFEESA-N 0 3 338.448 3.355 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]CCNC(=O)c2c(F)cccc2F)c([O-])c1 ZINC000186025022 455678570 /nfs/dbraw/zinc/67/85/70/455678570.db2.gz FSVJQPQGBLZGET-LBPRGKRZSA-N 0 3 334.366 3.059 20 10 EGCDHN C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O)c1cc(F)ccc1[O-] ZINC000186195693 455714155 /nfs/dbraw/zinc/71/41/55/455714155.db2.gz BCUHCCKBCSYHBX-KBXCAEBGSA-N 0 3 342.414 3.373 20 10 EGCDHN Cc1cccc(C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)c1[O-] ZINC000271735225 455739609 /nfs/dbraw/zinc/73/96/09/455739609.db2.gz OHDMOZUWWGICEY-UHFFFAOYSA-N 0 3 330.472 3.362 20 10 EGCDHN COc1cc([O-])c(C[NH2+][C@@H](C)[C@H]2OCCc3sccc32)cc1OC ZINC000292745555 455746316 /nfs/dbraw/zinc/74/63/16/455746316.db2.gz HXDFFHBJYWUGDR-BBATYDOGSA-N 0 3 349.452 3.263 20 10 EGCDHN Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1[O-] ZINC000271841921 455783976 /nfs/dbraw/zinc/78/39/76/455783976.db2.gz QKZJUVZRFGPSED-GDBMZVCRSA-N 0 3 334.460 3.436 20 10 EGCDHN Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1[O-] ZINC000271841921 455783978 /nfs/dbraw/zinc/78/39/78/455783978.db2.gz QKZJUVZRFGPSED-GDBMZVCRSA-N 0 3 334.460 3.436 20 10 EGCDHN CCN(Cc1ccc(OC)c(OC)c1)Cc1cc(OC)ccc1O ZINC000271862462 455791370 /nfs/dbraw/zinc/79/13/70/455791370.db2.gz ZGQJSACOBYTNLZ-UHFFFAOYSA-N 0 3 331.412 3.440 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@H]2C[C@@H](C)O)c1[O-] ZINC000271902593 455798532 /nfs/dbraw/zinc/79/85/32/455798532.db2.gz ZPBJJGCUMYPPLJ-RISCZKNCSA-N 0 3 328.250 3.198 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)c1[O-] ZINC000271902593 455798536 /nfs/dbraw/zinc/79/85/36/455798536.db2.gz ZPBJJGCUMYPPLJ-RISCZKNCSA-N 0 3 328.250 3.198 20 10 EGCDHN COC1CCN(c2ccc(CN(C)CCc3nccs3)cc2)CC1 ZINC000295002646 455835887 /nfs/dbraw/zinc/83/58/87/455835887.db2.gz RSLPKKNIQMSODJ-UHFFFAOYSA-N 0 3 345.512 3.433 20 10 EGCDHN COCCSCCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000278533236 455839140 /nfs/dbraw/zinc/83/91/40/455839140.db2.gz QUKFJDPBQKZAQN-QGZVFWFLSA-N 0 3 339.501 3.143 20 10 EGCDHN COCCSCCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000278533236 455839144 /nfs/dbraw/zinc/83/91/44/455839144.db2.gz QUKFJDPBQKZAQN-QGZVFWFLSA-N 0 3 339.501 3.143 20 10 EGCDHN CCOc1ccc([O-])c(C[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)c1 ZINC000278782297 455848162 /nfs/dbraw/zinc/84/81/62/455848162.db2.gz PVJZUXRBBPKKOZ-KRWDZBQOSA-N 0 3 339.794 3.407 20 10 EGCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269674857 455851090 /nfs/dbraw/zinc/85/10/90/455851090.db2.gz VUVWVDFXTDTGNQ-SFHVURJKSA-N 0 3 330.384 3.246 20 10 EGCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269674857 455851094 /nfs/dbraw/zinc/85/10/94/455851094.db2.gz VUVWVDFXTDTGNQ-SFHVURJKSA-N 0 3 330.384 3.246 20 10 EGCDHN CC(C)Oc1cccc([C@H](O)C[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000295787585 455859717 /nfs/dbraw/zinc/85/97/17/455859717.db2.gz ACCRWQBJMFBFHI-PKOBYXMFSA-N 0 3 327.424 3.490 20 10 EGCDHN CC(C)(C)OC(=O)N1CC=C(CC[NH2+]Cc2ccccc2[O-])CC1 ZINC000279895362 455876569 /nfs/dbraw/zinc/87/65/69/455876569.db2.gz VPQJWJCDIKDJNY-UHFFFAOYSA-N 0 3 332.444 3.439 20 10 EGCDHN CS[C@H](CO)[C@@H](C)[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000187230951 455884414 /nfs/dbraw/zinc/88/44/14/455884414.db2.gz HIKVDNAIJINYGZ-GIPNMCIBSA-N 0 3 348.306 3.226 20 10 EGCDHN C[C@H](CO[C@H]1CCOC1)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000280283796 455935566 /nfs/dbraw/zinc/93/55/66/455935566.db2.gz MYMLRFLCNZWNBG-DOMZBBRYSA-N 0 3 346.393 3.055 20 10 EGCDHN CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296690685 456010829 /nfs/dbraw/zinc/01/08/29/456010829.db2.gz HDKVKMDVPPAWKP-NVXWUHKLSA-N 0 3 345.464 3.222 20 10 EGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCCN2C(=O)c3ccccc3C2=O)c1 ZINC000287695229 456076397 /nfs/dbraw/zinc/07/63/97/456076397.db2.gz WXCOKMRERTUOON-AWEZNQCLSA-N 0 3 338.407 3.038 20 10 EGCDHN CCCN(Cc1ccccc1O)C(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000236733005 456175494 /nfs/dbraw/zinc/17/54/94/456175494.db2.gz ZJLTXCRDTDHIPL-DNVCBOLYSA-N 0 3 326.440 3.467 20 10 EGCDHN C[C@@H](CO)CCC[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000273141689 456191848 /nfs/dbraw/zinc/19/18/48/456191848.db2.gz FCBSLPSAZFDNIZ-MRXNPFEDSA-N 0 3 329.440 3.469 20 10 EGCDHN COC[C@@]1(C[NH2+][C@H]2CCc3cccc([O-])c32)OCCc2ccccc21 ZINC000297419333 456216754 /nfs/dbraw/zinc/21/67/54/456216754.db2.gz UNWUFARYYKICTI-GHTZIAJQSA-N 0 3 339.435 3.084 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)c([O-])c1 ZINC000273370835 456225031 /nfs/dbraw/zinc/22/50/31/456225031.db2.gz FZTBSYVZXWVVFZ-AWEZNQCLSA-N 0 3 333.453 3.096 20 10 EGCDHN COC(=O)Nc1ccc(CC[NH2+][C@@H](C)c2cc(OC)ccc2[O-])cc1 ZINC000273516657 456236543 /nfs/dbraw/zinc/23/65/43/456236543.db2.gz SOQUUIZQPJWJAC-ZDUSSCGKSA-N 0 3 344.411 3.472 20 10 EGCDHN COCCOCCC[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000275355935 456273283 /nfs/dbraw/zinc/27/32/83/456273283.db2.gz RTWQAQIAQNDAAJ-GFCCVEGCSA-N 0 3 346.265 3.167 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)CC[S@@](C)=O)c1[O-] ZINC000275372091 456274049 /nfs/dbraw/zinc/27/40/49/456274049.db2.gz VVXWCJYGBWMGSP-ZHYXMNDGSA-N 0 3 348.306 3.271 20 10 EGCDHN COc1cc(O)c(CN2CCC[C@@H]2c2c(C)n[nH]c2C)cc1OC ZINC000290326972 456293134 /nfs/dbraw/zinc/29/31/34/456293134.db2.gz DLPFHMUEMMQIEM-CQSZACIVSA-N 0 3 331.416 3.086 20 10 EGCDHN C[C@H]1CN(c2ccccc2C[N@H+](C)Cc2ccccc2[O-])CCO1 ZINC000297889913 456318450 /nfs/dbraw/zinc/31/84/50/456318450.db2.gz QWKWQCJTFXCQOR-INIZCTEOSA-N 0 3 326.440 3.249 20 10 EGCDHN C[C@H]1CN(c2ccccc2C[N@@H+](C)Cc2ccccc2[O-])CCO1 ZINC000297889913 456318456 /nfs/dbraw/zinc/31/84/56/456318456.db2.gz QWKWQCJTFXCQOR-INIZCTEOSA-N 0 3 326.440 3.249 20 10 EGCDHN Cc1c2ccccc2n(C)c1CNCc1ccc2c(c1)oc(=O)n2C ZINC000353252484 456588348 /nfs/dbraw/zinc/58/83/48/456588348.db2.gz IFACMHKNWNXYDZ-UHFFFAOYSA-N 0 3 335.407 3.221 20 10 EGCDHN COc1cc([O-])c(C[NH2+]C[C@@H]2CCC3(CCCCC3)O2)cc1OC ZINC000276813749 456588918 /nfs/dbraw/zinc/58/89/18/456588918.db2.gz OLOBVRSFVDXHRJ-HNNXBMFYSA-N 0 3 335.444 3.381 20 10 EGCDHN CCCCN(Cc1ccccc1O)C(=O)NC1CCN(C2CC2)CC1 ZINC000282867123 456649612 /nfs/dbraw/zinc/64/96/12/456649612.db2.gz UGRVFGQIEHATHV-UHFFFAOYSA-N 0 3 345.487 3.331 20 10 EGCDHN CCOc1cccc(C[NH2+]Cc2ccccc2-c2cnn(C)c2)c1[O-] ZINC000371174991 457817890 /nfs/dbraw/zinc/81/78/90/457817890.db2.gz YICZKEKLVHGNGB-UHFFFAOYSA-N 0 3 337.423 3.481 20 10 EGCDHN CN(C)c1ccc(CN2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cc1F ZINC000371465561 457946513 /nfs/dbraw/zinc/94/65/13/457946513.db2.gz FQKKWSQZUQKKEK-HNNXBMFYSA-N 0 3 343.450 3.267 20 10 EGCDHN CN(C)c1ccc(CN2CCC[C@H](Cc3nccn3C)C2)cc1F ZINC000371665165 458025590 /nfs/dbraw/zinc/02/55/90/458025590.db2.gz KXBHSOHKHWQPTK-OAHLLOKOSA-N 0 3 330.451 3.080 20 10 EGCDHN COc1cccc(CN2CCC(O)(Cc3ccccc3F)CC2)c1O ZINC000369669971 458310710 /nfs/dbraw/zinc/31/07/10/458310710.db2.gz HOQUESKEVQYIEG-UHFFFAOYSA-N 0 3 345.414 3.110 20 10 EGCDHN COc1cc(Cl)cc(C[NH+]2CCC([C@H]3CCOC3)CC2)c1[O-] ZINC000372946499 458356544 /nfs/dbraw/zinc/35/65/44/458356544.db2.gz OHWFMZUIVUNBHE-ZDUSSCGKSA-N 0 3 325.836 3.303 20 10 EGCDHN COC(=O)CC(C)(C)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000741255292 576669042 /nfs/dbraw/zinc/66/90/42/576669042.db2.gz QHBMMSCAUIMVCT-UHFFFAOYSA-N 0 3 349.431 3.016 20 10 EGCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000742246388 576762032 /nfs/dbraw/zinc/76/20/32/576762032.db2.gz ILBXABKVSDHGNV-IRXDYDNUSA-N 0 3 331.504 3.362 20 10 EGCDHN CCOC(=O)CC[N@H+](Cc1c([O-])ccc2ccc(OC)cc21)C1CC1 ZINC000745437971 576847983 /nfs/dbraw/zinc/84/79/83/576847983.db2.gz NXOGWTMYUKUVTO-UHFFFAOYSA-N 0 3 343.423 3.472 20 10 EGCDHN CCOC(=O)CC[N@@H+](Cc1c([O-])ccc2ccc(OC)cc21)C1CC1 ZINC000745437971 576847984 /nfs/dbraw/zinc/84/79/84/576847984.db2.gz NXOGWTMYUKUVTO-UHFFFAOYSA-N 0 3 343.423 3.472 20 10 EGCDHN [O-]c1cc(Br)ccc1CN1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000691498366 1298133748 /nfs/dbraw/zinc/13/37/48/1298133748.db2.gz SRGRSXMCYRIPFT-CABCVRRESA-N 0 3 339.277 3.261 20 10 EGCDHN Cc1ccccc1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000038635600 1291403962 /nfs/dbraw/zinc/40/39/62/1291403962.db2.gz ZORARFUQBCGSBG-IBGZPJMESA-N 0 3 340.471 3.485 20 10 EGCDHN CC[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccncc1 ZINC000834531328 1293111958 /nfs/dbraw/zinc/11/19/58/1293111958.db2.gz VZTKQEUNPWSLSA-IBGZPJMESA-N 0 3 343.446 3.423 20 10 EGCDHN C[C@H](C[NH2+][C@H]1CCc2cccc([O-])c21)N1CCc2sccc2C1 ZINC000834537751 1293113476 /nfs/dbraw/zinc/11/34/76/1293113476.db2.gz JEDPSONVXJGSIV-CJNGLKHVSA-N 0 3 328.481 3.477 20 10 EGCDHN CC[C@@H]([NH2+][C@@H](C)C(=O)NCCc1ccccc1)c1ccc(C)cc1[O-] ZINC000834896242 1293167477 /nfs/dbraw/zinc/16/74/77/1293167477.db2.gz IDNXJJXRDBGSPG-QFBILLFUSA-N 0 3 340.467 3.489 20 10 EGCDHN CC[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1)c1ccccc1[O-] ZINC000121096463 1293355913 /nfs/dbraw/zinc/35/59/13/1293355913.db2.gz FIDVBIPYPZMECN-QUCCMNQESA-N 0 3 340.467 3.334 20 10 EGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCS[C@H]4COCC[C@@H]43)c2c1 ZINC000131066098 1293678224 /nfs/dbraw/zinc/67/82/24/1293678224.db2.gz GRPPYQMIYFILPU-HKUYNNGSSA-N 0 3 345.464 3.260 20 10 EGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCS[C@H]4COCC[C@@H]43)c2c1 ZINC000131066098 1293678227 /nfs/dbraw/zinc/67/82/27/1293678227.db2.gz GRPPYQMIYFILPU-HKUYNNGSSA-N 0 3 345.464 3.260 20 10 EGCDHN CC[NH+](CC)[C@H]1CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000134062370 1293761226 /nfs/dbraw/zinc/76/12/26/1293761226.db2.gz NOSNBYRMICRRIB-AWEZNQCLSA-N 0 3 327.266 3.071 20 10 EGCDHN CN(C)c1ccc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)cn1 ZINC000160204165 1294262362 /nfs/dbraw/zinc/26/23/62/1294262362.db2.gz LKIMIIMKHRTJOK-SFHVURJKSA-N 0 3 341.455 3.034 20 10 EGCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCOC(C)(C)C2)c1[O-] ZINC000160467702 1294269161 /nfs/dbraw/zinc/26/91/61/1294269161.db2.gz AZOVXSQZKFMTBN-GFCCVEGCSA-N 0 3 344.249 3.211 20 10 EGCDHN CCc1cccc(NC(=O)CN[C@@H](C)c2cc(OC)ccc2O)c1 ZINC000182315019 1295034561 /nfs/dbraw/zinc/03/45/61/1295034561.db2.gz DLWNLVVZUUFHJB-ZDUSSCGKSA-N 0 3 328.412 3.253 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCc2cc(F)cc3c2OCOC3)c1 ZINC000182382602 1295042569 /nfs/dbraw/zinc/04/25/69/1295042569.db2.gz BFYUZFKDASYVRS-NSHDSACASA-N 0 3 333.359 3.257 20 10 EGCDHN COc1ccc(N2CCC(N[C@H](c3nccn3C)C3CC3)CC2)cc1 ZINC000183266239 1295108398 /nfs/dbraw/zinc/10/83/98/1295108398.db2.gz RKJMOMDSWSBYKZ-IBGZPJMESA-N 0 3 340.471 3.138 20 10 EGCDHN C[C@H]([NH2+]CCCN1CCN(c2ccccc2)CC1)c1ccccc1[O-] ZINC000183400741 1295117606 /nfs/dbraw/zinc/11/76/06/1295117606.db2.gz IEDLYANWHQUJRM-SFHVURJKSA-N 0 3 339.483 3.255 20 10 EGCDHN C[C@@H]([NH2+]C1CN(C(=O)OCc2ccccc2)C1)c1ccccc1[O-] ZINC000397237025 1297695378 /nfs/dbraw/zinc/69/53/78/1297695378.db2.gz JEAGUIPFAWJNSL-CQSZACIVSA-N 0 3 326.396 3.064 20 10 EGCDHN OC1CCN(c2ccc(CN3CCC[C@H]3c3ccccn3)cc2)CC1 ZINC000876585714 1298848779 /nfs/dbraw/zinc/84/87/79/1298848779.db2.gz UHFOBNMFNYMDEW-NRFANRHFSA-N 0 3 337.467 3.380 20 10 EGCDHN Cc1ccc(C[NH+]2CCC(CC(=O)NC3CCCC3)CC2)c([O-])c1 ZINC000876639543 1298888643 /nfs/dbraw/zinc/88/86/43/1298888643.db2.gz QPJNEZGCCLARDF-UHFFFAOYSA-N 0 3 330.472 3.362 20 10 EGCDHN CCOC(=O)c1ccc(CNCc2ccc(N(CC)CC)cc2)[nH]1 ZINC000876944497 1299079942 /nfs/dbraw/zinc/07/99/42/1299079942.db2.gz MQXHQCSKWASZBX-UHFFFAOYSA-N 0 3 329.444 3.327 20 10 EGCDHN Oc1cccc2c1CC[C@H]2NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877024297 1299117596 /nfs/dbraw/zinc/11/75/96/1299117596.db2.gz YMJXOBADXIQLIY-HXUWFJFHSA-N 0 3 338.451 3.130 20 10 EGCDHN Cc1ccc(C(C)(C)NCc2ccc(N3CCC(O)CC3)cc2)cn1 ZINC000877349470 1299256395 /nfs/dbraw/zinc/25/63/95/1299256395.db2.gz JHSXSBRSNOWMRK-UHFFFAOYSA-N 0 3 339.483 3.376 20 10 EGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H]([C@H]4CCOC4)C3)c2c1 ZINC000749799230 1299274431 /nfs/dbraw/zinc/27/44/31/1299274431.db2.gz VDPNRWFQAHJGHQ-HOTGVXAUSA-N 0 3 327.424 3.412 20 10 EGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H]([C@H]4CCOC4)C3)c2c1 ZINC000749799230 1299274442 /nfs/dbraw/zinc/27/44/42/1299274442.db2.gz VDPNRWFQAHJGHQ-HOTGVXAUSA-N 0 3 327.424 3.412 20 10 EGCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000877503148 1299352237 /nfs/dbraw/zinc/35/22/37/1299352237.db2.gz CLSISZLXQHRBMU-GOSISDBHSA-N 0 3 338.451 3.024 20 10 EGCDHN OC1CCN(c2ccc(CN3CCC[C@@H]3c3cccnc3)cc2)CC1 ZINC000877524389 1299368810 /nfs/dbraw/zinc/36/88/10/1299368810.db2.gz WJRBFRSDPNUQKA-OAQYLSRUSA-N 0 3 337.467 3.380 20 10 EGCDHN CCN(CC)[C@@H](CNC(=O)c1ccc(C)c(O)c1O)c1ccsc1 ZINC000751532952 1299564465 /nfs/dbraw/zinc/56/44/65/1299564465.db2.gz IFDVTJZMTXXXKB-HNNXBMFYSA-N 0 3 348.468 3.281 20 10 EGCDHN COCC(C)(C)C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000755196744 1300298037 /nfs/dbraw/zinc/29/80/37/1300298037.db2.gz YBSQMYWPDFYQEU-MRXNPFEDSA-N 0 3 340.895 3.272 20 10 EGCDHN C[C@@H](NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756418358 1300487394 /nfs/dbraw/zinc/48/73/94/1300487394.db2.gz ARROYLMNFDWBOH-QLFBSQMISA-N 0 3 335.448 3.319 20 10 EGCDHN C[C@@H](NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756418358 1300487398 /nfs/dbraw/zinc/48/73/98/1300487398.db2.gz ARROYLMNFDWBOH-QLFBSQMISA-N 0 3 335.448 3.319 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+]C2CCN(C[C@H]3CCCO3)CC2)c2c1c(F)ccc2[O-] ZINC000756570829 1300523978 /nfs/dbraw/zinc/52/39/78/1300523978.db2.gz BNGKLXWKNIMSKG-FRFSOERESA-N 0 3 348.462 3.313 20 10 EGCDHN CCN(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879647679 1300647435 /nfs/dbraw/zinc/64/74/35/1300647435.db2.gz IDEOKYKEINNCRX-CVEARBPZSA-N 0 3 326.440 3.480 20 10 EGCDHN CCc1ccc([C@@H](C)NC(=O)C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000879647437 1300647790 /nfs/dbraw/zinc/64/77/90/1300647790.db2.gz CFCPLWCNFFLMOG-HUUCEWRRSA-N 0 3 326.440 3.483 20 10 EGCDHN COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648531 1300647883 /nfs/dbraw/zinc/64/78/83/1300647883.db2.gz SJDKKWYGAUZXIB-KGLIPLIRSA-N 0 3 328.412 3.387 20 10 EGCDHN CCOc1ccccc1NC(=O)CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649254 1300649159 /nfs/dbraw/zinc/64/91/59/1300649159.db2.gz MBODPBNDSFZCAP-CQSZACIVSA-N 0 3 328.412 3.470 20 10 EGCDHN C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1)c1ccccc1[O-] ZINC000879649358 1300649406 /nfs/dbraw/zinc/64/94/06/1300649406.db2.gz QYZWGYGFAVVJMH-MJBXVCDLSA-N 0 3 330.403 3.448 20 10 EGCDHN [O-]c1ccccc1C[NH2+]C[C@H]1CSCCN1Cc1ccccc1 ZINC000758497321 1300899181 /nfs/dbraw/zinc/89/91/81/1300899181.db2.gz ZTQZUKHVRXVGIZ-SFHVURJKSA-N 0 3 328.481 3.099 20 10 EGCDHN CCOc1ccc(C[NH2+]Cc2ccccc2-c2cnn(C)c2)c([O-])c1 ZINC000758552556 1300910658 /nfs/dbraw/zinc/91/06/58/1300910658.db2.gz DMXZMJZAHSJRPX-UHFFFAOYSA-N 0 3 337.423 3.481 20 10 EGCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCC(F)(F)C2)c1[O-] ZINC000763521245 1301919224 /nfs/dbraw/zinc/91/92/24/1301919224.db2.gz LUEPFFXJIVETFB-SNVBAGLBSA-N 0 3 336.176 3.441 20 10 EGCDHN C[C@H](NCCOCC1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765867288 1302342047 /nfs/dbraw/zinc/34/20/47/1302342047.db2.gz LTQHNZCQGZRELF-AWEZNQCLSA-N 0 3 338.879 3.254 20 10 EGCDHN COc1cccc(CN(C)Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000768164341 1302842923 /nfs/dbraw/zinc/84/29/23/1302842923.db2.gz YCMQMYUYHNUWNW-UHFFFAOYSA-N 0 3 344.430 3.303 20 10 EGCDHN [O-]c1cc2c(cc1C[NH+]1CCC(c3ccccc3)CC1)[C@@H](O)CO2 ZINC000768442651 1302904099 /nfs/dbraw/zinc/90/40/99/1302904099.db2.gz YERCSSKHOUVQIL-IBGZPJMESA-N 0 3 325.408 3.198 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+](C1CC1)[C@@H]1CCc3ccccc31)[C@H](O)CO2 ZINC000768444987 1302907863 /nfs/dbraw/zinc/90/78/63/1302907863.db2.gz ZVXPNTPMUDXGIP-UYAOXDASSA-N 0 3 337.419 3.470 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+](C1CC1)[C@@H]1CCc3ccccc31)[C@H](O)CO2 ZINC000768444987 1302907873 /nfs/dbraw/zinc/90/78/73/1302907873.db2.gz ZVXPNTPMUDXGIP-UYAOXDASSA-N 0 3 337.419 3.470 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+](Cc1ccc(F)cc1)CC1CC1)[C@H](O)CO2 ZINC000768447303 1302908020 /nfs/dbraw/zinc/90/80/20/1302908020.db2.gz OCTOYPASWPLNTL-LJQANCHMSA-N 0 3 343.398 3.369 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+](Cc1ccc(F)cc1)CC1CC1)[C@H](O)CO2 ZINC000768447303 1302908026 /nfs/dbraw/zinc/90/80/26/1302908026.db2.gz OCTOYPASWPLNTL-LJQANCHMSA-N 0 3 343.398 3.369 20 10 EGCDHN C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768462721 1302912219 /nfs/dbraw/zinc/91/22/19/1302912219.db2.gz CFRSLQQTJVVQBC-AZOIQLNYSA-N 0 3 325.408 3.196 20 10 EGCDHN C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768462721 1302912228 /nfs/dbraw/zinc/91/22/28/1302912228.db2.gz CFRSLQQTJVVQBC-AZOIQLNYSA-N 0 3 325.408 3.196 20 10 EGCDHN CCOc1ccc(CN2CCC(C(=O)OC(C)(C)C)CC2)c(O)c1 ZINC000769317018 1303091435 /nfs/dbraw/zinc/09/14/35/1303091435.db2.gz PFDXNCGTSLGMSQ-UHFFFAOYSA-N 0 3 335.444 3.345 20 10 EGCDHN CCOc1ccc(C[NH+]2CCC(C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000769317018 1303091441 /nfs/dbraw/zinc/09/14/41/1303091441.db2.gz PFDXNCGTSLGMSQ-UHFFFAOYSA-N 0 3 335.444 3.345 20 10 EGCDHN COC[C@H]1CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000769402522 1303107483 /nfs/dbraw/zinc/10/74/83/1303107483.db2.gz HQLUBMPXIGLKFI-KRWDZBQOSA-N 0 3 347.459 3.444 20 10 EGCDHN CN(C)c1ccc(CN2CCC[C@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000769512821 1303133500 /nfs/dbraw/zinc/13/35/00/1303133500.db2.gz RNJXCACMYYHVED-KRWDZBQOSA-N 0 3 333.476 3.242 20 10 EGCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c([O-])c1 ZINC000770319730 1303247832 /nfs/dbraw/zinc/24/78/32/1303247832.db2.gz BAQGCRLRWSGJEZ-CRAIPNDOSA-N 0 3 331.412 3.472 20 10 EGCDHN CCOc1ccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c([O-])c1 ZINC000770319730 1303247835 /nfs/dbraw/zinc/24/78/35/1303247835.db2.gz BAQGCRLRWSGJEZ-CRAIPNDOSA-N 0 3 331.412 3.472 20 10 EGCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@@H]([NH2+][C@@H]2CCCOCC2)C1 ZINC000771388940 1303397356 /nfs/dbraw/zinc/39/73/56/1303397356.db2.gz KVCVMGWLCAHOGH-IAGOWNOFSA-N 0 3 338.879 3.169 20 10 EGCDHN C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1)c1c([O-])cccc1F ZINC000886578258 1303509358 /nfs/dbraw/zinc/50/93/58/1303509358.db2.gz PPYHLLKACYZXDW-DZGCQCFKSA-N 0 3 344.434 3.240 20 10 EGCDHN CCCCn1cc(CNCc2ccc(N3CCOCC3)cc2)c(C)n1 ZINC000773408443 1303674986 /nfs/dbraw/zinc/67/49/86/1303674986.db2.gz GWZJZAFGTWDVEZ-UHFFFAOYSA-N 0 3 342.487 3.118 20 10 EGCDHN CCN(C)c1ccc(CN[C@H](CCO)c2ccc(OC)cc2)cc1 ZINC000773815220 1303740522 /nfs/dbraw/zinc/74/05/22/1303740522.db2.gz AALAQXUKRLULCN-HXUWFJFHSA-N 0 3 328.456 3.365 20 10 EGCDHN Cc1ccccc1CNC(=O)[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774478501 1303815053 /nfs/dbraw/zinc/81/50/53/1303815053.db2.gz FDTZZJSMPAAQLA-IAGOWNOFSA-N 0 3 339.483 3.417 20 10 EGCDHN COc1ccccc1NC(=O)[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774481225 1303815172 /nfs/dbraw/zinc/81/51/72/1303815172.db2.gz AHEIEAPKDAPROC-HUUCEWRRSA-N 0 3 341.455 3.439 20 10 EGCDHN COc1cc(Br)cc(C[NH2+]C[C@H]2CCC[C@H]2OC)c1[O-] ZINC000774832152 1303864750 /nfs/dbraw/zinc/86/47/50/1303864750.db2.gz JMTFUZOWBOHXHU-ZWNOBZJWSA-N 0 3 344.249 3.068 20 10 EGCDHN CN(Cc1ccc(N2CCN(C)CC2)cc1)Cc1ccccc1F ZINC000775641467 1304000127 /nfs/dbraw/zinc/00/01/27/1304000127.db2.gz ABIFPMOZQSZDMK-UHFFFAOYSA-N 0 3 327.447 3.210 20 10 EGCDHN CCOc1ccccc1N1CCN(Cc2cccc(C)c2O)CC1 ZINC000775638469 1304000817 /nfs/dbraw/zinc/00/08/17/1304000817.db2.gz IUPCPPRCVGSPST-UHFFFAOYSA-N 0 3 326.440 3.422 20 10 EGCDHN C[C@@H](NCC(=O)N(C)C1CCC(C)CC1)c1ccc(N(C)C)cc1 ZINC000775833333 1304046795 /nfs/dbraw/zinc/04/67/95/1304046795.db2.gz BPEFBOZECBIFKI-KOHRHEQBSA-N 0 3 331.504 3.440 20 10 EGCDHN C[C@@H](NC(=O)CN[C@H](C)c1ccc(N(C)C)cc1)c1cccs1 ZINC000775834141 1304046960 /nfs/dbraw/zinc/04/69/60/1304046960.db2.gz KNNOCYMRRFRIHS-ZIAGYGMSSA-N 0 3 331.485 3.342 20 10 EGCDHN C[C@@H](NCC(=O)N1c2ccccc2C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000775837036 1304047570 /nfs/dbraw/zinc/04/75/70/1304047570.db2.gz QPPDZADUUCUWHT-HZPDHXFCSA-N 0 3 337.467 3.381 20 10 EGCDHN CO[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(C)c2[O-])C1(C)C ZINC000776229712 1304117611 /nfs/dbraw/zinc/11/76/11/1304117611.db2.gz ATWKERXCCDXZNY-CHWSQXEVSA-N 0 3 328.250 3.366 20 10 EGCDHN C[N@H+](Cc1ccccc1)[C@H](CNC(=O)c1cc([O-])cs1)C1CC1 ZINC000776294612 1304130972 /nfs/dbraw/zinc/13/09/72/1304130972.db2.gz FTEODKQSYPLGQI-MRXNPFEDSA-N 0 3 330.453 3.094 20 10 EGCDHN C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)c1cc([O-])cs1)C1CC1 ZINC000776294612 1304130975 /nfs/dbraw/zinc/13/09/75/1304130975.db2.gz FTEODKQSYPLGQI-MRXNPFEDSA-N 0 3 330.453 3.094 20 10 EGCDHN CN(Cc1ccccc1)[C@H](CNC(=O)C1=CC(=O)CS1)C1CC1 ZINC000776294612 1304130979 /nfs/dbraw/zinc/13/09/79/1304130979.db2.gz FTEODKQSYPLGQI-MRXNPFEDSA-N 0 3 330.453 3.094 20 10 EGCDHN [O-]c1c(F)cccc1C[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000778988776 1304514882 /nfs/dbraw/zinc/51/48/82/1304514882.db2.gz NSIHYCVMDLWWTG-VMPITWQZSA-N 0 3 326.415 3.362 20 10 EGCDHN C[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccccc1 ZINC000891248427 1305000355 /nfs/dbraw/zinc/00/03/55/1305000355.db2.gz LNDNWYJRRCQNCG-UZLBHIALSA-N 0 3 339.483 3.275 20 10 EGCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccoc2C2CC2)N(C)C)cc1 ZINC000891248836 1305000837 /nfs/dbraw/zinc/00/08/37/1305000837.db2.gz NMQJXOIFAZQYMZ-GOSISDBHSA-N 0 3 341.455 3.256 20 10 EGCDHN CN(C)c1ccc(CN[C@@H]2CCCN(C3CCCCC3)C2=O)cc1F ZINC000785548232 1305376499 /nfs/dbraw/zinc/37/64/99/1305376499.db2.gz LLNAPROAQKNQLV-GOSISDBHSA-N 0 3 347.478 3.305 20 10 EGCDHN COc1ccc(CN[C@H](C)c2cccc(NC(C)=O)c2)c(O)c1OC ZINC000892505611 1305412013 /nfs/dbraw/zinc/41/20/13/1305412013.db2.gz DMOCCHUIJDUHNV-GFCCVEGCSA-N 0 3 344.411 3.219 20 10 EGCDHN COc1ccc(CNCc2cnccc2C(C)(C)C)c(O)c1OC ZINC000894906763 1309123840 /nfs/dbraw/zinc/12/38/40/1309123840.db2.gz BXYKGZAXSUFKJI-UHFFFAOYSA-N 0 3 330.428 3.392 20 10 EGCDHN COc1ccc(C[NH2+][C@@H](C)CCc2ccc(OC)c(O)c2)c([O-])c1 ZINC000793387598 1309361166 /nfs/dbraw/zinc/36/11/66/1309361166.db2.gz IHZQYEVMSGZFLZ-ZDUSSCGKSA-N 0 3 331.412 3.226 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000895781146 1309515592 /nfs/dbraw/zinc/51/55/92/1309515592.db2.gz FAJPAUSTVMSUCV-LSTHTHJFSA-N 0 3 339.435 3.174 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000895781146 1309515595 /nfs/dbraw/zinc/51/55/95/1309515595.db2.gz FAJPAUSTVMSUCV-LSTHTHJFSA-N 0 3 339.435 3.174 20 10 EGCDHN CC[C@@H]([NH2+]CCNC(=O)c1ccc(C)cc1)c1ccc(C)cc1[O-] ZINC000794800181 1309597330 /nfs/dbraw/zinc/59/73/30/1309597330.db2.gz AUFSPLMOSAMGRU-GOSISDBHSA-N 0 3 326.440 3.480 20 10 EGCDHN C[C@]1(CNC(=O)c2cc([O-])cs2)CC[N@H+](Cc2ccccc2)C1 ZINC000799102525 1310487263 /nfs/dbraw/zinc/48/72/63/1310487263.db2.gz GKXSSDLZMLHZGB-GOSISDBHSA-N 0 3 330.453 3.096 20 10 EGCDHN C[C@]1(CNC(=O)c2cc([O-])cs2)CC[N@@H+](Cc2ccccc2)C1 ZINC000799102525 1310487268 /nfs/dbraw/zinc/48/72/68/1310487268.db2.gz GKXSSDLZMLHZGB-GOSISDBHSA-N 0 3 330.453 3.096 20 10 EGCDHN C[C@]1(CNC(=O)C2=CC(=O)CS2)CCN(Cc2ccccc2)C1 ZINC000799102525 1310487276 /nfs/dbraw/zinc/48/72/76/1310487276.db2.gz GKXSSDLZMLHZGB-GOSISDBHSA-N 0 3 330.453 3.096 20 10 EGCDHN CCc1cnc(CNC[C@@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC000898449428 1310740771 /nfs/dbraw/zinc/74/07/71/1310740771.db2.gz FGRPEYSPWNIDOO-KRWDZBQOSA-N 0 3 332.517 3.164 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](Cc2ccccc2)OC)c1[O-] ZINC000824590926 1320268164 /nfs/dbraw/zinc/26/81/64/1320268164.db2.gz RYWXIRLPWLDROR-MRXNPFEDSA-N 0 3 335.831 3.402 20 10 EGCDHN CCOc1ccc(CN(Cc2cccc(C(N)=O)c2)C2CC2)c(O)c1 ZINC000824609069 1320269933 /nfs/dbraw/zinc/26/99/33/1320269933.db2.gz WBVHMVBRIGOBGW-UHFFFAOYSA-N 0 3 340.423 3.054 20 10 EGCDHN CCn1ccnc1[C@@H](C)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000825005293 1320303315 /nfs/dbraw/zinc/30/33/15/1320303315.db2.gz GJEDAGNMBSJVGZ-OAHLLOKOSA-N 0 3 328.460 3.231 20 10 EGCDHN C[C@H](NCC(=O)N(C)Cc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000839562706 1320938853 /nfs/dbraw/zinc/93/88/53/1320938853.db2.gz BDLATBXVPXJUDJ-HNNXBMFYSA-N 0 3 343.446 3.201 20 10 EGCDHN COC(=O)c1cncc(CN(Cc2ccc(N(C)C)cc2)C(C)C)c1 ZINC000929295565 1328559852 /nfs/dbraw/zinc/55/98/52/1328559852.db2.gz LSMBAUXXEIKKOC-UHFFFAOYSA-N 0 3 341.455 3.345 20 10 EGCDHN C[C@@H](NCc1cc(F)c(N(C)C)cc1F)[C@H](O)c1ccc(F)cc1 ZINC000858138717 1328692334 /nfs/dbraw/zinc/69/23/34/1328692334.db2.gz IYZREXDNNRJIRA-ZMZPIMSZSA-N 0 3 338.373 3.382 20 10 EGCDHN CN(C)c1ccc([C@H](C[NH2+][C@H]2CCc3cccc([O-])c32)N(C)C)cc1 ZINC000903447841 1317701077 /nfs/dbraw/zinc/70/10/77/1317701077.db2.gz CZBYYUAHHLANNS-OALUTQOASA-N 0 3 339.483 3.338 20 10 EGCDHN CO[C@H](C)[C@@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000810257187 1317987887 /nfs/dbraw/zinc/98/78/87/1317987887.db2.gz MSBUITMWFFOGGZ-HZSPNIEDSA-N 0 3 326.868 3.251 20 10 EGCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000811512541 1318189699 /nfs/dbraw/zinc/18/96/99/1318189699.db2.gz NZGZGERLPAOFGD-FQEVSTJZSA-N 0 3 325.408 3.371 20 10 EGCDHN COc1cccc([O-])c1C[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000811512541 1318189704 /nfs/dbraw/zinc/18/97/04/1318189704.db2.gz NZGZGERLPAOFGD-FQEVSTJZSA-N 0 3 325.408 3.371 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+][C@@H](C)CN(C)C(C)C)c1[O-] ZINC000811512540 1318190009 /nfs/dbraw/zinc/19/00/09/1318190009.db2.gz NYOIOBSCGUKTBB-LBPRGKRZSA-N 0 3 329.282 3.281 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+][C@H](C)CN(C)C(C)C)c1[O-] ZINC000811515956 1318191829 /nfs/dbraw/zinc/19/18/29/1318191829.db2.gz NYOIOBSCGUKTBB-GFCCVEGCSA-N 0 3 329.282 3.281 20 10 EGCDHN COCOc1ccc(OC)cc1CN[C@@H](C)c1cc(OC)ccc1O ZINC000813331993 1318535358 /nfs/dbraw/zinc/53/53/58/1318535358.db2.gz YXBNSYBXXXAURS-ZDUSSCGKSA-N 0 3 347.411 3.243 20 10 EGCDHN COc1ccc([C@H](CO)N(C)Cc2ccc(N(C)C)c(C)c2)cc1 ZINC000815049300 1318873190 /nfs/dbraw/zinc/87/31/90/1318873190.db2.gz YMWFENSJUHVDAT-FQEVSTJZSA-N 0 3 328.456 3.235 20 10 EGCDHN CCOc1ccc(C[NH2+][C@@H](c2cccnc2)C(C)(C)CO)c([O-])c1 ZINC000816637434 1319199069 /nfs/dbraw/zinc/19/90/69/1319199069.db2.gz DGHAXNSDDPUCJN-SFHVURJKSA-N 0 3 330.428 3.035 20 10 EGCDHN C[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)c1cc(Br)cc(F)c1[O-] ZINC000817970844 1319481343 /nfs/dbraw/zinc/48/13/43/1319481343.db2.gz FZRBBJGATWOOQZ-WCABBAIRSA-N 0 3 331.229 3.085 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)[C@H](C)O1 ZINC000823854996 1320211629 /nfs/dbraw/zinc/21/16/29/1320211629.db2.gz ASTLBQRHRBGCRG-GFOFROLCSA-N 0 3 338.879 3.166 20 10 EGCDHN CN(Cc1cccs1)c1ccc(CN[C@@H]2CCCN(C)C2=O)cc1 ZINC000823970990 1320219962 /nfs/dbraw/zinc/21/99/62/1320219962.db2.gz KVFNPYYRXUIKNX-GOSISDBHSA-N 0 3 343.496 3.095 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C[C@@H](O)C1CCC1 ZINC000825240956 1320320667 /nfs/dbraw/zinc/32/06/67/1320320667.db2.gz RSUJJJNWEPGGPX-HXUWFJFHSA-N 0 3 327.424 3.222 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](CCCO)C2)c1[O-] ZINC000825337943 1320329664 /nfs/dbraw/zinc/32/96/64/1320329664.db2.gz JICDLRMAGYISTG-GFCCVEGCSA-N 0 3 328.250 3.058 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@@H](CCCO)C2)c1[O-] ZINC000825337943 1320329667 /nfs/dbraw/zinc/32/96/67/1320329667.db2.gz JICDLRMAGYISTG-GFCCVEGCSA-N 0 3 328.250 3.058 20 10 EGCDHN COc1ccc(O)c(CNC[C@@H](OC2CCCC2)C(F)(F)F)c1 ZINC000826919847 1320414246 /nfs/dbraw/zinc/41/42/46/1320414246.db2.gz BQPDGPYDYWWAPX-OAHLLOKOSA-N 0 3 333.350 3.381 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)c1[O-] ZINC000839192919 1320891407 /nfs/dbraw/zinc/89/14/07/1320891407.db2.gz MOSFOZZUJYXREC-LLVKDONJSA-N 0 3 343.851 3.464 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)c1[O-] ZINC000839192919 1320891411 /nfs/dbraw/zinc/89/14/11/1320891411.db2.gz MOSFOZZUJYXREC-LLVKDONJSA-N 0 3 343.851 3.464 20 10 EGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H](c4nc(C)no4)C3)c2c1 ZINC000840123819 1321033700 /nfs/dbraw/zinc/03/37/00/1321033700.db2.gz HYIDYSNOYJCXJW-AWEZNQCLSA-N 0 3 339.395 3.235 20 10 EGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H](c4nc(C)no4)C3)c2c1 ZINC000840123819 1321033711 /nfs/dbraw/zinc/03/37/11/1321033711.db2.gz HYIDYSNOYJCXJW-AWEZNQCLSA-N 0 3 339.395 3.235 20 10 EGCDHN Cc1cc(N(C)C)ccc1CN1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000840911964 1321175852 /nfs/dbraw/zinc/17/58/52/1321175852.db2.gz WJYKGQWCYOXHMO-INIZCTEOSA-N 0 3 333.476 3.160 20 10 EGCDHN Cc1cc(N(C)C)ccc1CNC(C)(C)C(=O)NCC1CCCC1 ZINC000840938059 1321180825 /nfs/dbraw/zinc/18/08/25/1321180825.db2.gz ZDNWYIPIOAOOTC-UHFFFAOYSA-N 0 3 331.504 3.236 20 10 EGCDHN COc1ccc([C@@H](CCO)NCc2ccc(N(C)C)cc2C)cc1 ZINC000840935766 1321181098 /nfs/dbraw/zinc/18/10/98/1321181098.db2.gz CSSOLQXGJBDXGH-HXUWFJFHSA-N 0 3 328.456 3.283 20 10 EGCDHN CCOc1ccc(C[NH2+][C@H](COC(N)=O)Cc2ccccc2)c([O-])c1 ZINC000840962550 1321187950 /nfs/dbraw/zinc/18/79/50/1321187950.db2.gz RQJRGBZXNUGKOB-INIZCTEOSA-N 0 3 344.411 3.001 20 10 EGCDHN CC[C@](C[NH2+]Cc1cc(F)ccc1[O-])(C(=O)OC)c1ccccc1 ZINC000840976731 1321192729 /nfs/dbraw/zinc/19/27/29/1321192729.db2.gz FCUWCGMWTCAGSA-LJQANCHMSA-N 0 3 331.387 3.142 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2NCCc3ccccc32)c1[O-] ZINC000841069048 1321212883 /nfs/dbraw/zinc/21/28/83/1321212883.db2.gz LTZWDGMVOQFXRW-INIZCTEOSA-N 0 3 332.831 3.031 20 10 EGCDHN C[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1ccc(N2CCNC2=O)cc1 ZINC000842900532 1321447865 /nfs/dbraw/zinc/44/78/65/1321447865.db2.gz IBXZAODRKVXCOW-GUYCJALGSA-N 0 3 337.423 3.260 20 10 EGCDHN COc1ccc(O)c([C@@H](C)NCc2cc(OC)c(OC)cc2F)c1 ZINC000845972567 1321760153 /nfs/dbraw/zinc/76/01/53/1321760153.db2.gz SBEICRWUCFSPDV-LLVKDONJSA-N 0 3 335.375 3.408 20 10 EGCDHN COc1cccc([C@@H](C)NCc2cccc3c2OCCCO3)c1O ZINC000846154518 1321772526 /nfs/dbraw/zinc/77/25/26/1321772526.db2.gz AFOZONGPMPWKSS-CYBMUJFWSA-N 0 3 329.396 3.413 20 10 EGCDHN COc1ccc(O)c(CNCc2cn(-c3ccc(C)cc3)nc2C)c1 ZINC000848536545 1321972075 /nfs/dbraw/zinc/97/20/75/1321972075.db2.gz RIHTXNQTMCUJTE-UHFFFAOYSA-N 0 3 337.423 3.493 20 10 EGCDHN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000849350124 1322116834 /nfs/dbraw/zinc/11/68/34/1322116834.db2.gz QOQOAORQVWXFIQ-IAGOWNOFSA-N 0 3 334.822 3.420 20 10 EGCDHN COc1cc(CNCc2cccc(C(N)=O)c2)c(O)c(C(C)(C)C)c1 ZINC000850020096 1322182531 /nfs/dbraw/zinc/18/25/31/1322182531.db2.gz FSOYBMSFRBIZFT-UHFFFAOYSA-N 0 3 342.439 3.087 20 10 EGCDHN COC[C@H](C)Oc1ccc(CNCc2ccc3c(c2)CCO3)cc1 ZINC000850112144 1322193611 /nfs/dbraw/zinc/19/36/11/1322193611.db2.gz TWYOJUFJAVQSSK-HNNXBMFYSA-N 0 3 327.424 3.325 20 10 EGCDHN CCOc1ccc(CNCc2cccnc2N2CCCC2)c(O)c1 ZINC000850353129 1322232416 /nfs/dbraw/zinc/23/24/16/1322232416.db2.gz SYKPSCICFASSHY-UHFFFAOYSA-N 0 3 327.428 3.076 20 10 EGCDHN CCOc1ccc(C[NH2+]Cc2cccnc2N2CCCC2)c([O-])c1 ZINC000850353129 1322232422 /nfs/dbraw/zinc/23/24/22/1322232422.db2.gz SYKPSCICFASSHY-UHFFFAOYSA-N 0 3 327.428 3.076 20 10 EGCDHN COC[C@H](N[C@H](C)c1cc(OC)ccc1O)c1cccc(OC)c1 ZINC000850515366 1322260152 /nfs/dbraw/zinc/26/01/52/1322260152.db2.gz XCOVZICQVIGSFH-ACJLOTCBSA-N 0 3 331.412 3.448 20 10 EGCDHN CN(Cc1cccs1)c1ccc(CNCC2OCCCO2)cc1 ZINC000922278494 1322491683 /nfs/dbraw/zinc/49/16/83/1322491683.db2.gz IKHFWLQTFWBLRY-UHFFFAOYSA-N 0 3 332.469 3.237 20 10 EGCDHN CC[C@H]([NH2+]CCc1ccccc1S(C)(=O)=O)c1ccc(C)cc1[O-] ZINC000926907487 1327769759 /nfs/dbraw/zinc/76/97/59/1327769759.db2.gz JZINLQWPIXJLFB-KRWDZBQOSA-N 0 3 347.480 3.388 20 10 EGCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CCO[C@H]1CCOC1 ZINC000927081287 1327850262 /nfs/dbraw/zinc/85/02/62/1327850262.db2.gz OBYFXUNCVIXSGI-ICSRJNTNSA-N 0 3 341.451 3.461 20 10 EGCDHN CCN(CC)c1ccc(CNCc2cnc(CCOC)s2)cc1 ZINC000865418048 1329694710 /nfs/dbraw/zinc/69/47/10/1329694710.db2.gz HOIWKLFDMNAQMV-UHFFFAOYSA-N 0 3 333.501 3.468 20 10 EGCDHN CC[C@@H](NC[C@@H](n1cncn1)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000866434285 1330111573 /nfs/dbraw/zinc/11/15/73/1330111573.db2.gz KJAXBCSCNQVVMA-HUUCEWRRSA-N 0 3 341.381 3.188 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@](C)(O)[C@@H](C)C2)c1[O-] ZINC001233106780 1376571027 /nfs/dbraw/zinc/57/10/27/1376571027.db2.gz NPCPSNPYOXBHCJ-LRDDRELGSA-N 0 3 342.277 3.446 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@](C)(O)[C@@H](C)C2)c1[O-] ZINC001233106780 1376571031 /nfs/dbraw/zinc/57/10/31/1376571031.db2.gz NPCPSNPYOXBHCJ-LRDDRELGSA-N 0 3 342.277 3.446 20 10 EGCDHN O=C1C[C@@]2(CC[N@@H+](Cc3ccccc3[O-])C2)CN1c1ccsc1 ZINC001203552574 1370167737 /nfs/dbraw/zinc/16/77/37/1370167737.db2.gz OLPMTZMXOGPIAB-GOSISDBHSA-N 0 3 328.437 3.083 20 10 EGCDHN O=C1C[C@@]2(CC[N@H+](Cc3ccccc3[O-])C2)CN1c1ccsc1 ZINC001203552574 1370167740 /nfs/dbraw/zinc/16/77/40/1370167740.db2.gz OLPMTZMXOGPIAB-GOSISDBHSA-N 0 3 328.437 3.083 20 10 EGCDHN CCCc1noc([C@@H]2CCC[N@H+](Cc3ccc(OC)cc3[O-])C2)n1 ZINC001203629328 1370193421 /nfs/dbraw/zinc/19/34/21/1370193421.db2.gz WIDRPJHAUQCNKE-CQSZACIVSA-N 0 3 331.416 3.116 20 10 EGCDHN CCCc1noc([C@@H]2CCC[N@@H+](Cc3ccc(OC)cc3[O-])C2)n1 ZINC001203629328 1370193422 /nfs/dbraw/zinc/19/34/22/1370193422.db2.gz WIDRPJHAUQCNKE-CQSZACIVSA-N 0 3 331.416 3.116 20 10 EGCDHN COc1ccc(O)c(CN2CCN(Cc3ccccc3)[C@@H](C)C2)c1 ZINC001203680060 1370215250 /nfs/dbraw/zinc/21/52/50/1370215250.db2.gz BHTHDCMLYXCJPS-INIZCTEOSA-N 0 3 326.440 3.107 20 10 EGCDHN COc1ccc(N2CCN(Cc3cc(OC)ccc3O)CC2)c(C)c1 ZINC001203680834 1370216473 /nfs/dbraw/zinc/21/64/73/1370216473.db2.gz GQUHFCJQQYWJJP-UHFFFAOYSA-N 0 3 342.439 3.040 20 10 EGCDHN CN(C)c1ccc(CN2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)cc1 ZINC001203930840 1370319962 /nfs/dbraw/zinc/31/99/62/1370319962.db2.gz JJFILSJFTWIZRU-AEFFLSMTSA-N 0 3 345.487 3.194 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC[C@@H](NC(=O)C3CC3)C2)cc1 ZINC001203946012 1370324725 /nfs/dbraw/zinc/32/47/25/1370324725.db2.gz RLXPJUVRRXWGNC-GOSISDBHSA-N 0 3 329.488 3.023 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC[C@@H](NC(=O)C3CCC3)C2)cc1 ZINC001203946010 1370325137 /nfs/dbraw/zinc/32/51/37/1370325137.db2.gz RLFQASPBTNJNFS-LJQANCHMSA-N 0 3 343.515 3.414 20 10 EGCDHN Cc1cc(Br)c([O-])c(CN2CCC[C@H](C[NH3+])[C@H]2C)c1 ZINC001205912850 1370908221 /nfs/dbraw/zinc/90/82/21/1370908221.db2.gz DBIWQEHHVBAZAR-VXGBXAGGSA-N 0 3 327.266 3.022 20 10 EGCDHN COc1ccc([C@@H](CO)N(C)Cc2ccc(N3CCCC3)cc2)cc1 ZINC001116442855 1370912474 /nfs/dbraw/zinc/91/24/74/1370912474.db2.gz STAQLOVGZORNBE-OAQYLSRUSA-N 0 3 340.467 3.461 20 10 EGCDHN CC(C)(C)OC(=O)NC12CC(C[N@@H+]3CCc4cccc([O-])c4C3)(C1)C2 ZINC001207268931 1371345013 /nfs/dbraw/zinc/34/50/13/1371345013.db2.gz PLDKIPUHFPUHAX-UHFFFAOYSA-N 0 3 344.455 3.198 20 10 EGCDHN CC(C)(C)OC(=O)NC12CC(C[N@H+]3CCc4cccc([O-])c4C3)(C1)C2 ZINC001207268931 1371345020 /nfs/dbraw/zinc/34/50/20/1371345020.db2.gz PLDKIPUHFPUHAX-UHFFFAOYSA-N 0 3 344.455 3.198 20 10 EGCDHN COc1ccc(N2CCN(CCc3cccc(OC)c3)CC2)cc1 ZINC001207425037 1371391490 /nfs/dbraw/zinc/39/14/90/1371391490.db2.gz DXRIXJOVWBAAPU-UHFFFAOYSA-N 0 3 326.440 3.069 20 10 EGCDHN Cc1ccc(C)n1-c1ccc(CN2CCN([C@@H]3CCOC3)CC2)cc1 ZINC001209519044 1372127158 /nfs/dbraw/zinc/12/71/58/1372127158.db2.gz QRXYSVIUNCAHSL-OAQYLSRUSA-N 0 3 339.483 3.001 20 10 EGCDHN COc1ccc(Br)c(CN2C[C@H]3[C@H](CC3(F)F)C2)c1O ZINC001231550263 1376261459 /nfs/dbraw/zinc/26/14/59/1376261459.db2.gz LXJHDUDHAQSLLH-SCZZXKLOSA-N 0 3 348.187 3.250 20 10 EGCDHN CCCCOC(=O)[C@H]1CCN(Cc2cc(Cl)cc(OC)c2O)C1 ZINC001233291410 1376606471 /nfs/dbraw/zinc/60/64/71/1376606471.db2.gz ZWFLCIKNCFFIKM-LBPRGKRZSA-N 0 3 341.835 3.219 20 10 EGCDHN COc1cc(Cl)cc(CN(CCO)Cc2cccs2)c1O ZINC001233289673 1376606870 /nfs/dbraw/zinc/60/68/70/1376606870.db2.gz GWHPSKIVEJKQJW-UHFFFAOYSA-N 0 3 327.833 3.110 20 10 EGCDHN [O-]c1c(C[NH+]2CCC3(C[C@@H](F)CO3)CC2)cccc1OC(F)(F)F ZINC001233768009 1376711667 /nfs/dbraw/zinc/71/16/67/1376711667.db2.gz JLAMUHZXPUXTQV-GFCCVEGCSA-N 0 3 349.324 3.384 20 10 EGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC001237060020 1376975193 /nfs/dbraw/zinc/97/51/93/1376975193.db2.gz SMZLNUIBLQHWHB-MRXNPFEDSA-N 0 3 345.361 3.336 20 10 EGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC001237060020 1376975195 /nfs/dbraw/zinc/97/51/95/1376975195.db2.gz SMZLNUIBLQHWHB-MRXNPFEDSA-N 0 3 345.361 3.336 20 10 EGCDHN COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])C1 ZINC001237141392 1376975347 /nfs/dbraw/zinc/97/53/47/1376975347.db2.gz WIVKHKILBLIYAA-PWSUYJOCSA-N 0 3 331.334 3.042 20 10 EGCDHN COC(=O)[C@H]1C[C@@H](C)C[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])C1 ZINC001237141392 1376975351 /nfs/dbraw/zinc/97/53/51/1376975351.db2.gz WIVKHKILBLIYAA-PWSUYJOCSA-N 0 3 331.334 3.042 20 10 EGCDHN COC(=O)[C@H]1C[C@@H](C)CN(Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237141392 1376975358 /nfs/dbraw/zinc/97/53/58/1376975358.db2.gz WIVKHKILBLIYAA-PWSUYJOCSA-N 0 3 331.334 3.042 20 10 EGCDHN CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1c([O-])cccc1F ZINC001137839145 1377626979 /nfs/dbraw/zinc/62/69/79/1377626979.db2.gz SYVWCIPFMIRYBG-DCGLDWPTSA-N 0 3 335.419 3.474 20 10 EGCDHN CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1c([O-])cccc1F ZINC001137839145 1377626980 /nfs/dbraw/zinc/62/69/80/1377626980.db2.gz SYVWCIPFMIRYBG-DCGLDWPTSA-N 0 3 335.419 3.474 20 10 EGCDHN Cc1cc(CN2CCC3(CC2)OCCO3)c(C)n1-c1ccccc1 ZINC001137856193 1377631694 /nfs/dbraw/zinc/63/16/94/1377631694.db2.gz TXOKKMWNUIKWFI-UHFFFAOYSA-N 0 3 326.440 3.433 20 10 EGCDHN CCOC(=O)[C@H]1[C@@H]2CN(Cc3cc(C)n(-c4ccccc4)c3C)C[C@@H]21 ZINC001137858932 1377632545 /nfs/dbraw/zinc/63/25/45/1377632545.db2.gz AJVNLOVSHUEHOG-PMOLBWCYSA-N 0 3 338.451 3.335 20 10 EGCDHN C[C@@H]1CN(Cc2ccc3c(c2)CCCN3C)CC[C@]1(O)C(F)(F)F ZINC001138354600 1377708266 /nfs/dbraw/zinc/70/82/66/1377708266.db2.gz PASYDHOVBLREKH-CXAGYDPISA-N 0 3 342.405 3.204 20 10 EGCDHN COc1ccnc(O[C@@H]2CCN(Cc3ccc(N(C)C)c(C)c3)C2)c1 ZINC001139674044 1377931331 /nfs/dbraw/zinc/93/13/31/1377931331.db2.gz LSPILAGWDCGZQO-GOSISDBHSA-N 0 3 341.455 3.118 20 10 EGCDHN O=C1N(c2ccsc2)CC[C@@]12CC[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001140054444 1377996755 /nfs/dbraw/zinc/99/67/55/1377996755.db2.gz QOSPSSWWJBEDRB-GOSISDBHSA-N 0 3 346.427 3.222 20 10 EGCDHN O=C1N(c2ccsc2)CC[C@@]12CC[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001140054444 1377996756 /nfs/dbraw/zinc/99/67/56/1377996756.db2.gz QOSPSSWWJBEDRB-GOSISDBHSA-N 0 3 346.427 3.222 20 10 EGCDHN CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])CC1 ZINC001140055429 1377996906 /nfs/dbraw/zinc/99/69/06/1377996906.db2.gz XUMGGCVJBNFHEG-OAHLLOKOSA-N 0 3 338.423 3.411 20 10 EGCDHN CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])CC1 ZINC001140055429 1377996907 /nfs/dbraw/zinc/99/69/07/1377996907.db2.gz XUMGGCVJBNFHEG-OAHLLOKOSA-N 0 3 338.423 3.411 20 10 EGCDHN C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(Cc2cc(F)ccc2O)C1 ZINC001140058747 1377998329 /nfs/dbraw/zinc/99/83/29/1377998329.db2.gz KQCNJHOBCDBLSW-SWLSCSKDSA-N 0 3 338.423 3.266 20 10 EGCDHN CC[C@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)ccc1[O-] ZINC001273285280 1378094613 /nfs/dbraw/zinc/09/46/13/1378094613.db2.gz PBJACZSEMBVALG-IFXJQAMLSA-N 0 3 334.435 3.287 20 10 EGCDHN CC[C@H](C)N1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(F)ccc1[O-] ZINC001273285280 1378094615 /nfs/dbraw/zinc/09/46/15/1378094615.db2.gz PBJACZSEMBVALG-IFXJQAMLSA-N 0 3 334.435 3.287 20 10 EGCDHN Fc1cc(N2CCOCC2)ccc1CN1CCC2(CC(F)C2)CC1 ZINC001140660214 1378108300 /nfs/dbraw/zinc/10/83/00/1378108300.db2.gz JPKORLIMQHBPHC-UHFFFAOYSA-N 0 3 336.426 3.376 20 10 EGCDHN Cc1ccc(C)c(N2CCN(Cc3ccc(O)c(C)c3O)CC2)c1 ZINC001140742359 1378128388 /nfs/dbraw/zinc/12/83/88/1378128388.db2.gz LTCMKCSKIFNQMH-UHFFFAOYSA-N 0 3 326.440 3.345 20 10 EGCDHN Cc1c(O)ccc(CN2CCN([C@@H](C)c3ccccc3)CC2)c1O ZINC001140747374 1378129114 /nfs/dbraw/zinc/12/91/14/1378129114.db2.gz ASRDAUUMUBEASY-INIZCTEOSA-N 0 3 326.440 3.285 20 10 EGCDHN COC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc(C)cc1[O-])CC2 ZINC001140948534 1378188090 /nfs/dbraw/zinc/18/80/90/1378188090.db2.gz MHPORXJSNBRIOY-UHFFFAOYSA-N 0 3 332.444 3.145 20 10 EGCDHN COC(=O)[C@@H]1CC[N@H+](Cc2ccc(C)cc2[O-])[C@H]1c1ccccc1 ZINC001140952082 1378189721 /nfs/dbraw/zinc/18/97/21/1378189721.db2.gz DLRFSIKOLIPAAK-MJGOQNOKSA-N 0 3 325.408 3.437 20 10 EGCDHN COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])[C@H]1c1ccccc1 ZINC001140952082 1378189726 /nfs/dbraw/zinc/18/97/26/1378189726.db2.gz DLRFSIKOLIPAAK-MJGOQNOKSA-N 0 3 325.408 3.437 20 10 EGCDHN Cc1ccc(C[NH+]2CCC3(CC2)C(=O)Nc2c3cccc2F)c([O-])c1 ZINC001140949392 1378189803 /nfs/dbraw/zinc/18/98/03/1378189803.db2.gz AQTYIRCYTYPXLR-UHFFFAOYSA-N 0 3 340.398 3.326 20 10 EGCDHN Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCN3Cc3nccs3)C2)c([O-])c1 ZINC001140950563 1378190591 /nfs/dbraw/zinc/19/05/91/1378190591.db2.gz YTFOCYHKJNCOOE-NVXWUHKLSA-N 0 3 343.496 3.254 20 10 EGCDHN Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCN3Cc3nccs3)C2)c([O-])c1 ZINC001140950563 1378190593 /nfs/dbraw/zinc/19/05/93/1378190593.db2.gz YTFOCYHKJNCOOE-NVXWUHKLSA-N 0 3 343.496 3.254 20 10 EGCDHN COC(=O)[C@@H]1C[N@H+](Cc2ccc(C)cc2[O-])C[C@@H]1c1ccccc1 ZINC001140954487 1378191691 /nfs/dbraw/zinc/19/16/91/1378191691.db2.gz UIEYJVHZLYVMFA-QZTJIDSGSA-N 0 3 325.408 3.089 20 10 EGCDHN COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C)cc2[O-])C[C@@H]1c1ccccc1 ZINC001140954487 1378191695 /nfs/dbraw/zinc/19/16/95/1378191695.db2.gz UIEYJVHZLYVMFA-QZTJIDSGSA-N 0 3 325.408 3.089 20 10 EGCDHN CCCCCCN1CCN(Cc2c(O)cc(OC)cc2OC)CC1 ZINC001141028360 1378213291 /nfs/dbraw/zinc/21/32/91/1378213291.db2.gz LVZGOQFTGBCQJZ-UHFFFAOYSA-N 0 3 336.476 3.107 20 10 EGCDHN CN1CCOc2cc(CN3CCN(C)[C@@H](c4ccccc4)C3)ccc21 ZINC001141143418 1378248195 /nfs/dbraw/zinc/24/81/95/1378248195.db2.gz YJHBPHOLQQKEBL-HXUWFJFHSA-N 0 3 337.467 3.004 20 10 EGCDHN CC(C)(C)OC(=O)N1CC[C@@]12CCCN(Cc1cc(O)ccc1O)C2 ZINC001141156968 1378253386 /nfs/dbraw/zinc/25/33/86/1378253386.db2.gz ZMAPHNLCNFQPMQ-LJQANCHMSA-N 0 3 348.443 3.073 20 10 EGCDHN COC[C@@H](C)N(Cc1cccc(OC)c1)Cc1cc(O)ccc1O ZINC001141161525 1378254128 /nfs/dbraw/zinc/25/41/28/1378254128.db2.gz TYJGJGZYTZYCIK-CQSZACIVSA-N 0 3 331.412 3.144 20 10 EGCDHN CC(C)(C)c1cccc(CN2CCC[C@@H](NC(=O)C3CC3)C2)c1O ZINC001143117117 1378543656 /nfs/dbraw/zinc/54/36/56/1378543656.db2.gz UOFQMZKBNOLIQC-MRXNPFEDSA-N 0 3 330.472 3.180 20 10 EGCDHN C[C@H]1C[C@H]([N@@H+]2CCc3cccc([O-])c3C2)CN1C(=O)OC(C)(C)C ZINC001168872653 1384041286 /nfs/dbraw/zinc/04/12/86/1384041286.db2.gz NXGOJEXWRBUXAA-ZFWWWQNUSA-N 0 3 332.444 3.148 20 10 EGCDHN C[C@H]1C[C@H]([N@H+]2CCc3cccc([O-])c3C2)CN1C(=O)OC(C)(C)C ZINC001168872653 1384041315 /nfs/dbraw/zinc/04/13/15/1384041315.db2.gz NXGOJEXWRBUXAA-ZFWWWQNUSA-N 0 3 332.444 3.148 20 10 EGCDHN Cc1ccc(CNCc2cccc(OCC(F)(F)F)n2)c(O)c1 ZINC001331075831 1389621978 /nfs/dbraw/zinc/62/19/78/1389621978.db2.gz WZRIZZICWFWRKW-UHFFFAOYSA-N 0 3 326.318 3.327 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)CC2CCOCC2)c2c1c(F)ccc2[O-] ZINC001339286140 1389974679 /nfs/dbraw/zinc/97/46/79/1389974679.db2.gz HZPLEBDTPWABRM-IVMMDQJWSA-N 0 3 337.435 3.094 20 10 EGCDHN CN(Cc1ccc(N)cc1)[C@@H](CO)c1cccc(Br)c1 ZINC001334774195 1390586220 /nfs/dbraw/zinc/58/62/20/1390586220.db2.gz GIIWGSMAIRNWDY-INIZCTEOSA-N 0 3 335.245 3.197 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)C(=O)NCC(F)(F)F)c1[O-] ZINC001342935215 1390675072 /nfs/dbraw/zinc/67/50/72/1390675072.db2.gz OMBFFMIAUKOOGR-IUCAKERBSA-N 0 3 338.757 3.072 20 10 EGCDHN COc1ccc(CNC/C=C\CNC(=O)[C@H](C)C2CCC2)cc1C ZINC001754135264 1440543825 /nfs/dbraw/zinc/54/38/25/1440543825.db2.gz JPFBINGMXCJPSO-YIEVGGLXSA-N 0 3 330.472 3.202 20 10 EGCDHN COc1ccc(CNC/C=C\CNC(=O)[C@H](C)c2ccco2)cc1C ZINC001754169119 1440546744 /nfs/dbraw/zinc/54/67/44/1440546744.db2.gz GKKGIBVFPUCZRT-YIEVGGLXSA-N 0 3 342.439 3.162 20 10 EGCDHN COc1ccc(CNC/C=C/CNC(=O)C(C)(C)C(F)F)cc1C ZINC001754168608 1440546818 /nfs/dbraw/zinc/54/68/18/1440546818.db2.gz OBQBYLHYYXBBIG-AATRIKPKSA-N 0 3 340.414 3.057 20 10 EGCDHN C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593219906 994305015 /nfs/dbraw/zinc/30/50/15/994305015.db2.gz PNXKFQIVWUFDKA-XIWWETDGSA-N 0 3 332.444 3.148 20 10 EGCDHN C[C@H]1CN(CCCC[NH2+]Cc2c([O-])cccc2Cl)C[C@H](C)O1 ZINC000113329676 454923436 /nfs/dbraw/zinc/92/34/36/454923436.db2.gz ZEBUTYUEZVLSIC-KBPBESRZSA-N 0 3 326.868 3.025 20 10 EGCDHN C[N@@H+](Cc1ccccc1[O-])[C@H](CO)c1cccc(Br)c1 ZINC000271452448 455642864 /nfs/dbraw/zinc/64/28/64/455642864.db2.gz UWUQGVBMKIEZHI-OAHLLOKOSA-N 0 3 336.229 3.320 20 10 EGCDHN O[C@H](CNCc1ccc2c(c1)CCO2)c1cccc(Br)c1 ZINC000282899425 456659381 /nfs/dbraw/zinc/65/93/81/456659381.db2.gz UDCJOJYPAYTKRN-MRXNPFEDSA-N 0 3 348.240 3.207 20 10 EGCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)cc1OC ZINC000180717796 455232924 /nfs/dbraw/zinc/23/29/24/455232924.db2.gz WDCGJONPACISRW-ZBFHGGJFSA-N 0 3 347.411 3.091 20 10 EGCDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)cc1OC ZINC000180717796 455232931 /nfs/dbraw/zinc/23/29/31/455232931.db2.gz WDCGJONPACISRW-ZBFHGGJFSA-N 0 3 347.411 3.091 20 10 EGCDHN COc1cc(O)c(CN2CCC[C@@H]2C[C@H](O)c2ccco2)cc1OC ZINC000180717796 455232935 /nfs/dbraw/zinc/23/29/35/455232935.db2.gz WDCGJONPACISRW-ZBFHGGJFSA-N 0 3 347.411 3.091 20 10 EGCDHN C[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1cc(Br)ccc1[O-] ZINC000181011494 455275456 /nfs/dbraw/zinc/27/54/56/455275456.db2.gz HQFCAKJBSMNJOG-RYUDHWBXSA-N 0 3 339.277 3.290 20 10 EGCDHN Cc1ccc([C@@H](C[NH2+][C@@H](C)c2ccccc2[O-])N2CCOCC2)o1 ZINC000183392758 455287121 /nfs/dbraw/zinc/28/71/21/455287121.db2.gz PCWIDSWHZCERSC-DOTOQJQBSA-N 0 3 330.428 3.018 20 10 EGCDHN C[C@H]([NH2+][C@@H](CN1CCOCC1)c1ccccc1)c1ccccc1[O-] ZINC000183390836 455287661 /nfs/dbraw/zinc/28/76/61/455287661.db2.gz XXPZKAGCEGCUPE-LPHOPBHVSA-N 0 3 326.440 3.116 20 10 EGCDHN C[C@@H](N[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000090181563 454290471 /nfs/dbraw/zinc/29/04/71/454290471.db2.gz SYPXNRMSQJQYBC-NVXWUHKLSA-N 0 3 327.472 3.091 20 10 EGCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000121140208 454397335 /nfs/dbraw/zinc/39/73/35/454397335.db2.gz GTXZDLWDMPPADA-GHTZIAJQSA-N 0 3 341.451 3.279 20 10 EGCDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000121140208 454397341 /nfs/dbraw/zinc/39/73/41/454397341.db2.gz GTXZDLWDMPPADA-GHTZIAJQSA-N 0 3 341.451 3.279 20 10 EGCDHN Cc1ccc([O-])c(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000121319851 454420119 /nfs/dbraw/zinc/42/01/19/454420119.db2.gz QWLHWEPYGPHVJB-UHFFFAOYSA-N 0 3 326.440 3.169 20 10 EGCDHN Cc1ccc([O-])c(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000121319851 454420120 /nfs/dbraw/zinc/42/01/20/454420120.db2.gz QWLHWEPYGPHVJB-UHFFFAOYSA-N 0 3 326.440 3.169 20 10 EGCDHN C[C@H]1CCCN(C(=O)C2CCN(Cc3ccc(N(C)C)cc3)CC2)C1 ZINC000091949048 454493075 /nfs/dbraw/zinc/49/30/75/454493075.db2.gz DYSOCQUFYKVQPH-KRWDZBQOSA-N 0 3 343.515 3.223 20 10 EGCDHN COc1cccc(C[NH2+][C@@H](C)Cc2ccc(OC)c(OC)c2)c1[O-] ZINC000106481592 454696597 /nfs/dbraw/zinc/69/65/97/454696597.db2.gz FWRQEXLOXUYIAI-ZDUSSCGKSA-N 0 3 331.412 3.139 20 10 EGCDHN COCC1CC[NH+](Cc2cc(Br)cc(C)c2[O-])CC1 ZINC000124591034 454751305 /nfs/dbraw/zinc/75/13/05/454751305.db2.gz GYHGSZAHLAUJHS-UHFFFAOYSA-N 0 3 328.250 3.322 20 10 EGCDHN C[N@@H+](Cc1ccccc1[O-])CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000109773783 454837437 /nfs/dbraw/zinc/83/74/37/454837437.db2.gz GLJVAAVTTHWZAY-UHFFFAOYSA-N 0 3 334.460 3.471 20 10 EGCDHN C[N@H+](Cc1ccccc1[O-])CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000109773783 454837443 /nfs/dbraw/zinc/83/74/43/454837443.db2.gz GLJVAAVTTHWZAY-UHFFFAOYSA-N 0 3 334.460 3.471 20 10 EGCDHN C[C@@H](NCc1ccc(CS(C)(=O)=O)cc1)c1ccc(N(C)C)cc1 ZINC000125711109 454841174 /nfs/dbraw/zinc/84/11/74/454841174.db2.gz ZNFFBIKBAXLWKT-OAHLLOKOSA-N 0 3 346.496 3.148 20 10 EGCDHN Cc1nc2c(s1)[C@H](N(C)Cc1cc3c(cc1O)OCO3)CCC2 ZINC000111173221 454858196 /nfs/dbraw/zinc/85/81/96/454858196.db2.gz IOSQAHGQGKXIIP-CYBMUJFWSA-N 0 3 332.425 3.395 20 10 EGCDHN C[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1cc(F)ccc1[O-] ZINC000184894458 455468958 /nfs/dbraw/zinc/46/89/58/455468958.db2.gz HBGGOIAMFPJHHY-HNNXBMFYSA-N 0 3 344.430 3.214 20 10 EGCDHN CCCCNC(=O)C1CC[NH+](Cc2ccc(OCCC)cc2[O-])CC1 ZINC000154712175 454921817 /nfs/dbraw/zinc/92/18/17/454921817.db2.gz JRBZRNQNSUEEAR-UHFFFAOYSA-N 0 3 348.487 3.309 20 10 EGCDHN C[NH+](C)CCOc1ccccc1CNCc1c([O-])cccc1Cl ZINC000113330924 454923094 /nfs/dbraw/zinc/92/30/94/454923094.db2.gz HSZSFPSOUBMUKV-UHFFFAOYSA-N 0 3 334.847 3.276 20 10 EGCDHN CC[C@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1ccccc1[O-] ZINC000155074327 454960782 /nfs/dbraw/zinc/96/07/82/454960782.db2.gz SGLMEVTXHQATAM-KRWDZBQOSA-N 0 3 328.412 3.331 20 10 EGCDHN CC[C@H](NCc1cccc(C(=O)NC)c1)c1ccc(N(C)C)cc1 ZINC000178689414 454967914 /nfs/dbraw/zinc/96/79/14/454967914.db2.gz QSJMCKQQYVZNIN-IBGZPJMESA-N 0 3 325.456 3.353 20 10 EGCDHN CCN(C)c1ccc([C@H](C)NCc2cccc(C(=O)NC)c2)cc1 ZINC000178688305 454968417 /nfs/dbraw/zinc/96/84/17/454968417.db2.gz NGVGKLPFOYYSSH-HNNXBMFYSA-N 0 3 325.456 3.353 20 10 EGCDHN CCCOc1ccc(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c([O-])c1 ZINC000151375650 454976318 /nfs/dbraw/zinc/97/63/18/454976318.db2.gz MKNPIUHSGWRTAQ-CRAIPNDOSA-N 0 3 337.485 3.325 20 10 EGCDHN COc1ccc(O)c(CN(C)Cc2cc(OC)c(OC)cc2C)c1 ZINC000179605367 455061838 /nfs/dbraw/zinc/06/18/38/455061838.db2.gz AIWVSXYKMNMQFC-UHFFFAOYSA-N 0 3 331.412 3.358 20 10 EGCDHN Cc1ccc(NC(=O)C2CC[NH+](Cc3cc(F)ccc3[O-])CC2)nc1 ZINC000179938176 455102573 /nfs/dbraw/zinc/10/25/73/455102573.db2.gz XTLNRRVUCNRQLK-UHFFFAOYSA-N 0 3 343.402 3.085 20 10 EGCDHN C[C@H](C[S@@](C)=O)N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000184296419 455369387 /nfs/dbraw/zinc/36/93/87/455369387.db2.gz CCKHHJNUSHVWFG-ALLJEULLSA-N 0 3 326.481 3.234 20 10 EGCDHN FC(F)Oc1ccc(N2CCC[C@H](NCc3ccncc3)C2)cc1 ZINC000174621506 455407184 /nfs/dbraw/zinc/40/71/84/455407184.db2.gz JAVBQMPEYUIETL-HNNXBMFYSA-N 0 3 333.382 3.442 20 10 EGCDHN FC(F)Oc1ccc(N2CCC[C@@H](NCc3cccnc3)C2)cc1 ZINC000174622364 455407235 /nfs/dbraw/zinc/40/72/35/455407235.db2.gz FBZAJQVEXDMSOR-OAHLLOKOSA-N 0 3 333.382 3.442 20 10 EGCDHN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000174640166 455408770 /nfs/dbraw/zinc/40/87/70/455408770.db2.gz QASSOTKHRPDCFY-CVEARBPZSA-N 0 3 343.496 3.464 20 10 EGCDHN C[C@@H](CC(=O)Nc1cccnc1Cl)NCc1ccc(N(C)C)cc1 ZINC000160528071 455469557 /nfs/dbraw/zinc/46/95/57/455469557.db2.gz JDAQMXKTEDMYST-ZDUSSCGKSA-N 0 3 346.862 3.308 20 10 EGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C2CCN(C(=O)c3ccco3)CC2)c1 ZINC000184966747 455479524 /nfs/dbraw/zinc/47/95/24/455479524.db2.gz STISUILJELJJIG-CQSZACIVSA-N 0 3 328.412 3.249 20 10 EGCDHN COc1ccc(O)c([C@@H](C)NCc2ccc(N3CCCC3)nc2)c1 ZINC000184984163 455481314 /nfs/dbraw/zinc/48/13/14/455481314.db2.gz MAGQJAYWOFZOJD-CQSZACIVSA-N 0 3 327.428 3.247 20 10 EGCDHN CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185196062 455519776 /nfs/dbraw/zinc/51/97/76/455519776.db2.gz ZQMKFRIVSVHSJG-AWEZNQCLSA-N 0 3 330.403 3.231 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2COc3c(cccc3OC)C2)c1 ZINC000185334607 455542836 /nfs/dbraw/zinc/54/28/36/455542836.db2.gz YPECAXHKOOUJDH-GXTWGEPZSA-N 0 3 329.396 3.064 20 10 EGCDHN CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2ccc(C)cc2[O-])[C@H](C)C1 ZINC000185461322 455561125 /nfs/dbraw/zinc/56/11/25/455561125.db2.gz BEFFDUVDKQAQPR-AOIWGVFYSA-N 0 3 334.504 3.488 20 10 EGCDHN COc1cc(OC)cc([C@H](O)C[NH2+][C@@H](C)c2ccc(C)cc2[O-])c1 ZINC000185487345 455564709 /nfs/dbraw/zinc/56/47/09/455564709.db2.gz BYSKGUBZNUBUEB-ORAYPTAESA-N 0 3 331.412 3.102 20 10 EGCDHN CCOc1ccc([O-])c(C[NH+]2CCC(O)(c3ccccc3)CC2)c1 ZINC000185638822 455588312 /nfs/dbraw/zinc/58/83/12/455588312.db2.gz YUGSWSCAMNOLER-UHFFFAOYSA-N 0 3 327.424 3.275 20 10 EGCDHN CCOc1ccc(O)c(CN2CCC(O)(c3ccccc3)CC2)c1 ZINC000185638822 455588315 /nfs/dbraw/zinc/58/83/15/455588315.db2.gz YUGSWSCAMNOLER-UHFFFAOYSA-N 0 3 327.424 3.275 20 10 EGCDHN Cc1ccncc1[C@H](C)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000271387836 455618873 /nfs/dbraw/zinc/61/88/73/455618873.db2.gz JKSVETFJRWJRMR-KRWDZBQOSA-N 0 3 339.483 3.450 20 10 EGCDHN CN1CCO[C@@H]([C@@H](NCc2ccccc2O)c2ccc(Cl)cc2)C1 ZINC000247689746 455638463 /nfs/dbraw/zinc/63/84/63/455638463.db2.gz QKWSCKNTBGEHQV-MOPGFXCFSA-N 0 3 346.858 3.207 20 10 EGCDHN C[N@H+](Cc1ccccc1[O-])[C@H](CO)c1cccc(Br)c1 ZINC000271452448 455642860 /nfs/dbraw/zinc/64/28/60/455642860.db2.gz UWUQGVBMKIEZHI-OAHLLOKOSA-N 0 3 336.229 3.320 20 10 EGCDHN C[C@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1cc(F)ccc1[O-] ZINC000186019600 455676954 /nfs/dbraw/zinc/67/69/54/455676954.db2.gz QWAXNRWCYWUIOR-HNNXBMFYSA-N 0 3 336.451 3.217 20 10 EGCDHN C[C@@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1cc(F)ccc1[O-] ZINC000186019619 455676961 /nfs/dbraw/zinc/67/69/61/455676961.db2.gz QWAXNRWCYWUIOR-OAHLLOKOSA-N 0 3 336.451 3.217 20 10 EGCDHN C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)c1cc(F)ccc1[O-] ZINC000186022951 455677726 /nfs/dbraw/zinc/67/77/26/455677726.db2.gz NYLNGVBFMQXAMY-IAQYHMDHSA-N 0 3 332.350 3.127 20 10 EGCDHN COc1ccc([C@@H](CN(C)C)[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000284430464 455684592 /nfs/dbraw/zinc/68/45/92/455684592.db2.gz RWYPSAQFUDIXOE-FZKQIMNGSA-N 0 3 332.419 3.493 20 10 EGCDHN CCOc1ccc(NC(=O)CN[C@H](C)c2cc(OC)ccc2O)cc1 ZINC000271661329 455715560 /nfs/dbraw/zinc/71/55/60/455715560.db2.gz DLVIZTJWIMOWEG-CYBMUJFWSA-N 0 3 344.411 3.089 20 10 EGCDHN Cc1cccc(C[NH+]2CCC(CNC(=O)OC(C)(C)C)CC2)c1[O-] ZINC000271723930 455735364 /nfs/dbraw/zinc/73/53/64/455735364.db2.gz KZUDXSMFWPNZKO-UHFFFAOYSA-N 0 3 334.460 3.437 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CCC3(C2)CCOCC3)c1[O-] ZINC000271783897 455758698 /nfs/dbraw/zinc/75/86/98/455758698.db2.gz IBYOJVMCDLQNBG-UHFFFAOYSA-N 0 3 340.261 3.466 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CCC3(C2)CCOCC3)c1[O-] ZINC000271783897 455758705 /nfs/dbraw/zinc/75/87/05/455758705.db2.gz IBYOJVMCDLQNBG-UHFFFAOYSA-N 0 3 340.261 3.466 20 10 EGCDHN COc1cc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])ccc1OCCO ZINC000293683231 455794800 /nfs/dbraw/zinc/79/48/00/455794800.db2.gz KMAIDKMYACNPOX-HNNXBMFYSA-N 0 3 345.439 3.240 20 10 EGCDHN COc1ccncc1CNCc1cc(Br)cc(C)c1O ZINC000293843940 455799481 /nfs/dbraw/zinc/79/94/81/455799481.db2.gz HGYRWWQHIXLQJS-UHFFFAOYSA-N 0 3 337.217 3.157 20 10 EGCDHN Cc1cc(C)c([C@@H](C)[NH2+]CCn2cc(Br)cn2)c([O-])c1 ZINC000294267708 455809319 /nfs/dbraw/zinc/80/93/19/455809319.db2.gz LQRGSBKAJXIIFS-GFCCVEGCSA-N 0 3 338.249 3.319 20 10 EGCDHN C[C@H](C[S@@](C)=O)[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000294444908 455816321 /nfs/dbraw/zinc/81/63/21/455816321.db2.gz VJLXWBDXTPCHGV-OMXJDXKCSA-N 0 3 331.481 3.423 20 10 EGCDHN CCOc1cccc(C[NH2+]C[C@H](CC)NC(=O)OC(C)(C)C)c1[O-] ZINC000295107808 455838576 /nfs/dbraw/zinc/83/85/76/455838576.db2.gz UMXKTOVYDKWPQD-AWEZNQCLSA-N 0 3 338.448 3.184 20 10 EGCDHN CCC(CC)C(=O)N1CCC([NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000295999069 455865851 /nfs/dbraw/zinc/86/58/51/455865851.db2.gz ODBBCEJVYHAJSH-KRWDZBQOSA-N 0 3 330.472 3.396 20 10 EGCDHN CC(C)(CO)[C@@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)c1cccs1 ZINC000296088397 455868607 /nfs/dbraw/zinc/86/86/07/455868607.db2.gz SOBGYIZOFRWSLT-INIZCTEOSA-N 0 3 335.425 3.032 20 10 EGCDHN CC(C)(CO)[C@@H](NCc1cc2c(cc1O)OCO2)c1cccs1 ZINC000296088397 455868609 /nfs/dbraw/zinc/86/86/09/455868609.db2.gz SOBGYIZOFRWSLT-INIZCTEOSA-N 0 3 335.425 3.032 20 10 EGCDHN CC[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1ccc(C)cc1[O-] ZINC000279949820 455877974 /nfs/dbraw/zinc/87/79/74/455877974.db2.gz BQIBNZAHNIOVLU-SFHVURJKSA-N 0 3 326.440 3.400 20 10 EGCDHN CC(=O)N1CCC[C@@H](C[NH2+][C@H](C)c2cc3c(cc2[O-])CCCC3)C1 ZINC000280890564 456073252 /nfs/dbraw/zinc/07/32/52/456073252.db2.gz FBKCLMZPCWHGIV-ZBFHGGJFSA-N 0 3 330.472 3.180 20 10 EGCDHN COc1cc([O-])c(C[NH2+]CCc2nc3ccccc3s2)cc1OC ZINC000289373983 456123552 /nfs/dbraw/zinc/12/35/52/456123552.db2.gz BDNNIYVWZVZHAG-UHFFFAOYSA-N 0 3 344.436 3.351 20 10 EGCDHN CCOc1cccc(CN2CCC[C@@](O)(C(F)(F)F)CC2)c1O ZINC000289926623 456183975 /nfs/dbraw/zinc/18/39/75/456183975.db2.gz XTAQKGDZFODJJD-HNNXBMFYSA-N 0 3 333.350 3.070 20 10 EGCDHN COc1cc(OC)cc(N2CCC[N@H+](Cc3ccccc3[O-])CC2)c1 ZINC000271245459 456189188 /nfs/dbraw/zinc/18/91/88/456189188.db2.gz CGCSZRAFWCUGPV-UHFFFAOYSA-N 0 3 342.439 3.122 20 10 EGCDHN COc1cc(OC)cc(N2CCC[N@@H+](Cc3ccccc3[O-])CC2)c1 ZINC000271245459 456189190 /nfs/dbraw/zinc/18/91/90/456189190.db2.gz CGCSZRAFWCUGPV-UHFFFAOYSA-N 0 3 342.439 3.122 20 10 EGCDHN CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000263688844 456192082 /nfs/dbraw/zinc/19/20/82/456192082.db2.gz OFXJGPIIPXJXJJ-HUUCEWRRSA-N 0 3 326.440 3.452 20 10 EGCDHN CCOc1cccc(CNCc2ccc(N3CCCC3=O)cc2)c1O ZINC000236913587 456200631 /nfs/dbraw/zinc/20/06/31/456200631.db2.gz MFAPXFQRWOXVGU-UHFFFAOYSA-N 0 3 340.423 3.208 20 10 EGCDHN CCOc1cccc(C[NH2+]Cc2ccc(N3CCCC3=O)cc2)c1[O-] ZINC000236913587 456200639 /nfs/dbraw/zinc/20/06/39/456200639.db2.gz MFAPXFQRWOXVGU-UHFFFAOYSA-N 0 3 340.423 3.208 20 10 EGCDHN Cc1ccc(CN2CC[C@H](N[C@@H](C)c3cc(C)ccc3O)C2=O)cc1 ZINC000189094014 456224044 /nfs/dbraw/zinc/22/40/44/456224044.db2.gz VFOBBBSELDHJLQ-LPHOPBHVSA-N 0 3 338.451 3.461 20 10 EGCDHN COCCOc1ccccc1CN[C@H](C)c1cc(OC)ccc1O ZINC000273427673 456230631 /nfs/dbraw/zinc/23/06/31/456230631.db2.gz UTSKAVFZRPAEJW-CQSZACIVSA-N 0 3 331.412 3.277 20 10 EGCDHN Cc1ccc([C@H](C)N[C@@H]2CCN(Cc3ccccc3)C2=O)c(O)c1C ZINC000273545472 456237803 /nfs/dbraw/zinc/23/78/03/456237803.db2.gz ZHCSZOKZVFHSDD-QFBILLFUSA-N 0 3 338.451 3.461 20 10 EGCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2CCN(C3CCCC3)CC2)c1 ZINC000273587814 456239675 /nfs/dbraw/zinc/23/96/75/456239675.db2.gz OFIQUJOBOVSGBC-CQSZACIVSA-N 0 3 346.471 3.236 20 10 EGCDHN COC(=O)c1ccc([O-])c([C@@H](C)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000273587814 456239678 /nfs/dbraw/zinc/23/96/78/456239678.db2.gz OFIQUJOBOVSGBC-CQSZACIVSA-N 0 3 346.471 3.236 20 10 EGCDHN C[C@@H](NCc1ccccc1N(C)C)c1ccc(N2CCOCC2)cc1 ZINC000263862732 456247734 /nfs/dbraw/zinc/24/77/34/456247734.db2.gz WVRDGZJVWCBLSV-QGZVFWFLSA-N 0 3 339.483 3.440 20 10 EGCDHN O=C(NCC[NH2+][C@@H]1CCc2cccc([O-])c21)c1ccc(Cl)cc1 ZINC000297864136 456312662 /nfs/dbraw/zinc/31/26/62/456312662.db2.gz UFQWURTXBQMPAL-OAHLLOKOSA-N 0 3 330.815 3.053 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC2([S@](C)=O)CC2)c1[O-] ZINC000282203673 456440908 /nfs/dbraw/zinc/44/09/08/456440908.db2.gz GYXJOEBELCOLHS-OVWNDWIMSA-N 0 3 346.290 3.025 20 10 EGCDHN CC(C)(COCc1ccccc1)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000282272435 456461582 /nfs/dbraw/zinc/46/15/82/456461582.db2.gz PYSTYQZQSDWTBL-UHFFFAOYSA-N 0 3 329.396 3.206 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CCO1 ZINC000378428586 457395901 /nfs/dbraw/zinc/39/59/01/457395901.db2.gz JPYSPPGYXNSPDT-COXVUDFISA-N 0 3 338.879 3.167 20 10 EGCDHN COc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)c([O-])c1 ZINC000374879228 457725678 /nfs/dbraw/zinc/72/56/78/457725678.db2.gz SGBBPYLXHYKQRU-LPHOPBHVSA-N 0 3 340.467 3.401 20 10 EGCDHN Cc1c2ccccc2n(C)c1CNC(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000458751877 458159525 /nfs/dbraw/zinc/15/95/25/458159525.db2.gz UTUFCWMFHIYRJY-INIZCTEOSA-N 0 3 342.487 3.111 20 10 EGCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+]Cc2ccc(F)nc2)C1 ZINC000373525696 458519644 /nfs/dbraw/zinc/51/96/44/458519644.db2.gz DVZORFAIARSRTI-INIZCTEOSA-N 0 3 349.837 3.334 20 10 EGCDHN CCOc1ccc([O-])c(C[NH2+]C[C@]2(C)OCCc3sccc32)c1 ZINC000377783417 458526118 /nfs/dbraw/zinc/52/61/18/458526118.db2.gz RKMRPZXSUZDSMD-SFHVURJKSA-N 0 3 333.453 3.430 20 10 EGCDHN Cc1c2ccccc2n(C)c1CNC(=O)N1CCCN(C(C)C)CC1 ZINC000472289837 458781392 /nfs/dbraw/zinc/78/13/92/458781392.db2.gz DRVLRNQUHXYSFI-UHFFFAOYSA-N 0 3 342.487 3.112 20 10 EGCDHN CN(C)CCOc1ccc(N(C)Cc2csc([N+](=O)[O-])c2)cc1 ZINC000732410867 575268195 /nfs/dbraw/zinc/26/81/95/575268195.db2.gz LGSWDFFUGLDYBO-UHFFFAOYSA-N 0 3 335.429 3.233 20 10 EGCDHN COc1cccc([O-])c1C[NH2+]CCCc1nc2ccccc2n1C ZINC000736641336 575997211 /nfs/dbraw/zinc/99/72/11/575997211.db2.gz GQRZSLWPOFKTGT-UHFFFAOYSA-N 0 3 325.412 3.010 20 10 EGCDHN Oc1cc2c(cc1CN1CCS[C@@H](c3ccccc3)C1)OCO2 ZINC000738244721 576305046 /nfs/dbraw/zinc/30/50/46/576305046.db2.gz ICNBNXPSZKOLTR-GOSISDBHSA-N 0 3 329.421 3.411 20 10 EGCDHN Cc1cccc(CN2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000827774896 1292369801 /nfs/dbraw/zinc/36/98/01/1292369801.db2.gz ABTYFTCTAAESBL-HUUCEWRRSA-N 0 3 338.423 3.138 20 10 EGCDHN Cc1cc(CN2CC[C@@H](OC(=O)N(C)C)C2)ccc1N1CCCCC1 ZINC000830514325 1292726673 /nfs/dbraw/zinc/72/66/73/1292726673.db2.gz DWOBSSKLOWWZHT-GOSISDBHSA-N 0 3 345.487 3.258 20 10 EGCDHN [O-]c1cccc2c1[C@@H]([NH2+]CC1(N3CCOCC3)CCCCC1)CC2 ZINC000834487820 1293104322 /nfs/dbraw/zinc/10/43/22/1293104322.db2.gz NGIQKUFRHXZMSB-KRWDZBQOSA-N 0 3 330.472 3.004 20 10 EGCDHN C[C@H]1C[C@@H]([NH2+]Cc2cccc(S(C)(=O)=O)c2)c2c1c(F)ccc2[O-] ZINC000834883410 1293163297 /nfs/dbraw/zinc/16/32/97/1293163297.db2.gz KZNSOUGKRKEQEL-XHDPSFHLSA-N 0 3 349.427 3.273 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H](c3nccn3C)C2)c2c1c(F)ccc2[O-] ZINC000834910291 1293174305 /nfs/dbraw/zinc/17/43/05/1293174305.db2.gz CSDAVZZBGVBEOB-UNIGVISCSA-N 0 3 345.418 3.323 20 10 EGCDHN CCCN(CC(=O)NCCc1ccc(F)cc1)Cc1ccccc1O ZINC000130724777 1293666747 /nfs/dbraw/zinc/66/67/47/1293666747.db2.gz HTHISFKYHJZXCG-UHFFFAOYSA-N 0 3 344.430 3.102 20 10 EGCDHN COc1ccccc1CN1CCN(Cc2cccc(C)c2O)CC1 ZINC000180034142 1294854225 /nfs/dbraw/zinc/85/42/25/1294854225.db2.gz WRALQZBFFVQKEQ-UHFFFAOYSA-N 0 3 326.440 3.027 20 10 EGCDHN COCCOCC[N@H+](Cc1ccccc1)Cc1cc(F)ccc1[O-] ZINC000180241814 1294873454 /nfs/dbraw/zinc/87/34/54/1294873454.db2.gz ZXIAZLXSHXHAAH-UHFFFAOYSA-N 0 3 333.403 3.197 20 10 EGCDHN COCCOCC[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1[O-] ZINC000180241814 1294873467 /nfs/dbraw/zinc/87/34/67/1294873467.db2.gz ZXIAZLXSHXHAAH-UHFFFAOYSA-N 0 3 333.403 3.197 20 10 EGCDHN [O-]c1ccc(F)cc1C[NH2+]CCOc1ccc(C(F)(F)F)cn1 ZINC000180833409 1294919951 /nfs/dbraw/zinc/91/99/51/1294919951.db2.gz FYXVBOYHQIKTMO-UHFFFAOYSA-N 0 3 330.281 3.114 20 10 EGCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H](N)c1ccccc1 ZINC000324233344 1297207741 /nfs/dbraw/zinc/20/77/41/1297207741.db2.gz YEHVWIDWHZXAQS-IBGZPJMESA-N 0 3 325.456 3.191 20 10 EGCDHN CC(C)(C)OC(=O)NC[C@@H]([NH2+][C@H]1CCc2cccc([O-])c21)C1CC1 ZINC000393828099 1297671747 /nfs/dbraw/zinc/67/17/47/1297671747.db2.gz IQKZQINADRHXIM-LSDHHAIUSA-N 0 3 332.444 3.272 20 10 EGCDHN CC[NH+](CC)[C@@H]1CCN(Cc2c([O-])cccc2Br)C1 ZINC000707129844 1298227326 /nfs/dbraw/zinc/22/73/26/1298227326.db2.gz URALPBHBRFQKRR-GFCCVEGCSA-N 0 3 327.266 3.071 20 10 EGCDHN Cc1ccc(O)c(CNC(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)c1 ZINC000875572542 1298393123 /nfs/dbraw/zinc/39/31/23/1298393123.db2.gz FJZCANPSWNTBEY-KXBFYZLASA-N 0 3 341.455 3.191 20 10 EGCDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000746238076 1298556035 /nfs/dbraw/zinc/55/60/35/1298556035.db2.gz SPHZEVVILAAGOH-QZTJIDSGSA-N 0 3 343.515 3.412 20 10 EGCDHN Cc1cccc(O)c1CNc1ccccc1CN1CCC(O)CC1 ZINC000876826832 1299017109 /nfs/dbraw/zinc/01/71/09/1299017109.db2.gz CDHFEWWNAAUQIS-UHFFFAOYSA-N 0 3 326.440 3.269 20 10 EGCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000877085726 1299151825 /nfs/dbraw/zinc/15/18/25/1299151825.db2.gz QWSQDGFUDBXWJK-GOSISDBHSA-N 0 3 338.451 3.024 20 10 EGCDHN CC(=O)NC[C@H]1CCCCN1Cc1ccc(N2CCCCC2)cc1 ZINC000877675780 1299471422 /nfs/dbraw/zinc/47/14/22/1299471422.db2.gz UHDYQKGCBKGQAA-HXUWFJFHSA-N 0 3 329.488 3.168 20 10 EGCDHN Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1C[C@@H](C)c3c1c([O-])ccc3F)C2 ZINC000756396984 1300483154 /nfs/dbraw/zinc/48/31/54/1300483154.db2.gz RDCYUGXDPFFIKQ-AKWBHNSASA-N 0 3 327.403 3.325 20 10 EGCDHN C[C@H]1C[C@H]([NH2+]CCc2cn3c(n2)CCCC3)c2c1c(F)ccc2[O-] ZINC000756402661 1300484225 /nfs/dbraw/zinc/48/42/25/1300484225.db2.gz NOFMYBUXIGPQCK-WFASDCNBSA-N 0 3 329.419 3.445 20 10 EGCDHN CC(C)[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)C(=O)N1CCCC1 ZINC000756707277 1300549699 /nfs/dbraw/zinc/54/96/99/1300549699.db2.gz XPMZTRGCWKYQHW-IAISJRAMSA-N 0 3 334.435 3.316 20 10 EGCDHN C[C@@H](CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-])c1ccccc1 ZINC000879648749 1300650401 /nfs/dbraw/zinc/65/04/01/1300650401.db2.gz CDHUZTYJTCEWIO-XHSDSOJGSA-N 0 3 326.440 3.351 20 10 EGCDHN [O-]c1ccccc1C[NH2+]C[C@@H]1CSCCN1Cc1ccccc1 ZINC000758497315 1300899322 /nfs/dbraw/zinc/89/93/22/1300899322.db2.gz ZTQZUKHVRXVGIZ-GOSISDBHSA-N 0 3 328.481 3.099 20 10 EGCDHN CCn1c2ccccc2nc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC000763412397 1301898218 /nfs/dbraw/zinc/89/82/18/1301898218.db2.gz PBNWCLYWWGEAGV-UHFFFAOYSA-N 0 3 349.482 3.420 20 10 EGCDHN C[C@H](NCC(=O)Nc1ccc(F)c(F)c1)c1ccc(N(C)C)cc1 ZINC000764601720 1302099262 /nfs/dbraw/zinc/09/92/62/1302099262.db2.gz ZNJMEUGLQDYOKG-LBPRGKRZSA-N 0 3 333.382 3.320 20 10 EGCDHN C[C@@H](NCc1cccc(C(=O)N(C)C)c1)c1ccc(N(C)C)cc1 ZINC000764774656 1302133888 /nfs/dbraw/zinc/13/38/88/1302133888.db2.gz PJSLVUFVJYCETN-OAHLLOKOSA-N 0 3 325.456 3.305 20 10 EGCDHN CCN(C)c1ccc([C@H](C)NCC(=O)NCc2ccccc2)cc1 ZINC000765384325 1302257709 /nfs/dbraw/zinc/25/77/09/1302257709.db2.gz WUCDHVOBULOHSX-INIZCTEOSA-N 0 3 325.456 3.110 20 10 EGCDHN C[C@H](N[C@@H]1CCCN(C)C1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000766436634 1302452262 /nfs/dbraw/zinc/45/22/62/1302452262.db2.gz KRCDERHPABEUPP-WMLDXEAASA-N 0 3 333.451 3.087 20 10 EGCDHN COc1cccc(O)c1CN1CCN(Cc2cccc(C)c2)CC1 ZINC000768197640 1302853476 /nfs/dbraw/zinc/85/34/76/1302853476.db2.gz WCRRPULWHOOLRT-UHFFFAOYSA-N 0 3 326.440 3.027 20 10 EGCDHN CN(C)c1ccc(CN2CCN(CCc3cccs3)CC2)cc1 ZINC000768358452 1302887498 /nfs/dbraw/zinc/88/74/98/1302887498.db2.gz VTCAFFXEOBFFTH-UHFFFAOYSA-N 0 3 329.513 3.174 20 10 EGCDHN CCCN(Cc1ccccc1F)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768440654 1302904757 /nfs/dbraw/zinc/90/47/57/1302904757.db2.gz UBYWEKTUHFIRDL-GOSISDBHSA-N 0 3 331.387 3.369 20 10 EGCDHN CCC[N@@H+](Cc1ccccc1F)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768440654 1302904764 /nfs/dbraw/zinc/90/47/64/1302904764.db2.gz UBYWEKTUHFIRDL-GOSISDBHSA-N 0 3 331.387 3.369 20 10 EGCDHN CCC[N@H+](Cc1ccccc1F)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768440654 1302904773 /nfs/dbraw/zinc/90/47/73/1302904773.db2.gz UBYWEKTUHFIRDL-GOSISDBHSA-N 0 3 331.387 3.369 20 10 EGCDHN C[N@H+](CCCCc1ccccc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768440200 1302904955 /nfs/dbraw/zinc/90/49/55/1302904955.db2.gz UGPPYXAQJRIWMB-LJQANCHMSA-N 0 3 327.424 3.273 20 10 EGCDHN C[N@@H+](CCCCc1ccccc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768440200 1302904963 /nfs/dbraw/zinc/90/49/63/1302904963.db2.gz UGPPYXAQJRIWMB-LJQANCHMSA-N 0 3 327.424 3.273 20 10 EGCDHN CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)C1(CC)CC ZINC000768463458 1302911338 /nfs/dbraw/zinc/91/13/38/1302911338.db2.gz JGSJPLJOAXIQBE-QXAKKESOSA-N 0 3 349.471 3.234 20 10 EGCDHN CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)C1(CC)CC ZINC000768463458 1302911348 /nfs/dbraw/zinc/91/13/48/1302911348.db2.gz JGSJPLJOAXIQBE-QXAKKESOSA-N 0 3 349.471 3.234 20 10 EGCDHN Cc1csc(C(C)(C)NCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC000771844550 1303449148 /nfs/dbraw/zinc/44/91/48/1303449148.db2.gz ZYBFPNDKMAUBPW-UHFFFAOYSA-N 0 3 344.528 3.228 20 10 EGCDHN C[C@@H](NC[C@H](C)S(C)(=O)=O)c1ccc(N2CCCCCC2)cc1 ZINC000773107611 1303626422 /nfs/dbraw/zinc/62/64/22/1303626422.db2.gz YIQDCZSWYYDQHM-JKSUJKDBSA-N 0 3 338.517 3.151 20 10 EGCDHN C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)NCCc1ccccc1 ZINC000774480357 1303814858 /nfs/dbraw/zinc/81/48/58/1303814858.db2.gz AWKZFODWMPTALT-IAGOWNOFSA-N 0 3 339.483 3.151 20 10 EGCDHN Cc1ccc(C(=O)NC(C)(C)CC[NH+]2CCCCCC2)c([O-])c1O ZINC000775443930 1303965402 /nfs/dbraw/zinc/96/54/02/1303965402.db2.gz BMUAAMHUMGUCOV-UHFFFAOYSA-N 0 3 334.460 3.181 20 10 EGCDHN Cc1ccc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)c(C)n1 ZINC000775648204 1304004355 /nfs/dbraw/zinc/00/43/55/1304004355.db2.gz CXNOWXWKEUQVGQ-MRXNPFEDSA-N 0 3 325.456 3.386 20 10 EGCDHN CN1CCN(c2ccc(CN3CCc4ccc(F)cc4C3)cc2)CC1 ZINC000775702175 1304017958 /nfs/dbraw/zinc/01/79/58/1304017958.db2.gz RPWBRWRRNIMDIH-UHFFFAOYSA-N 0 3 339.458 3.136 20 10 EGCDHN C[C@H]1CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@@H](C)CN1C ZINC000775984358 1304074504 /nfs/dbraw/zinc/07/45/04/1304074504.db2.gz FQOLNTDDIULJFJ-HOTGVXAUSA-N 0 3 346.475 3.110 20 10 EGCDHN C[C@@H]1[C@H](C)N(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCN1C ZINC000775987837 1304076074 /nfs/dbraw/zinc/07/60/74/1304076074.db2.gz WMHSYIRZZXEIOO-CVEARBPZSA-N 0 3 346.475 3.110 20 10 EGCDHN C[C@@H](NCCOC1CCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000777121647 1304254802 /nfs/dbraw/zinc/25/48/02/1304254802.db2.gz OPZCNKDTZHHVNE-CQSZACIVSA-N 0 3 338.879 3.396 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCN(C3CC3)C2)c1[O-] ZINC000779021704 1304519635 /nfs/dbraw/zinc/51/96/35/1304519635.db2.gz GKGGOKZAXIXXAD-YPMHNXCESA-N 0 3 339.277 3.350 20 10 EGCDHN C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000779034232 1304520851 /nfs/dbraw/zinc/52/08/51/1304520851.db2.gz QRJITVVBXFTRCL-OLZOCXBDSA-N 0 3 338.423 3.266 20 10 EGCDHN C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1cc(F)ccc1[O-] ZINC000779034232 1304520857 /nfs/dbraw/zinc/52/08/57/1304520857.db2.gz QRJITVVBXFTRCL-OLZOCXBDSA-N 0 3 338.423 3.266 20 10 EGCDHN CN1CCN(c2ccc(CN3CCc4cc(F)ccc4C3)cc2)CC1 ZINC000779597753 1304585172 /nfs/dbraw/zinc/58/51/72/1304585172.db2.gz FYRXLHCVINIXCL-UHFFFAOYSA-N 0 3 339.458 3.136 20 10 EGCDHN COC(=O)c1ccc(CN(Cc2ccc(N(C)C)cc2)C(C)C)[nH]1 ZINC000781897689 1304887300 /nfs/dbraw/zinc/88/73/00/1304887300.db2.gz SFCDMQAGRQPGHW-UHFFFAOYSA-N 0 3 329.444 3.278 20 10 EGCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000783626166 1305119435 /nfs/dbraw/zinc/11/94/35/1305119435.db2.gz JVUPJCHXWAGCOQ-WMLDXEAASA-N 0 3 338.879 3.026 20 10 EGCDHN CCOc1ccc(C[N@@H+]2CCc3ccc(OC)cc3CC2)c([O-])c1 ZINC000784679767 1305272124 /nfs/dbraw/zinc/27/21/24/1305272124.db2.gz MYFMODFMHORHJG-UHFFFAOYSA-N 0 3 327.424 3.400 20 10 EGCDHN CCOc1ccc(C[N@H+]2CCc3ccc(OC)cc3CC2)c([O-])c1 ZINC000784679767 1305272130 /nfs/dbraw/zinc/27/21/30/1305272130.db2.gz MYFMODFMHORHJG-UHFFFAOYSA-N 0 3 327.424 3.400 20 10 EGCDHN C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2cccc(Br)c2[O-])C1 ZINC000809767937 1317896808 /nfs/dbraw/zinc/89/68/08/1317896808.db2.gz YMERPCAUQJPQOP-DOMZBBRYSA-N 0 3 339.277 3.071 20 10 EGCDHN C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2cccc(Br)c2[O-])C1 ZINC000809767937 1317896815 /nfs/dbraw/zinc/89/68/15/1317896815.db2.gz YMERPCAUQJPQOP-DOMZBBRYSA-N 0 3 339.277 3.071 20 10 EGCDHN COc1cccc([O-])c1C[NH2+]C[C@](C)(Cc1ccccc1)[C@H](C)O ZINC000791003311 1308907733 /nfs/dbraw/zinc/90/77/33/1308907733.db2.gz MOZHJVWXAVGHKH-YWZLYKJASA-N 0 3 329.440 3.120 20 10 EGCDHN Cc1ccc([C@@H](O)CNCc2ccc(N(C)C)cc2C(F)(F)F)o1 ZINC000792994152 1309278278 /nfs/dbraw/zinc/27/82/78/1309278278.db2.gz YDRBVNMBQFGQPG-HNNXBMFYSA-N 0 3 342.361 3.496 20 10 EGCDHN COc1ccc([C@@H](NC(C)C)C(=O)N(C)Cc2ccccc2O)cc1 ZINC000895756081 1309507027 /nfs/dbraw/zinc/50/70/27/1309507027.db2.gz SXDUKQPEYMXYHE-LJQANCHMSA-N 0 3 342.439 3.099 20 10 EGCDHN Cc1cc(CN2CCO[C@@]3(CCO[C@@H]3C)C2)c(O)c(C(C)(C)C)c1 ZINC000794666020 1309566919 /nfs/dbraw/zinc/56/69/19/1309566919.db2.gz MIGREUKPHJINHY-QRWLVFNGSA-N 0 3 333.472 3.378 20 10 EGCDHN CC[C@H]([NH2+]Cc1ccc(OCCOC)nc1)c1ccc(C)cc1[O-] ZINC000794797568 1309597207 /nfs/dbraw/zinc/59/72/07/1309597207.db2.gz OJTGKKNYGWBOOY-KRWDZBQOSA-N 0 3 330.428 3.362 20 10 EGCDHN CC[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000796727892 1310073974 /nfs/dbraw/zinc/07/39/74/1310073974.db2.gz JGVJTOMIKKRSCZ-MPGHIAIKSA-N 0 3 338.467 3.461 20 10 EGCDHN CC[C@@H]1CN(C)CCCN1C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000798266117 1310330122 /nfs/dbraw/zinc/33/01/22/1310330122.db2.gz LLDNMECZFFOBRU-QGZVFWFLSA-N 0 3 340.471 3.045 20 10 EGCDHN CCCC[N@H+](Cc1ccc(OCC(N)=O)cc1)Cc1ccccc1[O-] ZINC000801596235 1310971666 /nfs/dbraw/zinc/97/16/66/1310971666.db2.gz VDZRAXLUZJDVLR-UHFFFAOYSA-N 0 3 342.439 3.059 20 10 EGCDHN CCCC[N@@H+](Cc1ccc(OCC(N)=O)cc1)Cc1ccccc1[O-] ZINC000801596235 1310971672 /nfs/dbraw/zinc/97/16/72/1310971672.db2.gz VDZRAXLUZJDVLR-UHFFFAOYSA-N 0 3 342.439 3.059 20 10 EGCDHN CO[C@H]1CC[N@H+](Cc2cc(Br)cc(C)c2[O-])C[C@H]1C ZINC000824815679 1320287612 /nfs/dbraw/zinc/28/76/12/1320287612.db2.gz WREBUQHJYKGIIP-RISCZKNCSA-N 0 3 328.250 3.320 20 10 EGCDHN CO[C@H]1CC[N@@H+](Cc2cc(Br)cc(C)c2[O-])C[C@H]1C ZINC000824815679 1320287615 /nfs/dbraw/zinc/28/76/15/1320287615.db2.gz WREBUQHJYKGIIP-RISCZKNCSA-N 0 3 328.250 3.320 20 10 EGCDHN CCN(CC)c1ccc(CN(C)C(=O)[C@@H](N)Cc2ccccc2)cc1 ZINC000826019662 1320379035 /nfs/dbraw/zinc/37/90/35/1320379035.db2.gz IRJCQXURGSKVJD-FQEVSTJZSA-N 0 3 339.483 3.061 20 10 EGCDHN C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)N(C)c1ccccc1 ZINC000839564642 1320938327 /nfs/dbraw/zinc/93/83/27/1320938327.db2.gz WKYIGQRLTTVZOM-HZPDHXFCSA-N 0 3 325.456 3.455 20 10 EGCDHN Cc1cc(O)c(CNCc2ccncc2OC[C@@H]2CCOC2)cc1C ZINC000808436233 1317677244 /nfs/dbraw/zinc/67/72/44/1317677244.db2.gz RMISFUQRLSVZEC-MRXNPFEDSA-N 0 3 342.439 3.109 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCCc3c2cnn3CCO)c1[O-] ZINC000808680817 1317715349 /nfs/dbraw/zinc/71/53/49/1317715349.db2.gz PSOXYCXBYCBGEA-LRDDRELGSA-N 0 3 349.862 3.271 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2COc3ccccc3[C@H]2O)c1[O-] ZINC000808729477 1317724158 /nfs/dbraw/zinc/72/41/58/1317724158.db2.gz KQJIXFHFAPHNKY-BKGUAONASA-N 0 3 333.815 3.499 20 10 EGCDHN CCCCNC(=O)OC[C@H]1CCCCN1Cc1cc(F)ccc1O ZINC000809691017 1317865161 /nfs/dbraw/zinc/86/51/61/1317865161.db2.gz GWTYAUXWTINLMP-MRXNPFEDSA-N 0 3 338.423 3.412 20 10 EGCDHN CCCCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000809691017 1317865172 /nfs/dbraw/zinc/86/51/72/1317865172.db2.gz GWTYAUXWTINLMP-MRXNPFEDSA-N 0 3 338.423 3.412 20 10 EGCDHN CCCCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000809691017 1317865183 /nfs/dbraw/zinc/86/51/83/1317865183.db2.gz GWTYAUXWTINLMP-MRXNPFEDSA-N 0 3 338.423 3.412 20 10 EGCDHN C[C@@H](N[C@@H]1CC(=O)N(c2ccccc2F)C1)c1ccc(N(C)C)cc1 ZINC000812739804 1318446078 /nfs/dbraw/zinc/44/60/78/1318446078.db2.gz DYDWAGQKEQDHQT-GDBMZVCRSA-N 0 3 341.430 3.348 20 10 EGCDHN Cc1cc(CNC(C)(C)C(=O)NCC2CCCC2)ccc1N(C)C ZINC000815081094 1318884930 /nfs/dbraw/zinc/88/49/30/1318884930.db2.gz RXHUEWQMOMDTGR-UHFFFAOYSA-N 0 3 331.504 3.236 20 10 EGCDHN COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]Cc2ccc(OC)cc2[O-])C1 ZINC000816597187 1319189992 /nfs/dbraw/zinc/18/99/92/1319189992.db2.gz INUIDRADLVUJIJ-HOCLYGCPSA-N 0 3 335.444 3.393 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c2c1c(F)ccc2[O-] ZINC000817939597 1319468561 /nfs/dbraw/zinc/46/85/61/1319468561.db2.gz CSNPIYXYMYHSDE-CSMYWGQOSA-N 0 3 343.446 3.435 20 10 EGCDHN COC[C@]1(CN[C@H](C)c2cc(Cl)c(Cl)cc2[O-])CCC[NH2+]1 ZINC000817975482 1319482527 /nfs/dbraw/zinc/48/25/27/1319482527.db2.gz VKCNIKMMAMAAPS-MEBBXXQBSA-N 0 3 333.259 3.118 20 10 EGCDHN COc1ccc(N2CC[C@@H](CNCc3c(C)nn(C)c3Cl)C2)cc1 ZINC000818222616 1319523253 /nfs/dbraw/zinc/52/32/53/1319523253.db2.gz ZCCAFGPFUHBTBD-AWEZNQCLSA-N 0 3 348.878 3.007 20 10 EGCDHN CN1CC[N@H+](Cc2c([O-])ccc3ccncc32)[C@@H](c2ccccc2)C1 ZINC000917462775 1319814633 /nfs/dbraw/zinc/81/46/33/1319814633.db2.gz IZDASDADLBAUOE-HXUWFJFHSA-N 0 3 333.435 3.429 20 10 EGCDHN CN1CC[N@@H+](Cc2c([O-])ccc3ccncc32)[C@@H](c2ccccc2)C1 ZINC000917462775 1319814643 /nfs/dbraw/zinc/81/46/43/1319814643.db2.gz IZDASDADLBAUOE-HXUWFJFHSA-N 0 3 333.435 3.429 20 10 EGCDHN c1cn([C@@H]2CCCN(Cc3ccc(N4CCCCC4)cc3)C2)nn1 ZINC000822497400 1320089747 /nfs/dbraw/zinc/08/97/47/1320089747.db2.gz CDTPGDZZFKIXEJ-LJQANCHMSA-N 0 3 325.460 3.106 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+](C)C[C@@](C)(O)c2ccccc2)c1[O-] ZINC000822516559 1320092512 /nfs/dbraw/zinc/09/25/12/1320092512.db2.gz MNBDECZKTGYJFC-GOSISDBHSA-N 0 3 335.831 3.394 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+](C)C[C@@](C)(O)c2ccccc2)c1[O-] ZINC000822516559 1320092516 /nfs/dbraw/zinc/09/25/16/1320092516.db2.gz MNBDECZKTGYJFC-GOSISDBHSA-N 0 3 335.831 3.394 20 10 EGCDHN CC(C)CN(CC(N)=O)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823404357 1320176219 /nfs/dbraw/zinc/17/62/19/1320176219.db2.gz PRYJOEPFWKAFQE-UHFFFAOYSA-N 0 3 345.512 3.328 20 10 EGCDHN COc1ccc(N2CCC(N[C@@H]3C[C@H](C)n4ccnc43)CC2)cc1 ZINC000825016718 1320304141 /nfs/dbraw/zinc/30/41/41/1320304141.db2.gz GXHCEHGEADZBMW-KBXCAEBGSA-N 0 3 326.444 3.156 20 10 EGCDHN Cc1cc([O-])c(CN2CC[N@H+](C3CCOCC3)C[C@H]2C)cc1Cl ZINC000825720149 1320357146 /nfs/dbraw/zinc/35/71/46/1320357146.db2.gz AUZWOQQIIRTNBK-CQSZACIVSA-N 0 3 338.879 3.039 20 10 EGCDHN Cc1cc([O-])c(CN2CC[N@@H+](C3CCOCC3)C[C@H]2C)cc1Cl ZINC000825720149 1320357150 /nfs/dbraw/zinc/35/71/50/1320357150.db2.gz AUZWOQQIIRTNBK-CQSZACIVSA-N 0 3 338.879 3.039 20 10 EGCDHN COC(=O)[C@]1(C)CCC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000840186436 1321045459 /nfs/dbraw/zinc/04/54/59/1321045459.db2.gz ZLUOZLASKAGZPB-HXUWFJFHSA-N 0 3 343.423 3.329 20 10 EGCDHN COC(=O)[C@]1(C)CCC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000840186436 1321045465 /nfs/dbraw/zinc/04/54/65/1321045465.db2.gz ZLUOZLASKAGZPB-HXUWFJFHSA-N 0 3 343.423 3.329 20 10 EGCDHN COc1ccc([C@H](CO)C[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)cc1 ZINC000840808761 1321153621 /nfs/dbraw/zinc/15/36/21/1321153621.db2.gz LPLHMQLAYAKPMC-JDFRZJQESA-N 0 3 345.414 3.454 20 10 EGCDHN COc1cccc(CN2CCN(Cc3ccccc3)[C@H](C)C2)c1O ZINC000840962157 1321187904 /nfs/dbraw/zinc/18/79/04/1321187904.db2.gz IQWQCUBFKARGIG-MRXNPFEDSA-N 0 3 326.440 3.107 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H]2C)c1[O-] ZINC000840962870 1321187973 /nfs/dbraw/zinc/18/79/73/1321187973.db2.gz GWIVGCFIJHOXMN-UTUOFQBUSA-N 0 3 328.250 3.366 20 10 EGCDHN C[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(Cl)cc1[O-] ZINC000841757266 1321307320 /nfs/dbraw/zinc/30/73/20/1321307320.db2.gz CTJIEDPXNTWKJS-UONOGXRCSA-N 0 3 338.879 3.197 20 10 EGCDHN CCn1cncc1C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000841864843 1321325225 /nfs/dbraw/zinc/32/52/25/1321325225.db2.gz ZFFBKTDYSKNVOH-INIZCTEOSA-N 0 3 348.878 3.016 20 10 EGCDHN Cc1cc(C(=O)CON=C(N)CC2CC2)c(C)n1-c1ccc(F)cn1 ZINC000842032915 1321337830 /nfs/dbraw/zinc/33/78/30/1321337830.db2.gz JNFGLUOYWMYYRF-UHFFFAOYSA-N 0 3 344.390 3.110 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]CCc2cn3c(cccc3C)n2)c1[O-] ZINC000843436946 1321518312 /nfs/dbraw/zinc/51/83/12/1321518312.db2.gz SFEHGABTQMZQOG-UHFFFAOYSA-N 0 3 345.830 3.343 20 10 EGCDHN CCc1cccc(CN2CCN([C@H](C)c3cccnc3)CC2)c1O ZINC000848886897 1322030278 /nfs/dbraw/zinc/03/02/78/1322030278.db2.gz KEJPDKOZYNEGEA-MRXNPFEDSA-N 0 3 325.456 3.228 20 10 EGCDHN COc1cc(CNC[C@H](OC)C(F)(F)F)c(O)c(C(C)(C)C)c1 ZINC000850135712 1322197486 /nfs/dbraw/zinc/19/74/86/1322197486.db2.gz PPBGJDRIELNWKS-ZDUSSCGKSA-N 0 3 335.366 3.365 20 10 EGCDHN COc1cc(CNC(C)(C)c2cnn(C)c2)c(O)c(C(C)(C)C)c1 ZINC000850158524 1322200935 /nfs/dbraw/zinc/20/09/35/1322200935.db2.gz HNMQIMQGJLDAAS-UHFFFAOYSA-N 0 3 331.460 3.457 20 10 EGCDHN C[C@H](NCC(=O)Nc1ccc(Cl)nc1)c1ccc(N(C)C)cc1 ZINC000851949992 1323121328 /nfs/dbraw/zinc/12/13/28/1323121328.db2.gz LCXDDOQUMNDPTQ-LBPRGKRZSA-N 0 3 332.835 3.090 20 10 EGCDHN CCN(CCC(F)(F)F)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001323305515 1387330597 /nfs/dbraw/zinc/33/05/97/1387330597.db2.gz XQONZNCMUDWEOV-UHFFFAOYSA-N 0 3 347.400 3.352 20 10 EGCDHN Oc1ccccc1CN1CCN(c2ncccc2C(F)(F)F)CC1 ZINC001203546967 1370164738 /nfs/dbraw/zinc/16/47/38/1370164738.db2.gz DLDHMPKOIYQECE-UHFFFAOYSA-N 0 3 337.345 3.128 20 10 EGCDHN CCOc1cccc(CN2CCCC[C@@](O)(C(F)(F)F)C2)c1O ZINC001203603216 1370184957 /nfs/dbraw/zinc/18/49/57/1370184957.db2.gz KUZIZSLTTMDVMH-HNNXBMFYSA-N 0 3 333.350 3.070 20 10 EGCDHN COc1ccc(CN2CCCN(C(=O)C3CCCCC3)CC2)c(O)c1 ZINC001203634401 1370195053 /nfs/dbraw/zinc/19/50/53/1370195053.db2.gz DLOYZGXXHMBXGQ-UHFFFAOYSA-N 0 3 346.471 3.015 20 10 EGCDHN COC(=O)C[C@@H](C)N(Cc1ccccc1)Cc1ccc(O)c(O)c1 ZINC001203880000 1370297041 /nfs/dbraw/zinc/29/70/41/1370297041.db2.gz IIMRYSBZRXUXSB-CQSZACIVSA-N 0 3 329.396 3.052 20 10 EGCDHN CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(O)c(O)c1 ZINC001203882528 1370298485 /nfs/dbraw/zinc/29/84/85/1370298485.db2.gz KMIWKGJRJBORMP-QDMKHBRRSA-N 0 3 348.443 3.118 20 10 EGCDHN CN(C)c1ccc(CN2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc1 ZINC001203931005 1370319139 /nfs/dbraw/zinc/31/91/39/1370319139.db2.gz KOVVXLFSNLJBCR-FUHWJXTLSA-N 0 3 345.487 3.194 20 10 EGCDHN COC(=O)C[C@H](C)[N@H+](Cc1ccccc1)Cc1ccc(O)cc1[O-] ZINC001204279965 1370429739 /nfs/dbraw/zinc/42/97/39/1370429739.db2.gz GSZDBYPSGDPGEF-AWEZNQCLSA-N 0 3 329.396 3.052 20 10 EGCDHN COC(=O)C[C@H](C)[N@@H+](Cc1ccccc1)Cc1ccc(O)cc1[O-] ZINC001204279965 1370429743 /nfs/dbraw/zinc/42/97/43/1370429743.db2.gz GSZDBYPSGDPGEF-AWEZNQCLSA-N 0 3 329.396 3.052 20 10 EGCDHN Cc1cc(Br)c([O-])c(CN2CCC[C@@H](C[NH3+])[C@@H]2C)c1 ZINC001205912849 1370908560 /nfs/dbraw/zinc/90/85/60/1370908560.db2.gz DBIWQEHHVBAZAR-RYUDHWBXSA-N 0 3 327.266 3.022 20 10 EGCDHN CCOc1ccc(N2CCN(CCc3ccccc3OC)CC2)cc1 ZINC001207461974 1371403273 /nfs/dbraw/zinc/40/32/73/1371403273.db2.gz XBHJUTJINLWFMS-UHFFFAOYSA-N 0 3 340.467 3.459 20 10 EGCDHN COc1ccc(Br)c(C[NH+]2CCC(C)(OC)CC2)c1[O-] ZINC001231548688 1376261509 /nfs/dbraw/zinc/26/15/09/1376261509.db2.gz XAVXTCINESIAOQ-UHFFFAOYSA-N 0 3 344.249 3.164 20 10 EGCDHN COc1ccc(Br)c(CN2CCC(C)(OC)CC2)c1O ZINC001231548688 1376261512 /nfs/dbraw/zinc/26/15/12/1376261512.db2.gz XAVXTCINESIAOQ-UHFFFAOYSA-N 0 3 344.249 3.164 20 10 EGCDHN CCOc1ccc(N2CCN(Cc3cc4c[nH]ccc-4n3)CC2)cc1 ZINC001232018337 1376385742 /nfs/dbraw/zinc/38/57/42/1376385742.db2.gz IQCUDEXVJXKRQA-UHFFFAOYSA-N 0 3 336.439 3.284 20 10 EGCDHN CC(C)(C)c1ccc(O)c(CN2CCN(c3ccccn3)CC2)c1 ZINC001233283299 1376603678 /nfs/dbraw/zinc/60/36/78/1376603678.db2.gz AWHMTFJMMHJFMN-UHFFFAOYSA-N 0 3 325.456 3.407 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+](C)C[C@H]2Cc3ccccc3O2)c1[O-] ZINC001233291307 1376606452 /nfs/dbraw/zinc/60/64/52/1376606452.db2.gz VQPQGXYJLRAUGE-OAHLLOKOSA-N 0 3 333.815 3.490 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+](C)C[C@H]2Cc3ccccc3O2)c1[O-] ZINC001233291307 1376606453 /nfs/dbraw/zinc/60/64/53/1376606453.db2.gz VQPQGXYJLRAUGE-OAHLLOKOSA-N 0 3 333.815 3.490 20 10 EGCDHN [O-]c1c(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)cccc1OC(F)(F)F ZINC001233736041 1376706258 /nfs/dbraw/zinc/70/62/58/1376706258.db2.gz BSOAQPJQQMHABU-RISCZKNCSA-N 0 3 331.334 3.292 20 10 EGCDHN [O-]c1c(C[N@H+]2CC[C@H]3CCCO[C@H]3C2)cccc1OC(F)(F)F ZINC001233736041 1376706261 /nfs/dbraw/zinc/70/62/61/1376706261.db2.gz BSOAQPJQQMHABU-RISCZKNCSA-N 0 3 331.334 3.292 20 10 EGCDHN [O-]c1c(C[N@@H+]2CC[C@]3(C2)CCCOC3)cccc1OC(F)(F)F ZINC001233768305 1376712395 /nfs/dbraw/zinc/71/23/95/1376712395.db2.gz OXAUKGFTGXITAK-HNNXBMFYSA-N 0 3 331.334 3.293 20 10 EGCDHN [O-]c1c(C[N@H+]2CC[C@]3(C2)CCCOC3)cccc1OC(F)(F)F ZINC001233768305 1376712398 /nfs/dbraw/zinc/71/23/98/1376712398.db2.gz OXAUKGFTGXITAK-HNNXBMFYSA-N 0 3 331.334 3.293 20 10 EGCDHN CCOC(=O)C1(F)CC[NH+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001236842838 1376966042 /nfs/dbraw/zinc/96/60/42/1376966042.db2.gz ZCTSOTJAHXADRU-UHFFFAOYSA-N 0 3 331.387 3.413 20 10 EGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CCC[C@]2(CCO2)C1 ZINC001237057771 1376974144 /nfs/dbraw/zinc/97/41/44/1376974144.db2.gz DTMIEDIWPSERGR-HNNXBMFYSA-N 0 3 331.334 3.088 20 10 EGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CCC[C@]2(CCO2)C1 ZINC001237057771 1376974148 /nfs/dbraw/zinc/97/41/48/1376974148.db2.gz DTMIEDIWPSERGR-HNNXBMFYSA-N 0 3 331.334 3.088 20 10 EGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CCC[C@@]12CCOC2 ZINC001237061047 1376974248 /nfs/dbraw/zinc/97/42/48/1376974248.db2.gz ZZYAZLKCYBDCOD-HNNXBMFYSA-N 0 3 331.334 3.088 20 10 EGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CCC[C@@]12CCOC2 ZINC001237061047 1376974250 /nfs/dbraw/zinc/97/42/50/1376974250.db2.gz ZZYAZLKCYBDCOD-HNNXBMFYSA-N 0 3 331.334 3.088 20 10 EGCDHN COC(=O)Cc1ccc(C[N@H+](C)CCc2ccc(Cl)cc2)c([O-])c1 ZINC001249207922 1377072428 /nfs/dbraw/zinc/07/24/28/1377072428.db2.gz MJMBMDKPAQITCR-UHFFFAOYSA-N 0 3 347.842 3.436 20 10 EGCDHN COC(=O)Cc1ccc(C[N@@H+](C)CCc2ccc(Cl)cc2)c([O-])c1 ZINC001249207922 1377072435 /nfs/dbraw/zinc/07/24/35/1377072435.db2.gz MJMBMDKPAQITCR-UHFFFAOYSA-N 0 3 347.842 3.436 20 10 EGCDHN Cc1c(CN2CCC[C@@H](NC(=O)C(C)C)C2)c2ccccc2n1C ZINC001138259905 1377694670 /nfs/dbraw/zinc/69/46/70/1377694670.db2.gz QQEGDEOCXWSABO-MRXNPFEDSA-N 0 3 327.472 3.223 20 10 EGCDHN Cc1c(CN2CCCC[C@@H]2C(=O)N2CCCC2)c2ccccc2n1C ZINC001138256784 1377694948 /nfs/dbraw/zinc/69/49/48/1377694948.db2.gz KPLYWRZNCYXGPJ-HXUWFJFHSA-N 0 3 339.483 3.464 20 10 EGCDHN Oc1c(CN2CC3(C2)C[C@@H](F)CS3)cc2c3c1CCCN3CCC2 ZINC001138339465 1377705409 /nfs/dbraw/zinc/70/54/09/1377705409.db2.gz FZMGSZBWXIXYLC-OAHLLOKOSA-N 0 3 348.487 3.120 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC[C@H](CC(=O)OC)C2)c(OC)c1 ZINC001138390401 1377714318 /nfs/dbraw/zinc/71/43/18/1377714318.db2.gz VNKASLMXCBPHPE-MRXNPFEDSA-N 0 3 348.487 3.317 20 10 EGCDHN CN1CCN(c2ccc(CN3CCCC(F)(F)[C@@H](F)C3)cc2)CC1 ZINC001139407950 1377880745 /nfs/dbraw/zinc/88/07/45/1377880745.db2.gz HRRKTHJQGDOYDU-KRWDZBQOSA-N 0 3 341.421 3.008 20 10 EGCDHN CCc1nc(C2CCN(Cc3ccc(N(C)C)c(C)c3)CC2)no1 ZINC001139673510 1377931552 /nfs/dbraw/zinc/93/15/52/1377931552.db2.gz IXGAUWWOSQVLML-UHFFFAOYSA-N 0 3 328.460 3.386 20 10 EGCDHN [O-]c1c(F)ccc(F)c1C[NH+]1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001139683343 1377933734 /nfs/dbraw/zinc/93/37/34/1377933734.db2.gz LTEBWSLNCMZDMB-HOTGVXAUSA-N 0 3 344.405 3.234 20 10 EGCDHN O=C(NC1CC[NH+](Cc2cc(F)ccc2[O-])CC1)c1cccc(F)c1 ZINC001140060103 1377998474 /nfs/dbraw/zinc/99/84/74/1377998474.db2.gz KOGXECLNLLIJJS-UHFFFAOYSA-N 0 3 346.377 3.065 20 10 EGCDHN CC(=O)OC[C@@H]1CCC2(C1)CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001140059943 1377998493 /nfs/dbraw/zinc/99/84/93/1377998493.db2.gz BTLGYRIQNONRIN-OAHLLOKOSA-N 0 3 335.419 3.477 20 10 EGCDHN Cc1ccc(C)c(CN2CCN(Cc3cccc(F)c3)CC2)c1O ZINC001140179090 1378026566 /nfs/dbraw/zinc/02/65/66/1378026566.db2.gz GRLUMIJCJPFAJE-UHFFFAOYSA-N 0 3 328.431 3.466 20 10 EGCDHN Cc1ccc(C)c(CN2CCN(c3ccc(Cl)cn3)CC2)c1O ZINC001140182734 1378026998 /nfs/dbraw/zinc/02/69/98/1378026998.db2.gz YNBZBWGAOCDFTQ-UHFFFAOYSA-N 0 3 331.847 3.380 20 10 EGCDHN Fc1cc(N2CCOCC2)ccc1CN1CC[C@H](c2cccnc2)C1 ZINC001140661531 1378109456 /nfs/dbraw/zinc/10/94/56/1378109456.db2.gz IGLHBBXWFINXMQ-KRWDZBQOSA-N 0 3 341.430 3.047 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC(O)(C(F)(F)F)CC2)c(O)c1 ZINC001140850836 1378158423 /nfs/dbraw/zinc/15/84/23/1378158423.db2.gz WIGAJRWKUGTRRJ-UHFFFAOYSA-N 0 3 346.393 3.128 20 10 EGCDHN Cc1ccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4ccsc4)C3)C2)c([O-])c1 ZINC001140950517 1378189627 /nfs/dbraw/zinc/18/96/27/1378189627.db2.gz WSQNQAWZJAICCW-LJQANCHMSA-N 0 3 342.464 3.391 20 10 EGCDHN Cc1ccc(C[N@H+]2CC[C@@]3(CC(=O)N(c4ccsc4)C3)C2)c([O-])c1 ZINC001140950517 1378189630 /nfs/dbraw/zinc/18/96/30/1378189630.db2.gz WSQNQAWZJAICCW-LJQANCHMSA-N 0 3 342.464 3.391 20 10 EGCDHN Cc1ccc(CN2CCCN(C(=O)C3CCCCC3)CC2)c(O)c1 ZINC001140957478 1378193538 /nfs/dbraw/zinc/19/35/38/1378193538.db2.gz AIVPFUFKKRBOGC-UHFFFAOYSA-N 0 3 330.472 3.315 20 10 EGCDHN COc1cc([O-])c(C[N@@H+]2CC[C@H](c3ccccc3OC)C2)c(OC)c1 ZINC001141031572 1378214161 /nfs/dbraw/zinc/21/41/61/1378214161.db2.gz IBYKMNCHVAUSRR-AWEZNQCLSA-N 0 3 343.423 3.408 20 10 EGCDHN COc1cc([O-])c(C[N@H+]2CC[C@H](c3ccccc3OC)C2)c(OC)c1 ZINC001141031572 1378214163 /nfs/dbraw/zinc/21/41/63/1378214163.db2.gz IBYKMNCHVAUSRR-AWEZNQCLSA-N 0 3 343.423 3.408 20 10 EGCDHN CCOC[C@@]12CCC[C@@H]1C[N@H+](Cc1c([O-])cc(OC)cc1OC)C2 ZINC001141034982 1378214886 /nfs/dbraw/zinc/21/48/86/1378214886.db2.gz YBPWGJPLWAHUJK-KUHUBIRLSA-N 0 3 335.444 3.048 20 10 EGCDHN CCOC[C@@]12CCC[C@@H]1C[N@@H+](Cc1c([O-])cc(OC)cc1OC)C2 ZINC001141034982 1378214891 /nfs/dbraw/zinc/21/48/91/1378214891.db2.gz YBPWGJPLWAHUJK-KUHUBIRLSA-N 0 3 335.444 3.048 20 10 EGCDHN CCCCc1ncc(CN(C)Cc2ccc(N3CCOCC3)cc2)[nH]1 ZINC001141070114 1378229530 /nfs/dbraw/zinc/22/95/30/1378229530.db2.gz PLIUGNMYIIYYDD-UHFFFAOYSA-N 0 3 342.487 3.221 20 10 EGCDHN O=C(c1ccccc1)N1CCC[C@@H]([N@H+]2CCc3cccc([O-])c3C2)C1 ZINC001169780795 1384185757 /nfs/dbraw/zinc/18/57/57/1384185757.db2.gz BMPZXSBVNGMKPC-GOSISDBHSA-N 0 3 336.435 3.055 20 10 EGCDHN O=C(c1ccccc1)N1CCC[C@@H]([N@@H+]2CCc3cccc([O-])c3C2)C1 ZINC001169780795 1384185762 /nfs/dbraw/zinc/18/57/62/1384185762.db2.gz BMPZXSBVNGMKPC-GOSISDBHSA-N 0 3 336.435 3.055 20 10 EGCDHN Oc1cc2ccccc2cc1CNc1ccc2c(c1)COC21CNC1 ZINC001171408000 1384514350 /nfs/dbraw/zinc/51/43/50/1384514350.db2.gz ZHWUMGCLPKXNKJ-UHFFFAOYSA-N 0 3 332.403 3.486 20 10 EGCDHN CC(C)(NCc1ccc(N2CCCC2)cc1)C(=O)NCC1CCCC1 ZINC001320082388 1386499620 /nfs/dbraw/zinc/49/96/20/1386499620.db2.gz WOQVRHZCJQANPR-UHFFFAOYSA-N 0 3 343.515 3.461 20 10 EGCDHN CCCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCCCN1C ZINC001347041779 1390995202 /nfs/dbraw/zinc/99/52/02/1390995202.db2.gz GERUIXJIVWFHMB-QGZVFWFLSA-N 0 3 333.476 3.188 20 10 EGCDHN COc1ccc(CNC/C=C\CNC(=O)C2CCCCC2)cc1C ZINC001754091162 1440540599 /nfs/dbraw/zinc/54/05/99/1440540599.db2.gz UZRPYFYQUDZLJP-SREVYHEPSA-N 0 3 330.472 3.346 20 10 EGCDHN CC(C)Oc1ccc([C@H](O)C[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000297546621 202127039 /nfs/dbraw/zinc/12/70/39/202127039.db2.gz FIJADKVLXIRRQK-PKOBYXMFSA-N 0 3 327.424 3.490 20 10 EGCDHN C[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccccc1N(C)C ZINC000093942936 454180883 /nfs/dbraw/zinc/18/08/83/454180883.db2.gz AWSHKIOQEKVOFN-KRWDZBQOSA-N 0 3 339.483 3.440 20 10 EGCDHN COc1cccc(C[N@H+](C)C2CCN(Cc3ccccc3)CC2)c1[O-] ZINC000119323791 454186734 /nfs/dbraw/zinc/18/67/34/454186734.db2.gz MHEZCEPNVDIVRH-UHFFFAOYSA-N 0 3 340.467 3.497 20 10 EGCDHN COc1cccc(C[N@@H+](C)C2CCN(Cc3ccccc3)CC2)c1[O-] ZINC000119323791 454186740 /nfs/dbraw/zinc/18/67/40/454186740.db2.gz MHEZCEPNVDIVRH-UHFFFAOYSA-N 0 3 340.467 3.497 20 10 EGCDHN CCC(=O)N1CC[C@H](N[C@@H](C)c2ccc(N3CCCCC3)c(F)c2)C1 ZINC000126395196 454890936 /nfs/dbraw/zinc/89/09/36/454890936.db2.gz OTMOXGRJLNWRAM-RDJZCZTQSA-N 0 3 347.478 3.478 20 10 EGCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc1C ZINC000170638589 454946069 /nfs/dbraw/zinc/94/60/69/454946069.db2.gz ZSHKBVSNQUQYFF-OAHLLOKOSA-N 0 3 334.460 3.356 20 10 EGCDHN Cc1cc([O-])c(C[N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc1C ZINC000170638589 454946070 /nfs/dbraw/zinc/94/60/70/454946070.db2.gz ZSHKBVSNQUQYFF-OAHLLOKOSA-N 0 3 334.460 3.356 20 10 EGCDHN C[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)[C@@H](N)c1ccccc1 ZINC000178710678 454968031 /nfs/dbraw/zinc/96/80/31/454968031.db2.gz AITKHVXJWIWNQB-OXJNMPFZSA-N 0 3 337.467 3.239 20 10 EGCDHN CC[C@@H]([NH2+]CCNc1nccc(C(F)(F)F)n1)c1ccccc1[O-] ZINC000155917141 455062537 /nfs/dbraw/zinc/06/25/37/455062537.db2.gz BQDPYHVLRJZBNO-GFCCVEGCSA-N 0 3 340.349 3.354 20 10 EGCDHN Cc1cccc(CN2CCN(c3ncnc4sccc43)CC2)c1O ZINC000179663832 455065253 /nfs/dbraw/zinc/06/52/53/455065253.db2.gz YQWGSZXOHHCCLP-UHFFFAOYSA-N 0 3 340.452 3.028 20 10 EGCDHN COc1cccc(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c1[O-] ZINC000179745498 455072448 /nfs/dbraw/zinc/07/24/48/455072448.db2.gz BYDWROMLELOIAI-UHFFFAOYSA-N 0 3 340.423 3.252 20 10 EGCDHN C[N@H+](Cc1cc(F)ccc1[O-])C1CCN(CCc2ccccn2)CC1 ZINC000180009532 455115596 /nfs/dbraw/zinc/11/55/96/455115596.db2.gz MAALNLCOYQDQPK-UHFFFAOYSA-N 0 3 343.446 3.065 20 10 EGCDHN C[N@@H+](Cc1cc(F)ccc1[O-])C1CCN(CCc2ccccn2)CC1 ZINC000180009532 455115598 /nfs/dbraw/zinc/11/55/98/455115598.db2.gz MAALNLCOYQDQPK-UHFFFAOYSA-N 0 3 343.446 3.065 20 10 EGCDHN C[C@H](NCC(=O)N(C)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000119085658 455124544 /nfs/dbraw/zinc/12/45/44/455124544.db2.gz FHYNLYXJXWIZLD-INIZCTEOSA-N 0 3 325.456 3.062 20 10 EGCDHN CN(C)Cc1c2ccccc2oc1C(=O)NCCc1ccc(N)cc1 ZINC000152544419 455134290 /nfs/dbraw/zinc/13/42/90/455134290.db2.gz BLULZHCAPCBAMD-UHFFFAOYSA-N 0 3 337.423 3.049 20 10 EGCDHN CCOc1cccc(C[NH2+]C[C@](C)(O)c2ccccc2Cl)c1[O-] ZINC000156736277 455147388 /nfs/dbraw/zinc/14/73/88/455147388.db2.gz GTTBCYCLGRTVPJ-SFHVURJKSA-N 0 3 335.831 3.442 20 10 EGCDHN CN(c1ccc(CNC(=O)C2CCN(C)CC2)cc1)C1CCCCC1 ZINC000172713615 455176497 /nfs/dbraw/zinc/17/64/97/455176497.db2.gz PTEOZAQZNMOFNI-UHFFFAOYSA-N 0 3 343.515 3.414 20 10 EGCDHN CC[C@H](O)CN(Cc1ccccc1)Cc1cc(OC)c(OC)cc1O ZINC000180481163 455178850 /nfs/dbraw/zinc/17/88/50/455178850.db2.gz RMCPEJRQHRPVNN-KRWDZBQOSA-N 0 3 345.439 3.183 20 10 EGCDHN CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1cc(OC)c(OC)cc1[O-] ZINC000180481163 455178853 /nfs/dbraw/zinc/17/88/53/455178853.db2.gz RMCPEJRQHRPVNN-KRWDZBQOSA-N 0 3 345.439 3.183 20 10 EGCDHN CC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1cc(OC)c(OC)cc1[O-] ZINC000180481163 455178859 /nfs/dbraw/zinc/17/88/59/455178859.db2.gz RMCPEJRQHRPVNN-KRWDZBQOSA-N 0 3 345.439 3.183 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@@]3(CCOC3)C2)c1[O-] ZINC000180615610 455209256 /nfs/dbraw/zinc/20/92/56/455209256.db2.gz CERYWYSKZFZFLI-OAHLLOKOSA-N 0 3 326.234 3.076 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c1[O-] ZINC000180615610 455209252 /nfs/dbraw/zinc/20/92/52/455209252.db2.gz CERYWYSKZFZFLI-OAHLLOKOSA-N 0 3 326.234 3.076 20 10 EGCDHN C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)c1ccccc1[O-] ZINC000183378689 455285095 /nfs/dbraw/zinc/28/50/95/455285095.db2.gz PQQIXLZHHUOQTN-ZBFHGGJFSA-N 0 3 332.469 3.178 20 10 EGCDHN C[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccccc1[O-] ZINC000183474523 455297921 /nfs/dbraw/zinc/29/79/21/455297921.db2.gz UXZLRWHMTGLYFS-VQIMIIECSA-N 0 3 338.451 3.277 20 10 EGCDHN C[C@H]([NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F)c1ccccc1[O-] ZINC000183487025 455299009 /nfs/dbraw/zinc/29/90/09/455299009.db2.gz DFDIIFWSZXQMBE-BLLLJJGKSA-N 0 3 325.330 3.493 20 10 EGCDHN Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000158568386 455313118 /nfs/dbraw/zinc/31/31/18/455313118.db2.gz FTCJUZVFRBFKOF-CABCVRRESA-N 0 3 333.453 3.214 20 10 EGCDHN Cc1ccc([C@@H](C[NH2+]Cc2cc(C)c(C)cc2[O-])N2CCOCC2)o1 ZINC000174251798 455374210 /nfs/dbraw/zinc/37/42/10/455374210.db2.gz UWYCEHPSAGAXEC-GOSISDBHSA-N 0 3 344.455 3.074 20 10 EGCDHN COc1cccc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c1O ZINC000160194054 455437669 /nfs/dbraw/zinc/43/76/69/455437669.db2.gz VANLKBOVSFFHDG-QGZVFWFLSA-N 0 3 343.423 3.288 20 10 EGCDHN COc1cccc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c1O ZINC000160194054 455437671 /nfs/dbraw/zinc/43/76/71/455437671.db2.gz VANLKBOVSFFHDG-QGZVFWFLSA-N 0 3 343.423 3.288 20 10 EGCDHN COc1ccccc1[C@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000160276557 455443962 /nfs/dbraw/zinc/44/39/62/455443962.db2.gz ZZJNBYUMMFDKOU-AWEZNQCLSA-N 0 3 343.423 3.408 20 10 EGCDHN COc1ccccc1[C@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000160276557 455443965 /nfs/dbraw/zinc/44/39/65/455443965.db2.gz ZZJNBYUMMFDKOU-AWEZNQCLSA-N 0 3 343.423 3.408 20 10 EGCDHN COc1ccc([O-])c(C[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)c1 ZINC000184788831 455448486 /nfs/dbraw/zinc/44/84/86/455448486.db2.gz VWBTUUOOCGYNJQ-IBGZPJMESA-N 0 3 327.424 3.174 20 10 EGCDHN COc1ccc([O-])c(C[N@@H+](Cc2ccccc2)[C@@H](CO)C2CC2)c1 ZINC000184788831 455448492 /nfs/dbraw/zinc/44/84/92/455448492.db2.gz VWBTUUOOCGYNJQ-IBGZPJMESA-N 0 3 327.424 3.174 20 10 EGCDHN C[C@@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1cc(F)ccc1[O-] ZINC000185069329 455496449 /nfs/dbraw/zinc/49/64/49/455496449.db2.gz BQCROHLPIIFNGJ-CQSZACIVSA-N 0 3 329.419 3.242 20 10 EGCDHN COc1ccc(O)c([C@@H](C)NCc2ccc(-n3ccnc3C)nc2)c1 ZINC000185084248 455498682 /nfs/dbraw/zinc/49/86/82/455498682.db2.gz DNZPUPFXWQEAHE-CYBMUJFWSA-N 0 3 338.411 3.141 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCc2ccc(-n3ccnc3C)nc2)c1 ZINC000185084227 455498967 /nfs/dbraw/zinc/49/89/67/455498967.db2.gz DNZPUPFXWQEAHE-ZDUSSCGKSA-N 0 3 338.411 3.141 20 10 EGCDHN CNS(=O)(=O)c1cccc([C@H](C)N[C@H](C)c2cc(C)ccc2O)c1 ZINC000185322463 455539888 /nfs/dbraw/zinc/53/98/88/455539888.db2.gz CRHHVFUKRHDAHF-UONOGXRCSA-N 0 3 348.468 3.021 20 10 EGCDHN C[C@H]([NH2+]CC1(N(C)C)CCOCC1)c1cc2c(cc1[O-])CCCC2 ZINC000185449970 455559006 /nfs/dbraw/zinc/55/90/06/455559006.db2.gz IBQXUJNJEKRPAT-HNNXBMFYSA-N 0 3 332.488 3.032 20 10 EGCDHN CCOCCCN1CC[C@@H]([NH2+][C@@H](C)c2cc(C)ccc2[O-])[C@H](C)C1 ZINC000185461131 455560719 /nfs/dbraw/zinc/56/07/19/455560719.db2.gz OFZSCEKHRUMHMI-ZIFCJYIRSA-N 0 3 334.504 3.488 20 10 EGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCc2cccc(C(=O)N(C)C)c2)c1 ZINC000185547061 455576735 /nfs/dbraw/zinc/57/67/35/455576735.db2.gz JWOQAMBUNOZTED-OAHLLOKOSA-N 0 3 326.440 3.296 20 10 EGCDHN CCOc1ccc(O)c(CN[C@@H](CN(C)C)c2ccc(OC)cc2)c1 ZINC000283960241 455616930 /nfs/dbraw/zinc/61/69/30/455616930.db2.gz KPMQMUIAXZMIGC-IBGZPJMESA-N 0 3 344.455 3.192 20 10 EGCDHN CN(C)c1ccc(CN(C)C(=O)CN(C2CCC2)C2CCC2)cc1 ZINC000292289996 455620479 /nfs/dbraw/zinc/62/04/79/455620479.db2.gz CJWFAMHEGLQMPJ-UHFFFAOYSA-N 0 3 329.488 3.118 20 10 EGCDHN CCN(Cc1ccc(N(C)C)cc1)Cc1cc(OC)c(O)c(OC)c1 ZINC000284324492 455669339 /nfs/dbraw/zinc/66/93/39/455669339.db2.gz WOTYVUCJPXULSQ-UHFFFAOYSA-N 0 3 344.455 3.498 20 10 EGCDHN Cc1ccc(O)c([C@H](C)N[C@H]2CCN(c3ccccc3F)C2=O)c1 ZINC000186022471 455678371 /nfs/dbraw/zinc/67/83/71/455678371.db2.gz VBCCCIVGYUQVAZ-BBRMVZONSA-N 0 3 328.387 3.296 20 10 EGCDHN COc1cc(O)c(CN2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)cc1OC ZINC000284460307 455689145 /nfs/dbraw/zinc/68/91/45/455689145.db2.gz QPVIHQYJRGQOCT-LSDHHAIUSA-N 0 3 346.254 3.425 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]CCCN2C(=O)COc3ccccc32)c([O-])c1 ZINC000186078902 455689834 /nfs/dbraw/zinc/68/98/34/455689834.db2.gz RVURXCGAGKBVKG-OAHLLOKOSA-N 0 3 340.423 3.167 20 10 EGCDHN COc1ccccc1N1CC[C@@H](N[C@H](C)c2cc(C)ccc2O)C1=O ZINC000186101979 455694023 /nfs/dbraw/zinc/69/40/23/455694023.db2.gz XMUGTEXEUIPZFH-GDBMZVCRSA-N 0 3 340.423 3.165 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(N3CCCC3=O)cc2)c1 ZINC000192927728 455718700 /nfs/dbraw/zinc/71/87/00/455718700.db2.gz LACXBASGZNGSNO-CQSZACIVSA-N 0 3 340.423 3.378 20 10 EGCDHN COc1ccc(O)c([C@@H](C)NCc2ccc(N3CCCC3=O)cc2)c1 ZINC000192927728 455718704 /nfs/dbraw/zinc/71/87/04/455718704.db2.gz LACXBASGZNGSNO-CQSZACIVSA-N 0 3 340.423 3.378 20 10 EGCDHN CC(C)n1nccc1[C@H]1OCC[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000284670498 455723253 /nfs/dbraw/zinc/72/32/53/455723253.db2.gz HPQAZXDREDLOQP-LPHOPBHVSA-N 0 3 327.428 3.019 20 10 EGCDHN CCS(=O)(=O)c1ccc(CN[C@@H](C)c2cc(C)ccc2O)cc1 ZINC000186372799 455753801 /nfs/dbraw/zinc/75/38/01/455753801.db2.gz SZHJNAZXYVCRIS-AWEZNQCLSA-N 0 3 333.453 3.345 20 10 EGCDHN Cc1ccc([C@H](O)C[NH2+]Cc2cc(Br)cc(C)c2[O-])o1 ZINC000271795390 455762793 /nfs/dbraw/zinc/76/27/93/455762793.db2.gz HRSQQLHTJLYPPI-CYBMUJFWSA-N 0 3 340.217 3.188 20 10 EGCDHN CCOc1cccc(CN2CCC(Oc3ncccc3F)CC2)c1O ZINC000278228365 455792099 /nfs/dbraw/zinc/79/20/99/455792099.db2.gz KBVCAKBIPPGFDG-UHFFFAOYSA-N 0 3 346.402 3.368 20 10 EGCDHN COCCOc1ncccc1CN[C@@H](C)c1c(C)cc(C)cc1O ZINC000293771168 455797050 /nfs/dbraw/zinc/79/70/50/455797050.db2.gz PQMQUXRSVCLJPQ-HNNXBMFYSA-N 0 3 330.428 3.280 20 10 EGCDHN CC(C)(CO)CC[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000294774222 455827616 /nfs/dbraw/zinc/82/76/16/455827616.db2.gz KLVJPLGIBVFVGY-UHFFFAOYSA-N 0 3 329.440 3.469 20 10 EGCDHN CCCNC(=O)CNCc1ccc(N(C)Cc2cccs2)cc1 ZINC000294899413 455830807 /nfs/dbraw/zinc/83/08/07/455830807.db2.gz ZAOPGIASWKXVJR-UHFFFAOYSA-N 0 3 331.485 3.000 20 10 EGCDHN CCOc1ccc(O)c(CNCc2ccc(OCCCOC)cc2)c1 ZINC000285446330 455847538 /nfs/dbraw/zinc/84/75/38/455847538.db2.gz GBSNHBSTEVZTIB-UHFFFAOYSA-N 0 3 345.439 3.496 20 10 EGCDHN CCOc1ccc([O-])c(C[NH2+]Cc2ccc(OCCCOC)cc2)c1 ZINC000285446330 455847543 /nfs/dbraw/zinc/84/75/43/455847543.db2.gz GBSNHBSTEVZTIB-UHFFFAOYSA-N 0 3 345.439 3.496 20 10 EGCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COCc1ccccc1Cl ZINC000269602811 455850208 /nfs/dbraw/zinc/85/02/08/455850208.db2.gz AUBSFFATKVQVCL-MRXNPFEDSA-N 0 3 335.831 3.055 20 10 EGCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)COCc1ccccc1Cl ZINC000269602811 455850214 /nfs/dbraw/zinc/85/02/14/455850214.db2.gz AUBSFFATKVQVCL-MRXNPFEDSA-N 0 3 335.831 3.055 20 10 EGCDHN [O-]c1cccc2c1[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)CC2 ZINC000295844732 455861869 /nfs/dbraw/zinc/86/18/69/455861869.db2.gz FSHVCPBNTSWZSZ-LJQANCHMSA-N 0 3 338.451 3.002 20 10 EGCDHN COc1cc(O)c(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000296162379 455870533 /nfs/dbraw/zinc/87/05/33/455870533.db2.gz WPJCONNJELAAFQ-NSHDSACASA-N 0 3 332.356 3.168 20 10 EGCDHN CCN(C)c1ccc([C@@H](C)NCC2(S(C)(=O)=O)CCCC2)cc1 ZINC000285861657 455930263 /nfs/dbraw/zinc/93/02/63/455930263.db2.gz ZSIDOHXKLKCBDG-OAHLLOKOSA-N 0 3 338.517 3.151 20 10 EGCDHN Cc1cccc(C[NH2+]CCc2ccc(OCC(F)(F)F)nc2)c1[O-] ZINC000187630287 455932466 /nfs/dbraw/zinc/93/24/66/455932466.db2.gz QPOZLHYFAHJJOT-UHFFFAOYSA-N 0 3 340.345 3.369 20 10 EGCDHN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccccc1-n1ccnn1 ZINC000286017679 455961640 /nfs/dbraw/zinc/96/16/40/455961640.db2.gz JNOSIDIPUQTIIL-AWEZNQCLSA-N 0 3 339.418 3.323 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+]CC2CCN(CC(F)(F)F)CC2)c1 ZINC000188525085 456078475 /nfs/dbraw/zinc/07/84/75/456078475.db2.gz USUDADQOWAODRQ-LBPRGKRZSA-N 0 3 346.393 3.326 20 10 EGCDHN COc1cc(O)c(CN(C)Cc2ccccc2N(C)C)cc1OC ZINC000288619954 456100490 /nfs/dbraw/zinc/10/04/90/456100490.db2.gz OHPNCZHFVFYUPE-UHFFFAOYSA-N 0 3 330.428 3.107 20 10 EGCDHN CCOCc1cc(CN[C@@H](CO)Cc2ccc(F)cc2)ccc1OC ZINC000271244585 456189382 /nfs/dbraw/zinc/18/93/82/456189382.db2.gz VINCPNWGUCEQOI-LJQANCHMSA-N 0 3 347.430 3.064 20 10 EGCDHN CCOc1cccc(CN2CCN(C(C)=O)C3(CCCCC3)C2)c1O ZINC000271246989 456191598 /nfs/dbraw/zinc/19/15/98/456191598.db2.gz HKYUGPFGDXQSPS-UHFFFAOYSA-N 0 3 346.471 3.158 20 10 EGCDHN Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(C)c(C)c3[O-])CC2)n[nH]1 ZINC000275845238 456331431 /nfs/dbraw/zinc/33/14/31/456331431.db2.gz HNIWDBCTZBFACX-OAHLLOKOSA-N 0 3 328.460 3.360 20 10 EGCDHN COc1ccc([O-])c(C[NH2+]C[C@H]2CCN(c3ccccc3F)C2)c1 ZINC000291076983 456520311 /nfs/dbraw/zinc/52/03/11/456520311.db2.gz TYPIVKAZTQWSKV-CQSZACIVSA-N 0 3 330.403 3.156 20 10 EGCDHN COCC[C@H]1COCCN1Cc1cc(-c2ccccc2)ccc1O ZINC000291359728 456618602 /nfs/dbraw/zinc/61/86/02/456618602.db2.gz YDGMSKONKVSQPY-IBGZPJMESA-N 0 3 327.424 3.297 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CCO1 ZINC000378428587 457395681 /nfs/dbraw/zinc/39/56/81/457395681.db2.gz JPYSPPGYXNSPDT-KBRIMQKVSA-N 0 3 338.879 3.167 20 10 EGCDHN C[C@H]([NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@@H]1CCOC1 ZINC000366298877 457805227 /nfs/dbraw/zinc/80/52/27/457805227.db2.gz KTGQJETXSJXBEF-JJRVBVJISA-N 0 3 338.879 3.025 20 10 EGCDHN C[C@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)C[C@]2(CCCOC2)O1 ZINC000369100816 458081867 /nfs/dbraw/zinc/08/18/67/458081867.db2.gz QDWJJXLYXGFCFJ-YWZLYKJASA-N 0 3 327.424 3.315 20 10 EGCDHN C[C@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@]2(CCCOC2)O1 ZINC000369100816 458081872 /nfs/dbraw/zinc/08/18/72/458081872.db2.gz QDWJJXLYXGFCFJ-YWZLYKJASA-N 0 3 327.424 3.315 20 10 EGCDHN Cc1c2ccccc2n(C)c1CNC(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000458751878 458159423 /nfs/dbraw/zinc/15/94/23/458159423.db2.gz UTUFCWMFHIYRJY-MRXNPFEDSA-N 0 3 342.487 3.111 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3nccn3C)C2)c1[O-] ZINC000373225244 458435645 /nfs/dbraw/zinc/43/56/45/458435645.db2.gz DLCDVDNCEJQFAX-LBPRGKRZSA-N 0 3 335.835 3.167 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H](c3nccn3C)C2)c1[O-] ZINC000373225244 458435648 /nfs/dbraw/zinc/43/56/48/458435648.db2.gz DLCDVDNCEJQFAX-LBPRGKRZSA-N 0 3 335.835 3.167 20 10 EGCDHN CCn1nncc1C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000527919297 459772645 /nfs/dbraw/zinc/77/26/45/459772645.db2.gz GYZMSNUOKNOSKI-IBGZPJMESA-N 0 3 336.439 3.467 20 10 EGCDHN C[C@@H](N[C@H]1Cc2ccccc2NC1=O)c1cc2c(cc1O)CCCC2 ZINC000527999413 459791450 /nfs/dbraw/zinc/79/14/50/459791450.db2.gz KYRRIUASGMGPQV-YJYMSZOUSA-N 0 3 336.435 3.485 20 10 EGCDHN C[C@H]([C@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])N1CCOCC1 ZINC000729686825 574880073 /nfs/dbraw/zinc/88/00/73/574880073.db2.gz IUTWNTJNSQAWOG-DLBZAZTESA-N 0 3 340.467 3.258 20 10 EGCDHN CCN(CC)c1ccc(CN(C)C(=O)NC[C@H]2CCCN(C)C2)cc1 ZINC000731123377 575055961 /nfs/dbraw/zinc/05/59/61/575055961.db2.gz DNWVYGUQNLVGAL-GOSISDBHSA-N 0 3 346.519 3.016 20 10 EGCDHN O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1cc([O-])cs1 ZINC000731872371 575214008 /nfs/dbraw/zinc/21/40/08/575214008.db2.gz HHIUWLDUCYEAIZ-UHFFFAOYSA-N 0 3 336.482 3.157 20 10 EGCDHN CC[C@H](C)[C@H](O)CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000732820274 575290141 /nfs/dbraw/zinc/29/01/41/575290141.db2.gz GSVPKTLKVUUXNE-KBXCAEBGSA-N 0 3 335.448 3.082 20 10 EGCDHN CCN(CC)C(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1cc(C)ccc1[O-] ZINC000733322846 575327603 /nfs/dbraw/zinc/32/76/03/575327603.db2.gz UHTKEOIOWYLMIY-LJQANCHMSA-N 0 3 340.467 3.270 20 10 EGCDHN CCN(CC)C(=O)[C@@H](Cc1ccccc1)NCc1cc(C)ccc1O ZINC000733322846 575327604 /nfs/dbraw/zinc/32/76/04/575327604.db2.gz UHTKEOIOWYLMIY-LJQANCHMSA-N 0 3 340.467 3.270 20 10 EGCDHN CCOc1cccc(CN[C@H]2CCOc3c(OC)cccc32)c1O ZINC000733332376 575329050 /nfs/dbraw/zinc/32/90/50/575329050.db2.gz VEZFDEZSRDGRTR-HNNXBMFYSA-N 0 3 329.396 3.413 20 10 EGCDHN CC[C@H]1CCCCN1CCNC(=O)NCc1ccc(N(C)C)cc1C ZINC000734530110 575510271 /nfs/dbraw/zinc/51/02/71/575510271.db2.gz CQGZQDORCYKFLU-SFHVURJKSA-N 0 3 346.519 3.125 20 10 EGCDHN [O-]c1ccccc1C[NH2+][C@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000734843933 575559538 /nfs/dbraw/zinc/55/95/38/575559538.db2.gz SYLBDVIRCHMASA-ZBFHGGJFSA-N 0 3 325.330 3.016 20 10 EGCDHN Cc1cc(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000741725032 576714056 /nfs/dbraw/zinc/71/40/56/576714056.db2.gz QRSGUMWMPODZIN-GUYCJALGSA-N 0 3 343.446 3.446 20 10 EGCDHN CC[C@@H](C(=O)NCc1ccc(N(CC)CC)c(F)c1)N(CC)CC ZINC000742253039 576762785 /nfs/dbraw/zinc/76/27/85/576762785.db2.gz GNDMZRDHIHIYEK-KRWDZBQOSA-N 0 3 337.483 3.409 20 10 EGCDHN CN1CC=C(C[NH2+]Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000708135210 1298234958 /nfs/dbraw/zinc/23/49/58/1298234958.db2.gz XNIZMSCEQHLDEP-UHFFFAOYSA-N 0 3 345.668 3.160 20 10 EGCDHN Cc1cc(CN(CC(N)=O)C2CCCC2)ccc1N1CCCCC1 ZINC000827678522 1292355953 /nfs/dbraw/zinc/35/59/53/1292355953.db2.gz FKXBSRCNSITLGQ-UHFFFAOYSA-N 0 3 329.488 3.215 20 10 EGCDHN C[C@@H]1CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@@]1(C)CO ZINC000827699829 1292359155 /nfs/dbraw/zinc/35/91/55/1292359155.db2.gz MPVZPFWAJYZVBO-BEFAXECRSA-N 0 3 347.459 3.035 20 10 EGCDHN Cn1ccnc1N1CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000827892341 1292395839 /nfs/dbraw/zinc/39/58/39/1292395839.db2.gz WHOVTWRLXQIDSQ-UHFFFAOYSA-N 0 3 348.450 3.115 20 10 EGCDHN COC[C@](C)(CC(=O)OC)NCc1ccc(N2CCCCC2)c(C)c1 ZINC000828365016 1292458056 /nfs/dbraw/zinc/45/80/56/1292458056.db2.gz NIUGACGGAFPPAY-FQEVSTJZSA-N 0 3 348.487 3.043 20 10 EGCDHN Cc1cc(CN(C)C2(C(N)=O)CCCC2)ccc1N1CCCCC1 ZINC000828499359 1292468428 /nfs/dbraw/zinc/46/84/28/1292468428.db2.gz WMIQEFGZOBUMRA-UHFFFAOYSA-N 0 3 329.488 3.215 20 10 EGCDHN COC1CCN(c2ccc(CN3C[C@@H](C)OC4(CCC4)C3)cc2)CC1 ZINC000830740053 1292761464 /nfs/dbraw/zinc/76/14/64/1292761464.db2.gz NNCJHVLZZNLKNR-QGZVFWFLSA-N 0 3 344.499 3.445 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)Cc2cccc(F)c2)c2c1c(F)ccc2[O-] ZINC000834828085 1293154895 /nfs/dbraw/zinc/15/48/95/1293154895.db2.gz OTDVEJGPDYIDPV-DIOULYMOSA-N 0 3 333.378 3.412 20 10 EGCDHN CC[C@H](NCc1cccc(S(C)(=O)=O)c1)c1ccc(N(C)C)cc1 ZINC000834883349 1293163243 /nfs/dbraw/zinc/16/32/43/1293163243.db2.gz JMSUEVXFBBMOJP-IBGZPJMESA-N 0 3 346.496 3.397 20 10 EGCDHN CCN1C[C@H](N[C@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1=O ZINC000834891900 1293165558 /nfs/dbraw/zinc/16/55/58/1293165558.db2.gz TUCSTMQDIJRMES-GDBMZVCRSA-N 0 3 333.451 3.087 20 10 EGCDHN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1cncc(F)c1 ZINC000155339450 1294093100 /nfs/dbraw/zinc/09/31/00/1294093100.db2.gz CSZUZSCKQNXYJE-LSDHHAIUSA-N 0 3 329.419 3.469 20 10 EGCDHN C[C@@H](N[C@H](C)c1cncc(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000155339554 1294093477 /nfs/dbraw/zinc/09/34/77/1294093477.db2.gz CSZUZSCKQNXYJE-HUUCEWRRSA-N 0 3 329.419 3.469 20 10 EGCDHN COc1ccc(N2CCN(Cc3cccc(C)c3O)CC2)cc1F ZINC000180705985 1294908464 /nfs/dbraw/zinc/90/84/64/1294908464.db2.gz GNQYAOJICZVEES-UHFFFAOYSA-N 0 3 330.403 3.171 20 10 EGCDHN CCN(CC)C(=O)CCC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000180770678 1294913546 /nfs/dbraw/zinc/91/35/46/1294913546.db2.gz YVJBRQSDEQOYJQ-UHFFFAOYSA-N 0 3 336.451 3.392 20 10 EGCDHN Cc1ccc([C@@H](C)NCC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000182311577 1295034430 /nfs/dbraw/zinc/03/44/30/1295034430.db2.gz OPJNXPCDJWMLSG-QGZVFWFLSA-N 0 3 339.483 3.370 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCC(=O)N(C)[C@H]2CCCC[C@H]2C)c1 ZINC000182371717 1295040675 /nfs/dbraw/zinc/04/06/75/1295040675.db2.gz RVCLRWQKXHOTEK-KEYYUXOJSA-N 0 3 334.460 3.089 20 10 EGCDHN C[C@H]([NH2+]C[C@@H](NC(=O)OC(C)(C)C)C1CC1)c1cc(F)ccc1[O-] ZINC000186201057 1295311528 /nfs/dbraw/zinc/31/15/28/1295311528.db2.gz BTEQMSLWLILCDR-XHDPSFHLSA-N 0 3 338.423 3.485 20 10 EGCDHN COCCO[C@H]1CCCN(Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000193421497 1295865925 /nfs/dbraw/zinc/86/59/25/1295865925.db2.gz XHHAIXWMQSWCIN-INIZCTEOSA-N 0 3 337.460 3.023 20 10 EGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCS[C@H]4COCC[C@H]43)c2c1 ZINC000246740768 1296368668 /nfs/dbraw/zinc/36/86/68/1296368668.db2.gz GRPPYQMIYFILPU-MJGOQNOKSA-N 0 3 345.464 3.260 20 10 EGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCS[C@H]4COCC[C@H]43)c2c1 ZINC000246740768 1296368680 /nfs/dbraw/zinc/36/86/80/1296368680.db2.gz GRPPYQMIYFILPU-MJGOQNOKSA-N 0 3 345.464 3.260 20 10 EGCDHN CCCOc1ccc(CNCc2ccc(NC(C)=O)nc2)cc1C ZINC000873115331 1297277515 /nfs/dbraw/zinc/27/75/15/1297277515.db2.gz GJRPJMVZHZTZBC-UHFFFAOYSA-N 0 3 327.428 3.427 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)c([O-])c1 ZINC000385490024 1297582974 /nfs/dbraw/zinc/58/29/74/1297582974.db2.gz HXXHZUKXRHNJMZ-HKUYNNGSSA-N 0 3 340.467 3.252 20 10 EGCDHN Oc1cc2c(cc1CN[C@H]1CCCOc3ccc(F)cc31)OCO2 ZINC000725848925 1298374943 /nfs/dbraw/zinc/37/49/43/1298374943.db2.gz MGUHPBBGTMWSFR-AWEZNQCLSA-N 0 3 331.343 3.264 20 10 EGCDHN C[C@@H](NC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C)c1ccccc1O ZINC000875573254 1298393180 /nfs/dbraw/zinc/39/31/80/1298393180.db2.gz JNRVZBJWXMJKKW-VCBZYWHSSA-N 0 3 341.455 3.444 20 10 EGCDHN CCCN(C)CC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000746172892 1298547883 /nfs/dbraw/zinc/54/78/83/1298547883.db2.gz OBYKRWQLQJJESB-UHFFFAOYSA-N 0 3 343.471 3.216 20 10 EGCDHN CCc1ccc([C@H](CNC(=O)NCc2ccccc2O)N(C)C)cc1 ZINC000748463467 1299015237 /nfs/dbraw/zinc/01/52/37/1299015237.db2.gz RTOWGDBHYRLBME-SFHVURJKSA-N 0 3 341.455 3.057 20 10 EGCDHN C[C@@H](NCc1cccc(F)c1N)c1ccc(N2CCOCC2)cc1 ZINC000876987176 1299100201 /nfs/dbraw/zinc/10/02/01/1299100201.db2.gz RFNNNXGOPQAHET-CQSZACIVSA-N 0 3 329.419 3.095 20 10 EGCDHN Cc1ccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)c([O-])c1 ZINC000876987510 1299102512 /nfs/dbraw/zinc/10/25/12/1299102512.db2.gz YTZSTOVETLLMJR-MRXNPFEDSA-N 0 3 326.440 3.388 20 10 EGCDHN COc1ccccc1N1CC[C@H](C[NH2+]Cc2ccc(C)cc2[O-])C1 ZINC000876998196 1299108090 /nfs/dbraw/zinc/10/80/90/1299108090.db2.gz CZRQVLKIZWNICE-MRXNPFEDSA-N 0 3 326.440 3.325 20 10 EGCDHN Cc1cccc([O-])c1C[NH2+]C[C@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000877478488 1299329162 /nfs/dbraw/zinc/32/91/62/1299329162.db2.gz IWLUIOXAXZAHDK-CYBMUJFWSA-N 0 3 339.357 3.059 20 10 EGCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000877502270 1299351556 /nfs/dbraw/zinc/35/15/56/1299351556.db2.gz DHZNKDJRCXMDAO-LJQANCHMSA-N 0 3 334.460 3.437 20 10 EGCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000877502270 1299351559 /nfs/dbraw/zinc/35/15/59/1299351559.db2.gz DHZNKDJRCXMDAO-LJQANCHMSA-N 0 3 334.460 3.437 20 10 EGCDHN CO[C@@]1(CN(Cc2ccco2)Cc2ccc(N(C)C)cc2)CCOC1 ZINC000877523385 1299365490 /nfs/dbraw/zinc/36/54/90/1299365490.db2.gz YLAIPGZDZLIJFN-HXUWFJFHSA-N 0 3 344.455 3.153 20 10 EGCDHN CC[C@@H]1COC(C)(C)CN1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877611616 1299431780 /nfs/dbraw/zinc/43/17/80/1299431780.db2.gz VVDBIFVHUURYJY-QGZVFWFLSA-N 0 3 332.488 3.037 20 10 EGCDHN Cc1cccc(C(=O)NC2CC[NH+](Cc3c(C)cccc3[O-])CC2)c1 ZINC000877694428 1299486700 /nfs/dbraw/zinc/48/67/00/1299486700.db2.gz JLZMCBLYTYOAMW-UHFFFAOYSA-N 0 3 338.451 3.403 20 10 EGCDHN COc1ccc(N2CCN(CCCOCc3ccccc3)CC2)cc1 ZINC000753994284 1300060718 /nfs/dbraw/zinc/06/07/18/1300060718.db2.gz HCELFLOKYCTSGO-UHFFFAOYSA-N 0 3 340.467 3.424 20 10 EGCDHN C/C(=C\c1ccccc1)C[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000754863075 1300232622 /nfs/dbraw/zinc/23/26/22/1300232622.db2.gz PTLQWLWFKOHSAL-MOXPCZPISA-N 0 3 325.408 3.353 20 10 EGCDHN C/C(=C\c1ccccc1)C[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000754863075 1300232629 /nfs/dbraw/zinc/23/26/29/1300232629.db2.gz PTLQWLWFKOHSAL-MOXPCZPISA-N 0 3 325.408 3.353 20 10 EGCDHN C[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1ccc(Br)cc1[O-] ZINC000756616484 1300531608 /nfs/dbraw/zinc/53/16/08/1300531608.db2.gz ZOCXKOGUYJWBQZ-GVXVVHGQSA-N 0 3 327.266 3.288 20 10 EGCDHN COC(=O)c1ccc([O-])c([C@H](C)NCCC[NH+](C(C)C)C(C)C)c1 ZINC000756630985 1300536863 /nfs/dbraw/zinc/53/68/63/1300536863.db2.gz WTQVUUCMYIDZAS-HNNXBMFYSA-N 0 3 336.476 3.338 20 10 EGCDHN C[C@H]1C[C@@H]([NH2+]C2CN(C(=O)OC(C)(C)C)C2)c2c1c(F)ccc2[O-] ZINC000756648868 1300539946 /nfs/dbraw/zinc/53/99/46/1300539946.db2.gz LQWBPFURFKJPHN-GXFFZTMASA-N 0 3 336.407 3.289 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)c2c1c(F)ccc2[O-] ZINC000756770739 1300564361 /nfs/dbraw/zinc/56/43/61/1300564361.db2.gz MHMTYSCUBOUNNX-JDIZFGSQSA-N 0 3 345.414 3.154 20 10 EGCDHN CC(=O)N1CC[C@H](NCc2ccc(N(C)C)c(F)c2)c2ccccc21 ZINC000757001961 1300609345 /nfs/dbraw/zinc/60/93/45/1300609345.db2.gz UYTIFEGVZDQEJO-SFHVURJKSA-N 0 3 341.430 3.479 20 10 EGCDHN C[C@@H]([NH2+]CCC(=O)N1CCc2sccc2C1)c1ccccc1[O-] ZINC000879649289 1300649324 /nfs/dbraw/zinc/64/93/24/1300649324.db2.gz PNIRXWDUUMHKAR-CYBMUJFWSA-N 0 3 330.453 3.079 20 10 EGCDHN COc1ccc(OC)c(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000879650034 1300649579 /nfs/dbraw/zinc/64/95/79/1300649579.db2.gz YKTLYUWOVZZINL-OLZOCXBDSA-N 0 3 344.411 3.087 20 10 EGCDHN O=C1NCCc2ccc(CNCc3ccc(N4CCCCC4)cc3)cc21 ZINC000757944360 1300762119 /nfs/dbraw/zinc/76/21/19/1300762119.db2.gz USYIBXZBSGPVPR-UHFFFAOYSA-N 0 3 349.478 3.253 20 10 EGCDHN CCN(C)c1ccc(Cn2cc(CNC3CCCCC3)nn2)cc1 ZINC000881314991 1301523057 /nfs/dbraw/zinc/52/30/57/1301523057.db2.gz KHMGLCCLLYWCMJ-UHFFFAOYSA-N 0 3 327.476 3.205 20 10 EGCDHN COCCOc1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000764990027 1302181449 /nfs/dbraw/zinc/18/14/49/1302181449.db2.gz SWIHLVPIYOLWAE-OAHLLOKOSA-N 0 3 329.444 3.024 20 10 EGCDHN COc1ccc(N2CCN(CCN[C@@H](C)c3ccc(C)o3)CC2)cc1 ZINC000765399995 1302260950 /nfs/dbraw/zinc/26/09/50/1302260950.db2.gz CGTFCDPEXAAEAK-KRWDZBQOSA-N 0 3 343.471 3.069 20 10 EGCDHN CN1CCN(c2ccc(CNCc3ccsc3Cl)cc2)CC1 ZINC000883283452 1302359319 /nfs/dbraw/zinc/35/93/19/1302359319.db2.gz GFIPBCVGNUZQFN-UHFFFAOYSA-N 0 3 335.904 3.443 20 10 EGCDHN CC(C)C[N@H+](Cc1ccccc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768440015 1302900637 /nfs/dbraw/zinc/90/06/37/1302900637.db2.gz NDMWLJRNZIQHFQ-IBGZPJMESA-N 0 3 327.424 3.476 20 10 EGCDHN CC(C)C[N@@H+](Cc1ccccc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768440015 1302900643 /nfs/dbraw/zinc/90/06/43/1302900643.db2.gz NDMWLJRNZIQHFQ-IBGZPJMESA-N 0 3 327.424 3.476 20 10 EGCDHN COc1ccc(CN(C)Cc2cc(OC)c(OC)cc2O)cc1OC ZINC000768437623 1302902160 /nfs/dbraw/zinc/90/21/60/1302902160.db2.gz BIOOFNYAKFWFHF-UHFFFAOYSA-N 0 3 347.411 3.059 20 10 EGCDHN COc1cc(CN2CCN(CCc3ccccc3)CC2)c(O)cc1C ZINC000768441913 1302903859 /nfs/dbraw/zinc/90/38/59/1302903859.db2.gz LPXPLGJLXXWLSJ-UHFFFAOYSA-N 0 3 340.467 3.070 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCS[C@H](c3ccccc3)C1)[C@H](O)CO2 ZINC000768446334 1302907386 /nfs/dbraw/zinc/90/73/86/1302907386.db2.gz MWAMFXLVMUMSLO-MJGOQNOKSA-N 0 3 343.448 3.108 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CCS[C@H](c3ccccc3)C1)[C@H](O)CO2 ZINC000768446334 1302907395 /nfs/dbraw/zinc/90/73/95/1302907395.db2.gz MWAMFXLVMUMSLO-MJGOQNOKSA-N 0 3 343.448 3.108 20 10 EGCDHN CCCCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)C1(C)C ZINC000768464453 1302910858 /nfs/dbraw/zinc/91/08/58/1302910858.db2.gz RVIPWMDWDFWFQZ-QXAKKESOSA-N 0 3 349.471 3.234 20 10 EGCDHN CCCCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)C1(C)C ZINC000768464453 1302910865 /nfs/dbraw/zinc/91/08/65/1302910865.db2.gz RVIPWMDWDFWFQZ-QXAKKESOSA-N 0 3 349.471 3.234 20 10 EGCDHN CCCCCC(=O)NC1CC[NH+](Cc2ccc(OCC)cc2[O-])CC1 ZINC000769224641 1303075489 /nfs/dbraw/zinc/07/54/89/1303075489.db2.gz VOYRZLATYMOEJU-UHFFFAOYSA-N 0 3 348.487 3.452 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000769382922 1303102465 /nfs/dbraw/zinc/10/24/65/1303102465.db2.gz YUTGSZKAWOLPSQ-HZPDHXFCSA-N 0 3 330.394 3.420 20 10 EGCDHN CCOc1cccc(CN2C[C@@H](CC)N(C(C)=O)C[C@@H]2CC)c1O ZINC000769496121 1303126537 /nfs/dbraw/zinc/12/65/37/1303126537.db2.gz KKBVLKFBJXKKQT-DLBZAZTESA-N 0 3 334.460 3.012 20 10 EGCDHN C/C=C\C[C@H](CO)N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000769994677 1303203289 /nfs/dbraw/zinc/20/32/89/1303203289.db2.gz INAWORTUKPLLKY-VUBDOFJKSA-N 0 3 338.879 3.154 20 10 EGCDHN COCCc1nc(C)c([C@@H](C)NCc2ccc3c(c2)CCO3)s1 ZINC000771382060 1303396393 /nfs/dbraw/zinc/39/63/93/1303396393.db2.gz IKZVLZYEUMUGPG-GFCCVEGCSA-N 0 3 332.469 3.426 20 10 EGCDHN C[C@@H](N[C@@H](C)C(=O)NCc1cccs1)c1ccc(N(C)C)cc1 ZINC000774483231 1303816019 /nfs/dbraw/zinc/81/60/19/1303816019.db2.gz NGFAXWVVJYUAGO-KGLIPLIRSA-N 0 3 331.485 3.170 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2ccccc2Cl)c1 ZINC000775369308 1303948561 /nfs/dbraw/zinc/94/85/61/1303948561.db2.gz NHPFPAPIIXHBIQ-NSHDSACASA-N 0 3 334.803 3.344 20 10 EGCDHN Cc1ccccc1CNC(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775834276 1304046493 /nfs/dbraw/zinc/04/64/93/1304046493.db2.gz MTJQVEWEAASDLO-MRXNPFEDSA-N 0 3 325.456 3.028 20 10 EGCDHN Cc1ccc(CNC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)cc1F ZINC000775834400 1304047130 /nfs/dbraw/zinc/04/71/30/1304047130.db2.gz NNOWLRMDBCQVOO-HNNXBMFYSA-N 0 3 343.446 3.167 20 10 EGCDHN C[C@H](NCC(=O)N1c2ccccc2C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000775837035 1304047534 /nfs/dbraw/zinc/04/75/34/1304047534.db2.gz QPPDZADUUCUWHT-HOTGVXAUSA-N 0 3 337.467 3.381 20 10 EGCDHN C[C@H](NCC(=O)N(C)[C@H]1CCCC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000775835537 1304048146 /nfs/dbraw/zinc/04/81/46/1304048146.db2.gz UIRMOGBGKDITQA-GJYPPUQNSA-N 0 3 331.504 3.440 20 10 EGCDHN C[C@@H]1CN(C)[C@@H](C)CN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000775984360 1304074424 /nfs/dbraw/zinc/07/44/24/1304074424.db2.gz FQOLNTDDIULJFJ-JKSUJKDBSA-N 0 3 346.475 3.110 20 10 EGCDHN C[C@H](NC(=O)N(CCN(C)C)C1CCCC1)c1ccc(N(C)C)cc1 ZINC000776236928 1304118907 /nfs/dbraw/zinc/11/89/07/1304118907.db2.gz CXWSKHBMOPKTOP-INIZCTEOSA-N 0 3 346.519 3.329 20 10 EGCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776589855 1304176994 /nfs/dbraw/zinc/17/69/94/1304176994.db2.gz WJTSYHQXMOWOLC-SFHVURJKSA-N 0 3 330.384 3.246 20 10 EGCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776589855 1304176997 /nfs/dbraw/zinc/17/69/97/1304176997.db2.gz WJTSYHQXMOWOLC-SFHVURJKSA-N 0 3 330.384 3.246 20 10 EGCDHN CCOc1ccc(C[NH2+]C[C@@H]2COC3(CCCCCC3)O2)c([O-])c1 ZINC000776958291 1304223916 /nfs/dbraw/zinc/22/39/16/1304223916.db2.gz CHDSHGGJHGWELK-QGZVFWFLSA-N 0 3 335.444 3.346 20 10 EGCDHN CC(C)(C)OC(=O)NC[C@@H]1CCCCN1Cc1cc(F)ccc1O ZINC000779003848 1304516993 /nfs/dbraw/zinc/51/69/93/1304516993.db2.gz ZYFBZHUZMKFCHI-HNNXBMFYSA-N 0 3 338.423 3.411 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H](C2CC2)N(C)C)c1[O-] ZINC000779004225 1304517021 /nfs/dbraw/zinc/51/70/21/1304517021.db2.gz PBDMBMLVVIKLKY-XHDPSFHLSA-N 0 3 341.293 3.454 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC2(O)CCCC2)c1[O-] ZINC000779024474 1304519720 /nfs/dbraw/zinc/51/97/20/1304519720.db2.gz NFDMESBOEYTCTE-LLVKDONJSA-N 0 3 328.250 3.419 20 10 EGCDHN C/C(=C\c1ccco1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891245318 1304999718 /nfs/dbraw/zinc/99/97/18/1304999718.db2.gz COEFQAUJDHDMGI-OCKXMSAZSA-N 0 3 341.455 3.168 20 10 EGCDHN COc1cc(C)cc(CN2CCC[C@H](Oc3ncccc3F)C2)c1O ZINC000782841843 1305015940 /nfs/dbraw/zinc/01/59/40/1305015940.db2.gz HBQRIDAIZSVUTA-HNNXBMFYSA-N 0 3 346.402 3.287 20 10 EGCDHN Cc1ccnc(OC2CCN(Cc3ccc(N(C)C)cc3)CC2)c1 ZINC000783594046 1305113376 /nfs/dbraw/zinc/11/33/76/1305113376.db2.gz TUUGZWSZGJTESS-UHFFFAOYSA-N 0 3 325.456 3.499 20 10 EGCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000783626167 1305119307 /nfs/dbraw/zinc/11/93/07/1305119307.db2.gz JVUPJCHXWAGCOQ-YOEHRIQHSA-N 0 3 338.879 3.026 20 10 EGCDHN CN(C)c1nc(C(F)(F)F)ccc1CNCc1ccccc1O ZINC000892790525 1305554506 /nfs/dbraw/zinc/55/45/06/1305554506.db2.gz DPHMMSVUVJIGKK-UHFFFAOYSA-N 0 3 325.334 3.162 20 10 EGCDHN COc1ccc(CN[C@H]2CCOc3c(OC)cccc32)c(O)c1OC ZINC000892948814 1305622135 /nfs/dbraw/zinc/62/21/35/1305622135.db2.gz BMHSJWJXEJWXFL-AWEZNQCLSA-N 0 3 345.395 3.031 20 10 EGCDHN Cc1ccc([C@H](C)NCc2ccc(S(C)(=O)=O)s2)c(O)c1C ZINC000786960405 1305667619 /nfs/dbraw/zinc/66/76/19/1305667619.db2.gz ICNAIYVKKXQFKH-LBPRGKRZSA-N 0 3 339.482 3.325 20 10 EGCDHN CCOc1cccc(CN2CCC[C@H](Oc3ncccc3F)C2)c1O ZINC000787292247 1305727670 /nfs/dbraw/zinc/72/76/70/1305727670.db2.gz ZDSBMLBTGMMUIY-HNNXBMFYSA-N 0 3 346.402 3.368 20 10 EGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2(N(C)C)CCOCC2)c1[O-] ZINC000808695447 1317717660 /nfs/dbraw/zinc/71/76/60/1317717660.db2.gz IAEQNNFLXIHLRG-CYBMUJFWSA-N 0 3 326.868 3.115 20 10 EGCDHN CNC(=O)[C@H](CC(C)C)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000793030973 1309283313 /nfs/dbraw/zinc/28/33/13/1309283313.db2.gz FAQVWXKTOSTEJO-HNNXBMFYSA-N 0 3 345.409 3.022 20 10 EGCDHN Cn1cc2c(n1)CCC[C@@H]2NCc1ccc(N2CCSCC2)cc1 ZINC000794797655 1309597113 /nfs/dbraw/zinc/59/71/13/1309597113.db2.gz PFVUPNUXMWYKNH-SFHVURJKSA-N 0 3 342.512 3.141 20 10 EGCDHN CN(C)c1cc(F)c(CNC[C@]2(CO)C[C@@H]2c2ccccc2)cc1F ZINC000858165814 1328702086 /nfs/dbraw/zinc/70/20/86/1328702086.db2.gz OGTMNZWIGPMHRN-UZLBHIALSA-N 0 3 346.421 3.287 20 10 EGCDHN CC[C@H](COCC(F)(F)F)NCc1cc(F)c(N(C)C)cc1F ZINC000858170357 1328702475 /nfs/dbraw/zinc/70/24/75/1328702475.db2.gz JLGICRVEQGIYNY-LLVKDONJSA-N 0 3 340.336 3.478 20 10 EGCDHN COc1cc(Br)cc(C[NH2+]C[C@@H]2CCCSC2)c1[O-] ZINC000808429949 1317676699 /nfs/dbraw/zinc/67/66/99/1317676699.db2.gz KOACHNLSJYKAFH-JTQLQIEISA-N 0 3 346.290 3.396 20 10 EGCDHN CCN(CC)c1ccc(CN[C@H]2COc3ccccc3[C@@H]2O)cc1 ZINC000808454846 1317680643 /nfs/dbraw/zinc/68/06/43/1317680643.db2.gz UCOGDADMZLWCTD-ICSRJNTNSA-N 0 3 326.440 3.117 20 10 EGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2)c1[O-] ZINC000808675158 1317713922 /nfs/dbraw/zinc/71/39/22/1317713922.db2.gz YBSFBZVTAGHLAA-HIFRSBDPSA-N 0 3 335.831 3.445 20 10 EGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCOC[C@H]2CCOC2)c1[O-] ZINC000808697306 1317717831 /nfs/dbraw/zinc/71/78/31/1317717831.db2.gz BYMSCLNLJDTVAP-ZIAGYGMSSA-N 0 3 327.852 3.448 20 10 EGCDHN CC[C@H]([NH2+][C@@H]1CCC[C@H]2CN(C(C)=O)C[C@H]21)c1ccc(C)cc1[O-] ZINC000808722196 1317723244 /nfs/dbraw/zinc/72/32/44/1317723244.db2.gz AIFIGAWDZYEPBK-WZGPROSRSA-N 0 3 330.472 3.388 20 10 EGCDHN CCCC[N@H+](Cc1cc(C(=O)OC)n(C)c1)Cc1ccccc1[O-] ZINC000809662964 1317859254 /nfs/dbraw/zinc/85/92/54/1317859254.db2.gz HXAATLIMCQNXDK-UHFFFAOYSA-N 0 3 330.428 3.320 20 10 EGCDHN CCCC[N@@H+](Cc1cc(C(=O)OC)n(C)c1)Cc1ccccc1[O-] ZINC000809662964 1317859263 /nfs/dbraw/zinc/85/92/63/1317859263.db2.gz HXAATLIMCQNXDK-UHFFFAOYSA-N 0 3 330.428 3.320 20 10 EGCDHN C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cc(Br)ccc1[O-] ZINC000809702981 1317869380 /nfs/dbraw/zinc/86/93/80/1317869380.db2.gz BRJDHJAUPPMVHZ-DOMZBBRYSA-N 0 3 339.277 3.213 20 10 EGCDHN O=C(NC1CCCC1)OC[C@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000811510381 1318188504 /nfs/dbraw/zinc/18/85/04/1318188504.db2.gz DLXREXWRIAMIKZ-QGZVFWFLSA-N 0 3 332.444 3.416 20 10 EGCDHN O=C(NC1CCCC1)OC[C@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000811510381 1318188511 /nfs/dbraw/zinc/18/85/11/1318188511.db2.gz DLXREXWRIAMIKZ-QGZVFWFLSA-N 0 3 332.444 3.416 20 10 EGCDHN C[C@@H]([NH2+]C[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000813878580 1318650135 /nfs/dbraw/zinc/65/01/35/1318650135.db2.gz CFRVGODLQWEMKP-RDBSUJKOSA-N 0 3 338.423 3.390 20 10 EGCDHN Cc1cc(CN(C)Cc2ccc3c(c2)OCCO3)ccc1N(C)C ZINC000815014103 1318866042 /nfs/dbraw/zinc/86/60/42/1318866042.db2.gz WDZVACXNIFOKPR-UHFFFAOYSA-N 0 3 326.440 3.464 20 10 EGCDHN Cc1cc(CN2CCN(c3ccc(O)cc3)CC2)ccc1N(C)C ZINC000815010409 1318866744 /nfs/dbraw/zinc/86/67/44/1318866744.db2.gz VZIXAWKKAQAPPP-UHFFFAOYSA-N 0 3 325.456 3.089 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+][C@H](C)c2cc[nH]c(=O)c2)c1[O-] ZINC000816639588 1319198111 /nfs/dbraw/zinc/19/81/11/1319198111.db2.gz XPQGUEKNYKTJDV-SNVBAGLBSA-N 0 3 337.217 3.415 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+]C[C@@]2(O)CCCC2(C)C)c1[O-] ZINC000816641560 1319198303 /nfs/dbraw/zinc/19/83/03/1319198303.db2.gz WZKWYVXSTNFMLV-INIZCTEOSA-N 0 3 342.277 3.494 20 10 EGCDHN C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000817413859 1319353371 /nfs/dbraw/zinc/35/33/71/1319353371.db2.gz BMQPVAQTZDDNPO-QAPCUYQASA-N 0 3 327.424 3.316 20 10 EGCDHN C[C@@H]1CC[C@H](O)C[N@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000817413859 1319353383 /nfs/dbraw/zinc/35/33/83/1319353383.db2.gz BMQPVAQTZDDNPO-QAPCUYQASA-N 0 3 327.424 3.316 20 10 EGCDHN C[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)c1cc(Br)c(F)cc1[O-] ZINC000817972200 1319481289 /nfs/dbraw/zinc/48/12/89/1319481289.db2.gz VDHABPBGGRXHBW-KXUCPTDWSA-N 0 3 331.229 3.085 20 10 EGCDHN C[C@H](NCc1cccc(S(C)(=O)=O)c1)c1ccc(N(C)C)cc1 ZINC000824195307 1320236874 /nfs/dbraw/zinc/23/68/74/1320236874.db2.gz ARNSABRNSUIZBO-AWEZNQCLSA-N 0 3 332.469 3.007 20 10 EGCDHN CO[C@@H]([C@@H](C)[NH2+]Cc1cc(Br)cc(C)c1[O-])C1CC1 ZINC000825098280 1320309436 /nfs/dbraw/zinc/30/94/36/1320309436.db2.gz FUZNQZUYPHJTOJ-BMIGLBTASA-N 0 3 328.250 3.366 20 10 EGCDHN Cc1cc([O-])c(C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)cc1Cl ZINC000825265948 1320322766 /nfs/dbraw/zinc/32/27/66/1320322766.db2.gz GQISSBUFHWCUFR-MRXNPFEDSA-N 0 3 338.879 3.087 20 10 EGCDHN CCN(CC)c1ccc(CN(C)C(=O)c2ccc3c(c2)CNC3)cc1 ZINC000826019319 1320378731 /nfs/dbraw/zinc/37/87/31/1320378731.db2.gz DMXDAVWBHQKTHO-UHFFFAOYSA-N 0 3 337.467 3.408 20 10 EGCDHN COC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000827500432 1320456863 /nfs/dbraw/zinc/45/68/63/1320456863.db2.gz ANQUYVDKEFNWKP-CALCHBBNSA-N 0 3 341.407 3.012 20 10 EGCDHN C[C@@H](Cc1cccc(F)c1)[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000840166329 1321042369 /nfs/dbraw/zinc/04/23/69/1321042369.db2.gz IGGXEEZMPSIZEV-SGTLLEGYSA-N 0 3 331.387 3.020 20 10 EGCDHN C[C@@H](Cc1cccc(F)c1)[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000840166329 1321042371 /nfs/dbraw/zinc/04/23/71/1321042371.db2.gz IGGXEEZMPSIZEV-SGTLLEGYSA-N 0 3 331.387 3.020 20 10 EGCDHN COc1ccc([C@H](CO)C[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)cc1 ZINC000840808756 1321153524 /nfs/dbraw/zinc/15/35/24/1321153524.db2.gz LPLHMQLAYAKPMC-HACGYAERSA-N 0 3 345.414 3.454 20 10 EGCDHN CCOc1cc(C[NH2+]Cc2ccccc2[O-])ccc1OC(=O)CC ZINC000840888916 1321170963 /nfs/dbraw/zinc/17/09/63/1321170963.db2.gz FDFRGJUEPGNXLU-UHFFFAOYSA-N 0 3 329.396 3.396 20 10 EGCDHN Cc1cc(N(C)C)ccc1C[C@H](C)N[C@H](C)c1cc2n(n1)CCC2 ZINC000840892943 1321172079 /nfs/dbraw/zinc/17/20/79/1321172079.db2.gz FHRCZDBPBYAGLY-JKSUJKDBSA-N 0 3 326.488 3.486 20 10 EGCDHN Nc1ccc(CCNCc2cc3c(cc2Br)OCO3)cc1 ZINC000841035056 1321205091 /nfs/dbraw/zinc/20/50/91/1321205091.db2.gz DWQNGNJIMXEVKT-UHFFFAOYSA-N 0 3 349.228 3.092 20 10 EGCDHN CCN(Cc1ccccc1)c1ccc(CN(C)CCNC(C)=O)cc1 ZINC000843427138 1321517846 /nfs/dbraw/zinc/51/78/46/1321517846.db2.gz JAJOTMUOLDTHDP-UHFFFAOYSA-N 0 3 339.483 3.281 20 10 EGCDHN Cc1cc(Br)cc(C[NH+]2CCC([C@@H](C)CO)CC2)c1[O-] ZINC000846058687 1321764872 /nfs/dbraw/zinc/76/48/72/1321764872.db2.gz RPPKUZZLADELRU-LBPRGKRZSA-N 0 3 342.277 3.304 20 10 EGCDHN CCc1cccc(CNc2ccc(CN3CCN(C)CC3)cc2)c1O ZINC000848891944 1322031789 /nfs/dbraw/zinc/03/17/89/1322031789.db2.gz FZAZYEPQDIXCEL-UHFFFAOYSA-N 0 3 339.483 3.314 20 10 EGCDHN CCc1cccc(CN[C@@H](CN2CCCC2=O)c2ccccc2)c1O ZINC000848895524 1322035016 /nfs/dbraw/zinc/03/50/16/1322035016.db2.gz WBEIYVLMGROGFG-IBGZPJMESA-N 0 3 338.451 3.408 20 10 EGCDHN COc1cc(CN[C@H](CO)CC(F)(F)F)c(O)c(C(C)(C)C)c1 ZINC000850225410 1322210075 /nfs/dbraw/zinc/21/00/75/1322210075.db2.gz CVQRJRCDYIITSR-NSHDSACASA-N 0 3 335.366 3.101 20 10 EGCDHN COCc1csc(CNCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000850406733 1322240992 /nfs/dbraw/zinc/24/09/92/1322240992.db2.gz RNBYHTUFGZHZKT-UHFFFAOYSA-N 0 3 346.496 3.145 20 10 EGCDHN COc1cc(Br)cc(C[NH2+]CCCc2ccco2)c1[O-] ZINC000850407677 1322241077 /nfs/dbraw/zinc/24/10/77/1322241077.db2.gz NIAJDLJEOVRWNK-UHFFFAOYSA-N 0 3 340.217 3.479 20 10 EGCDHN COC(=O)Cc1ccccc1CNCc1ccc2c(c1)CCCO2 ZINC000922225249 1322482055 /nfs/dbraw/zinc/48/20/55/1322482055.db2.gz AQIQQBYQDPOGLO-UHFFFAOYSA-N 0 3 325.408 3.017 20 10 EGCDHN CCOc1cncc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000856767458 1325520971 /nfs/dbraw/zinc/52/09/71/1325520971.db2.gz PBAOVRKPCXMLRC-MRXNPFEDSA-N 0 3 341.455 3.168 20 10 EGCDHN CCC[N@H+](C)C[C@@H]1CCN(Cc2c([O-])cccc2Br)C1 ZINC000862249539 1329471696 /nfs/dbraw/zinc/47/16/96/1329471696.db2.gz SULSDGXMIQWYIY-ZDUSSCGKSA-N 0 3 341.293 3.318 20 10 EGCDHN CCC[N@@H+](C)C[C@@H]1CCN(Cc2c([O-])cccc2Br)C1 ZINC000862249539 1329471697 /nfs/dbraw/zinc/47/16/97/1329471697.db2.gz SULSDGXMIQWYIY-ZDUSSCGKSA-N 0 3 341.293 3.318 20 10 EGCDHN C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1c([O-])cccc1Br ZINC000862365292 1329478522 /nfs/dbraw/zinc/47/85/22/1329478522.db2.gz ONDVBZIHRQARQU-CHWSQXEVSA-N 0 3 339.277 3.213 20 10 EGCDHN CCOc1ccc(C[N@H+](CC)CCNC(=O)OC(C)(C)C)c([O-])c1 ZINC000862468276 1329489173 /nfs/dbraw/zinc/48/91/73/1329489173.db2.gz DRFDSFNFLWSMJS-UHFFFAOYSA-N 0 3 338.448 3.138 20 10 EGCDHN CCOc1ccc(C[N@@H+](CC)CCNC(=O)OC(C)(C)C)c([O-])c1 ZINC000862468276 1329489174 /nfs/dbraw/zinc/48/91/74/1329489174.db2.gz DRFDSFNFLWSMJS-UHFFFAOYSA-N 0 3 338.448 3.138 20 10 EGCDHN COCCOc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC001203315224 1370078956 /nfs/dbraw/zinc/07/89/56/1370078956.db2.gz WBVYAUMXHNRXTC-UHFFFAOYSA-N 0 3 326.440 3.034 20 10 EGCDHN CC(C)(C)OC(=O)N1CCC[C@@H]2C[N@H+](Cc3ccccc3[O-])C[C@@H]21 ZINC001203550518 1370165738 /nfs/dbraw/zinc/16/57/38/1370165738.db2.gz WUPAGOKJCSJVMP-ZBFHGGJFSA-N 0 3 332.444 3.224 20 10 EGCDHN CC(C)(C)OC(=O)N1CCC[C@@H]2C[N@@H+](Cc3ccccc3[O-])C[C@@H]21 ZINC001203550518 1370165740 /nfs/dbraw/zinc/16/57/40/1370165740.db2.gz WUPAGOKJCSJVMP-ZBFHGGJFSA-N 0 3 332.444 3.224 20 10 EGCDHN Cc1ccc(N2C[C@@]3(CC[N@H+](Cc4ccccc4[O-])C3)CC2=O)cc1 ZINC001203555830 1370168498 /nfs/dbraw/zinc/16/84/98/1370168498.db2.gz HBCMTAAPRNGWRI-NRFANRHFSA-N 0 3 336.435 3.330 20 10 EGCDHN Cc1ccc(N2C[C@@]3(CC[N@@H+](Cc4ccccc4[O-])C3)CC2=O)cc1 ZINC001203555830 1370168500 /nfs/dbraw/zinc/16/85/00/1370168500.db2.gz HBCMTAAPRNGWRI-NRFANRHFSA-N 0 3 336.435 3.330 20 10 EGCDHN COc1cccc(CN(C)Cc2cc(OC)c(OC)c(OC)c2)c1O ZINC001203596567 1370182864 /nfs/dbraw/zinc/18/28/64/1370182864.db2.gz IYKTVMVTFHJIDQ-UHFFFAOYSA-N 0 3 347.411 3.059 20 10 EGCDHN COc1ccc(C[N@@H+]2CC[C@@H](Oc3ccccc3OC)C2)c([O-])c1 ZINC001203630801 1370194192 /nfs/dbraw/zinc/19/41/92/1370194192.db2.gz WDMNJNYAGKOFOQ-MRXNPFEDSA-N 0 3 329.396 3.063 20 10 EGCDHN COc1ccc(C[N@H+]2CC[C@@H](Oc3ccccc3OC)C2)c([O-])c1 ZINC001203630801 1370194194 /nfs/dbraw/zinc/19/41/94/1370194194.db2.gz WDMNJNYAGKOFOQ-MRXNPFEDSA-N 0 3 329.396 3.063 20 10 EGCDHN CN(C)c1ccc(CN2CC[C@]3(CCN3C(=O)OC(C)(C)C)C2)cc1 ZINC001203931871 1370319451 /nfs/dbraw/zinc/31/94/51/1370319451.db2.gz XPXPATDAOBPYAG-FQEVSTJZSA-N 0 3 345.487 3.338 20 10 EGCDHN CN(C)c1ccc(CN2CCN(c3cnccn3)CC2)c2ccccc21 ZINC001204232874 1370416891 /nfs/dbraw/zinc/41/68/91/1370416891.db2.gz LBBGNRAUDMCVBO-UHFFFAOYSA-N 0 3 347.466 3.018 20 10 EGCDHN CC(C)(C)OC(=O)N1CCC[C@]12CC[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204276998 1370429225 /nfs/dbraw/zinc/42/92/25/1370429225.db2.gz VHFIUASJAWIVPP-LJQANCHMSA-N 0 3 348.443 3.073 20 10 EGCDHN CC(C)(C)OC(=O)N1CCC[C@]12CC[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204276998 1370429226 /nfs/dbraw/zinc/42/92/26/1370429226.db2.gz VHFIUASJAWIVPP-LJQANCHMSA-N 0 3 348.443 3.073 20 10 EGCDHN CC(=O)OC[C@H]1CCC2(C1)CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001204277764 1370429691 /nfs/dbraw/zinc/42/96/91/1370429691.db2.gz LFEWQPGCVMWLNI-HNNXBMFYSA-N 0 3 333.428 3.043 20 10 EGCDHN Cc1cncnc1O[C@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001204329048 1370445134 /nfs/dbraw/zinc/44/51/34/1370445134.db2.gz DDIKSIXVOQXUEP-IBGZPJMESA-N 0 3 338.455 3.039 20 10 EGCDHN C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@@H]1CN(C)C(=O)O1 ZINC001117707040 1371066392 /nfs/dbraw/zinc/06/63/92/1371066392.db2.gz VOFWNNDAJDXSRC-YJBOKZPZSA-N 0 3 340.423 3.406 20 10 EGCDHN C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@@H]1CN(C)C(=O)O1 ZINC001117707040 1371066396 /nfs/dbraw/zinc/06/63/96/1371066396.db2.gz VOFWNNDAJDXSRC-YJBOKZPZSA-N 0 3 340.423 3.406 20 10 EGCDHN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C[C@@H]1CN(C)C(=O)O1 ZINC001117707040 1371066400 /nfs/dbraw/zinc/06/64/00/1371066400.db2.gz VOFWNNDAJDXSRC-YJBOKZPZSA-N 0 3 340.423 3.406 20 10 EGCDHN COCCOc1ccc(N2CCN(CCc3cccs3)CC2)cc1 ZINC001209225537 1372043044 /nfs/dbraw/zinc/04/30/44/1372043044.db2.gz GMWUMMGUVZHBOP-UHFFFAOYSA-N 0 3 346.496 3.138 20 10 EGCDHN O=C(c1ccc(C[N@@H+]2CCc3cccc([O-])c3C2)cc1)N1CCCC1 ZINC001209677701 1372167878 /nfs/dbraw/zinc/16/78/78/1372167878.db2.gz MUPJSYOIXUEKCP-UHFFFAOYSA-N 0 3 336.435 3.187 20 10 EGCDHN O=C(c1ccc(C[N@H+]2CCc3cccc([O-])c3C2)cc1)N1CCCC1 ZINC001209677701 1372167879 /nfs/dbraw/zinc/16/78/79/1372167879.db2.gz MUPJSYOIXUEKCP-UHFFFAOYSA-N 0 3 336.435 3.187 20 10 EGCDHN C[C@@H]1C[NH2+]CCC[C@H]1Oc1c(O)c([O-])ccc1C(=O)c1ccccc1 ZINC001217987217 1373527322 /nfs/dbraw/zinc/52/73/22/1373527322.db2.gz MHRFPOZLCCIRCW-CXAGYDPISA-N 0 3 341.407 3.096 20 10 EGCDHN [O-]c1ccc(Br)cc1CN1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385035 1373831724 /nfs/dbraw/zinc/83/17/24/1373831724.db2.gz DFUPAGWJPBNPAB-INIZCTEOSA-N 0 3 339.277 3.263 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH+]1CC(C2COC2)C1 ZINC001231466210 1376247449 /nfs/dbraw/zinc/24/74/49/1376247449.db2.gz OXEDKCIDWYYFEJ-UHFFFAOYSA-N 0 3 325.408 3.049 20 10 EGCDHN Cc1cccc(CN2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)c1O ZINC001231593081 1376273641 /nfs/dbraw/zinc/27/36/41/1376273641.db2.gz MUIPAVDFGNNFPN-JKSUJKDBSA-N 0 3 328.437 3.142 20 10 EGCDHN COc1cc(Cl)cc(CN2CCC3(C[C@H](F)CO3)CC2)c1O ZINC001233290091 1376605460 /nfs/dbraw/zinc/60/54/60/1376605460.db2.gz ICCJDGYSVXMEJC-ZDUSSCGKSA-N 0 3 329.799 3.147 20 10 EGCDHN COc1cc(Cl)cc(C[NH+]2CCC3(C[C@H](F)CO3)CC2)c1[O-] ZINC001233290091 1376605464 /nfs/dbraw/zinc/60/54/64/1376605464.db2.gz ICCJDGYSVXMEJC-ZDUSSCGKSA-N 0 3 329.799 3.147 20 10 EGCDHN COC(=O)c1cccc(CN(C)Cc2cc(Cl)cc(OC)c2O)c1 ZINC001233290464 1376606746 /nfs/dbraw/zinc/60/67/46/1376606746.db2.gz DHPIAAFEBVOSSS-UHFFFAOYSA-N 0 3 349.814 3.473 20 10 EGCDHN C[C@@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC[C@@]1(C)O ZINC001233726406 1376703134 /nfs/dbraw/zinc/70/31/34/1376703134.db2.gz CXYLUCNKUQDFPT-IAQYHMDHSA-N 0 3 333.350 3.274 20 10 EGCDHN C[C@@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC[C@@]1(C)O ZINC001233726406 1376703137 /nfs/dbraw/zinc/70/31/37/1376703137.db2.gz CXYLUCNKUQDFPT-IAQYHMDHSA-N 0 3 333.350 3.274 20 10 EGCDHN Cc1cc([O-])c(CN(C2CC2)[C@H]2CCC[NH2+]C2)cc1Br ZINC001236240379 1376944458 /nfs/dbraw/zinc/94/44/58/1376944458.db2.gz LCBHALHXLLBOBR-AWEZNQCLSA-N 0 3 339.277 3.180 20 10 EGCDHN C[C@]1(O)CCCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237054030 1376970691 /nfs/dbraw/zinc/97/06/91/1376970691.db2.gz SXYSLLFCBANKIS-HNNXBMFYSA-N 0 3 333.350 3.070 20 10 EGCDHN C[C@]1(O)CCCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237054030 1376970696 /nfs/dbraw/zinc/97/06/96/1376970696.db2.gz SXYSLLFCBANKIS-HNNXBMFYSA-N 0 3 333.350 3.070 20 10 EGCDHN CC(C)c1ccc(C[N@@H+]2CCC[C@H](Oc3cnccn3)C2)c([O-])c1 ZINC001237051876 1376970915 /nfs/dbraw/zinc/97/09/15/1376970915.db2.gz RNMOSJPLNPRFDR-KRWDZBQOSA-N 0 3 327.428 3.349 20 10 EGCDHN CC(C)c1ccc(C[N@H+]2CCC[C@H](Oc3cnccn3)C2)c([O-])c1 ZINC001237051876 1376970935 /nfs/dbraw/zinc/97/09/35/1376970935.db2.gz RNMOSJPLNPRFDR-KRWDZBQOSA-N 0 3 327.428 3.349 20 10 EGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[NH+]1CCC2(CCOC2)CC1 ZINC001237052646 1376971593 /nfs/dbraw/zinc/97/15/93/1376971593.db2.gz BCIOAWSNVFEEND-UHFFFAOYSA-N 0 3 345.361 3.336 20 10 EGCDHN CC(C)c1ccc(C[N@@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)c([O-])c1 ZINC001237053043 1376972462 /nfs/dbraw/zinc/97/24/62/1376972462.db2.gz FXJVTOOLAFHZDQ-NLWGTHIKSA-N 0 3 331.456 3.141 20 10 EGCDHN CC(C)c1ccc(C[N@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)c([O-])c1 ZINC001237053043 1376972466 /nfs/dbraw/zinc/97/24/66/1376972466.db2.gz FXJVTOOLAFHZDQ-NLWGTHIKSA-N 0 3 331.456 3.141 20 10 EGCDHN COc1ccc(N2CCN(Cc3ccccc3-n3cccn3)CC2)cc1 ZINC001137093767 1377477261 /nfs/dbraw/zinc/47/72/61/1377477261.db2.gz RVEMTJAPIRQDDO-UHFFFAOYSA-N 0 3 348.450 3.203 20 10 EGCDHN Cc1c(CN2CCC[C@H](NC(=O)NC(C)C)C2)c2ccccc2n1C ZINC001138259303 1377694701 /nfs/dbraw/zinc/69/47/01/1377694701.db2.gz FAPOUYSYERDHHE-INIZCTEOSA-N 0 3 342.487 3.159 20 10 EGCDHN CCc1nnc(C2CCN(Cc3ccc4c(c3)CCCN4C)CC2)o1 ZINC001138356151 1377708864 /nfs/dbraw/zinc/70/88/64/1377708864.db2.gz IUNLRGZQBCXDNE-UHFFFAOYSA-N 0 3 340.471 3.394 20 10 EGCDHN O=C(OCc1ccccc1)[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140056317 1377996812 /nfs/dbraw/zinc/99/68/12/1377996812.db2.gz QSVOLQFSALBBFC-INIZCTEOSA-N 0 3 343.398 3.487 20 10 EGCDHN O=C(OCc1ccccc1)[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140056317 1377996813 /nfs/dbraw/zinc/99/68/13/1377996813.db2.gz QSVOLQFSALBBFC-INIZCTEOSA-N 0 3 343.398 3.487 20 10 EGCDHN [O-]c1cccc(Cl)c1CN1CCC([NH+]2CCC(F)CC2)CC1 ZINC001140341530 1378049161 /nfs/dbraw/zinc/04/91/61/1378049161.db2.gz UFASEXALTFXZOX-UHFFFAOYSA-N 0 3 326.843 3.444 20 10 EGCDHN CC[C@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001273284715 1378094502 /nfs/dbraw/zinc/09/45/02/1378094502.db2.gz KNTWJKWIROJQMF-XJKSGUPXSA-N 0 3 334.435 3.048 20 10 EGCDHN CN(C)c1ccc(CN2CCC[C@H](C(=O)N3CCCC3)C2)c(Cl)c1 ZINC001140924837 1378181952 /nfs/dbraw/zinc/18/19/52/1378181952.db2.gz UGXQTSLBHAWOCM-INIZCTEOSA-N 0 3 349.906 3.240 20 10 EGCDHN Cc1ccc(CN2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)c(O)c1 ZINC001140949371 1378188288 /nfs/dbraw/zinc/18/82/88/1378188288.db2.gz ACESFUYHYVURPU-JKSUJKDBSA-N 0 3 328.437 3.142 20 10 EGCDHN Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCN3Cc3nccs3)C2)c([O-])c1 ZINC001140950565 1378189821 /nfs/dbraw/zinc/18/98/21/1378189821.db2.gz YTFOCYHKJNCOOE-WBVHZDCISA-N 0 3 343.496 3.254 20 10 EGCDHN Cc1ccc(C[N@H+]2CC[C@H]3[C@H](CCN3Cc3nccs3)C2)c([O-])c1 ZINC001140950565 1378189824 /nfs/dbraw/zinc/18/98/24/1378189824.db2.gz YTFOCYHKJNCOOE-WBVHZDCISA-N 0 3 343.496 3.254 20 10 EGCDHN Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](C(N)=O)c2ccccc2)c([O-])c1 ZINC001140951098 1378189910 /nfs/dbraw/zinc/18/99/10/1378189910.db2.gz YUWLDQDGBFQBMX-UYAOXDASSA-N 0 3 338.451 3.324 20 10 EGCDHN Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H](C(N)=O)c2ccccc2)c([O-])c1 ZINC001140951098 1378189911 /nfs/dbraw/zinc/18/99/11/1378189911.db2.gz YUWLDQDGBFQBMX-UYAOXDASSA-N 0 3 338.451 3.324 20 10 EGCDHN Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C2)c([O-])c1 ZINC001140950652 1378190470 /nfs/dbraw/zinc/19/04/70/1378190470.db2.gz AOJIGUDINLMBCI-RDJZCZTQSA-N 0 3 346.471 3.389 20 10 EGCDHN Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C2)c([O-])c1 ZINC001140950652 1378190478 /nfs/dbraw/zinc/19/04/78/1378190478.db2.gz AOJIGUDINLMBCI-RDJZCZTQSA-N 0 3 346.471 3.389 20 10 EGCDHN CN1CCOc2cc(CN3CC[C@@H](OCc4ccccc4)C3)ccc21 ZINC001141143351 1378248798 /nfs/dbraw/zinc/24/87/98/1378248798.db2.gz VTSNSRLMQDIRSX-LJQANCHMSA-N 0 3 338.451 3.306 20 10 EGCDHN CN1CCOc2cc(CN3CCC[C@@H]3CC(=O)OC(C)(C)C)ccc21 ZINC001141144479 1378248833 /nfs/dbraw/zinc/24/88/33/1378248833.db2.gz FVUXBHGDLMMZIC-MRXNPFEDSA-N 0 3 346.471 3.211 20 10 EGCDHN CCN(Cc1ccc(N(C)C)cc1)Cc1cc(O)c(OC)c(OC)c1 ZINC001141175680 1378260360 /nfs/dbraw/zinc/26/03/60/1378260360.db2.gz OGPJOHATHKAKLN-UHFFFAOYSA-N 0 3 344.455 3.498 20 10 EGCDHN Oc1cc(O)c(CN(Cc2ccccc2)Cc2ccccn2)c(O)c1 ZINC001144500156 1378738416 /nfs/dbraw/zinc/73/84/16/1378738416.db2.gz QCZDIELABFBPAE-UHFFFAOYSA-N 0 3 336.391 3.401 20 10 EGCDHN [O-]c1c(CNc2cnc3c(c2)C[NH2+]CC3)cc(Cl)c2cccnc12 ZINC001168522147 1383929972 /nfs/dbraw/zinc/92/99/72/1383929972.db2.gz ADHMZPXVEYWREN-UHFFFAOYSA-N 0 3 340.814 3.247 20 10 EGCDHN COc1ccc(C[C@@H](C)[N@@H+]2CCc3cccc([O-])c3C2)c([N+](=O)[O-])c1 ZINC001170352673 1384298142 /nfs/dbraw/zinc/29/81/42/1384298142.db2.gz PVIHTDZWEOLABK-CYBMUJFWSA-N 0 3 342.395 3.298 20 10 EGCDHN COc1ccc(C[C@@H](C)[N@H+]2CCc3cccc([O-])c3C2)c([N+](=O)[O-])c1 ZINC001170352673 1384298143 /nfs/dbraw/zinc/29/81/43/1384298143.db2.gz PVIHTDZWEOLABK-CYBMUJFWSA-N 0 3 342.395 3.298 20 10 EGCDHN Cn1cc(N2CC[C@H]([NH2+]Cc3cc(-c4ccccc4)ccc3[O-])C2)cn1 ZINC001319950998 1386412609 /nfs/dbraw/zinc/41/26/09/1386412609.db2.gz HAPNOJMOFPCHPZ-IBGZPJMESA-N 0 3 348.450 3.161 20 10 EGCDHN COc1ccc(CN[C@H]2CCCc3cnn(C(C)C)c32)c(O)c1OC ZINC001333751899 1390392265 /nfs/dbraw/zinc/39/22/65/1390392265.db2.gz AZBRJEUVERQMJJ-HNNXBMFYSA-N 0 3 345.443 3.354 20 10 EGCDHN Nc1ccc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC001335286410 1390666687 /nfs/dbraw/zinc/66/66/87/1390666687.db2.gz YSLBTIINEULESO-UHFFFAOYSA-N 0 3 327.384 3.220 20 10 EGCDHN C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000295125127 455840382 /nfs/dbraw/zinc/84/03/82/455840382.db2.gz NWWUMPIQOZJVGJ-GFCCVEGCSA-N 0 3 326.412 3.314 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)CC[S@@](C)=O)c1[O-] ZINC000275372088 456274401 /nfs/dbraw/zinc/27/44/01/456274401.db2.gz VVXWCJYGBWMGSP-RMDKCXRXSA-N 0 3 348.306 3.271 20 10 EGCDHN C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccccc1[O-] ZINC000183430822 455291794 /nfs/dbraw/zinc/29/17/94/455291794.db2.gz RERNRSGDWFRSRG-AWEZNQCLSA-N 0 3 330.403 3.219 20 10 EGCDHN CCS(=O)(=O)C[C@H](C)N[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000089636319 454170410 /nfs/dbraw/zinc/17/04/10/454170410.db2.gz PBINBYSMVIWKIE-JKSUJKDBSA-N 0 3 338.517 3.151 20 10 EGCDHN CCN1CCN(c2ccc(CNCc3occc3C)cc2F)CC1 ZINC000266234763 455426318 /nfs/dbraw/zinc/42/63/18/455426318.db2.gz VSBSUIHUVSSPHZ-UHFFFAOYSA-N 0 3 331.435 3.159 20 10 EGCDHN CCOc1cccc(CNc2ccc(OCCN(C)C)cc2)c1O ZINC000119679072 454212927 /nfs/dbraw/zinc/21/29/27/454212927.db2.gz HCKZJLQNSSXFRN-UHFFFAOYSA-N 0 3 330.428 3.343 20 10 EGCDHN CC1CCN(C(=O)C2CCN(Cc3ccc(N(C)C)cc3)CC2)CC1 ZINC000092144438 454527460 /nfs/dbraw/zinc/52/74/60/454527460.db2.gz UOHCUXDXRIFADC-UHFFFAOYSA-N 0 3 343.515 3.223 20 10 EGCDHN CCC[N@H+](C)C[C@@H]1CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000093741879 454731781 /nfs/dbraw/zinc/73/17/81/454731781.db2.gz VSBOJWIHKRYESM-ZDUSSCGKSA-N 0 3 341.293 3.318 20 10 EGCDHN CCC[N@@H+](C)C[C@@H]1CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000093741879 454731784 /nfs/dbraw/zinc/73/17/84/454731784.db2.gz VSBOJWIHKRYESM-ZDUSSCGKSA-N 0 3 341.293 3.318 20 10 EGCDHN Oc1cc2c(cc1CN1CCC([C@@H](O)c3ccccc3)CC1)OCO2 ZINC000126197642 454876920 /nfs/dbraw/zinc/87/69/20/454876920.db2.gz DAZXCXMVWWBBHP-FQEVSTJZSA-N 0 3 341.407 3.067 20 10 EGCDHN C[C@H](NCc1cccc(O)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000154458337 454899252 /nfs/dbraw/zinc/89/92/52/454899252.db2.gz VGHCLTPMCNLADS-AWEZNQCLSA-N 0 3 330.403 3.219 20 10 EGCDHN CCCC[C@H](COC)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000151537227 454998090 /nfs/dbraw/zinc/99/80/90/454998090.db2.gz DWGYMNJYKZRNEF-MRXNPFEDSA-N 0 3 338.467 3.082 20 10 EGCDHN O=C(c1cccc(Cl)c1)N1CCCN(Cc2ccccc2O)CC1 ZINC000179563007 455058538 /nfs/dbraw/zinc/05/85/38/455058538.db2.gz NFTAFWYXFFJSIB-UHFFFAOYSA-N 0 3 344.842 3.394 20 10 EGCDHN Cc1cccc(CN2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c1O ZINC000179928634 455100409 /nfs/dbraw/zinc/10/04/09/455100409.db2.gz HUSHIHZMFQTPOE-QGZVFWFLSA-N 0 3 343.402 3.236 20 10 EGCDHN Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c1[O-] ZINC000179928634 455100412 /nfs/dbraw/zinc/10/04/12/455100412.db2.gz HUSHIHZMFQTPOE-QGZVFWFLSA-N 0 3 343.402 3.236 20 10 EGCDHN Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c1[O-] ZINC000179928634 455100417 /nfs/dbraw/zinc/10/04/17/455100417.db2.gz HUSHIHZMFQTPOE-QGZVFWFLSA-N 0 3 343.402 3.236 20 10 EGCDHN C[C@@H]([NH2+]C[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccccc1[O-] ZINC000183381354 455285001 /nfs/dbraw/zinc/28/50/01/455285001.db2.gz RXKPZWCIQGAPGP-BEFAXECRSA-N 0 3 344.430 3.255 20 10 EGCDHN C[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1ccccc1[O-] ZINC000183386842 455285831 /nfs/dbraw/zinc/28/58/31/455285831.db2.gz ZMLJOFFNHUGVMZ-INIZCTEOSA-N 0 3 326.440 3.075 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2CN2CCOCC2)c([O-])c1 ZINC000184894376 455468573 /nfs/dbraw/zinc/46/85/73/455468573.db2.gz CJJBPEILFHVKPY-QGZVFWFLSA-N 0 3 340.467 3.384 20 10 EGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCCS(=O)(=O)Cc2ccccc2)c1 ZINC000185086692 455498829 /nfs/dbraw/zinc/49/88/29/455498829.db2.gz ZLMFLCNLHNJIIT-INIZCTEOSA-N 0 3 347.480 3.356 20 10 EGCDHN CC[C@@H]([NH2+]C[C@H](O)c1cc(OC)cc(OC)c1)c1ccccc1[O-] ZINC000185211675 455522777 /nfs/dbraw/zinc/52/27/77/455522777.db2.gz HNAIUMRBCCNOKR-MJGOQNOKSA-N 0 3 331.412 3.184 20 10 EGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(F)c(F)c2)c1 ZINC000185374842 455550749 /nfs/dbraw/zinc/55/07/49/455550749.db2.gz YSKZPKNLUJXJRN-CHWSQXEVSA-N 0 3 337.366 3.069 20 10 EGCDHN CCc1cc(N2CCC([NH2+][C@H](C)c3cc(F)ccc3[O-])CC2)ncn1 ZINC000185643203 455588596 /nfs/dbraw/zinc/58/85/96/455588596.db2.gz AMJDZPFAXMFCBM-CYBMUJFWSA-N 0 3 344.434 3.203 20 10 EGCDHN Cc1cc(Br)cc(CN2CCC[C@@H]([NH+](C)C)CC2)c1[O-] ZINC000277551918 455596122 /nfs/dbraw/zinc/59/61/22/455596122.db2.gz RBKBQHOMQLGSFV-OAHLLOKOSA-N 0 3 341.293 3.379 20 10 EGCDHN CCc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3cc(F)ccc3[O-])C2)ncn1 ZINC000186023861 455677959 /nfs/dbraw/zinc/67/79/59/455677959.db2.gz WEYPUTSZBIZLQP-XJKSGUPXSA-N 0 3 344.434 3.203 20 10 EGCDHN COc1ccc([C@H](CN(C)C)[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000284430459 455684552 /nfs/dbraw/zinc/68/45/52/455684552.db2.gz RWYPSAQFUDIXOE-ACJLOTCBSA-N 0 3 332.419 3.493 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)c([O-])c1 ZINC000186127452 455699598 /nfs/dbraw/zinc/69/95/98/455699598.db2.gz BSMDCAHPHTUXNA-SNRMKQJTSA-N 0 3 332.488 3.119 20 10 EGCDHN Cc1ncsc1/C=C/C(=O)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000186172312 455709487 /nfs/dbraw/zinc/70/94/87/455709487.db2.gz OSXJEYIZHHFOQK-ROJDOSBLSA-N 0 3 339.464 3.476 20 10 EGCDHN CCS(=O)(=O)c1ccc(CN[C@H](C)c2cc(OC)ccc2O)cc1 ZINC000186372899 455754490 /nfs/dbraw/zinc/75/44/90/455754490.db2.gz WDYWHXKHYMGNCP-CYBMUJFWSA-N 0 3 349.452 3.045 20 10 EGCDHN CN(C)c1ccc(CNCc2cccc(N3CCOCC3)c2)cc1F ZINC000292999463 455770468 /nfs/dbraw/zinc/77/04/68/455770468.db2.gz OTMKVXKOBHEWNY-UHFFFAOYSA-N 0 3 343.446 3.018 20 10 EGCDHN COc1ccc([O-])c(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)c1 ZINC000271859301 455788772 /nfs/dbraw/zinc/78/87/72/455788772.db2.gz YGUSJJCAZQVARE-HXUWFJFHSA-N 0 3 327.424 3.346 20 10 EGCDHN C[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2[O-])CCN1C(=O)OC(C)(C)C ZINC000278240603 455794635 /nfs/dbraw/zinc/79/46/35/455794635.db2.gz LKVWFZJEURIKEE-SWLSCSKDSA-N 0 3 338.423 3.409 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CCC[C@H](O)CC1 ZINC000293980030 455802319 /nfs/dbraw/zinc/80/23/19/455802319.db2.gz KUYNUQCMROYQSF-SFHVURJKSA-N 0 3 327.424 3.318 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC[C@H](O)CC1 ZINC000293980030 455802320 /nfs/dbraw/zinc/80/23/20/455802320.db2.gz KUYNUQCMROYQSF-SFHVURJKSA-N 0 3 327.424 3.318 20 10 EGCDHN CNC(=O)C(C)(C)C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000294687156 455823535 /nfs/dbraw/zinc/82/35/35/455823535.db2.gz ILJLBYRJUFHVTD-GOSISDBHSA-N 0 3 340.467 3.428 20 10 EGCDHN CCOc1cccc(C[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)c1[O-] ZINC000278863414 455851215 /nfs/dbraw/zinc/85/12/15/455851215.db2.gz YBJASKOTSHSLML-OAHLLOKOSA-N 0 3 339.794 3.407 20 10 EGCDHN COc1ccc([O-])c(C[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)c1 ZINC000279086306 455857666 /nfs/dbraw/zinc/85/76/66/455857666.db2.gz SPBBVIKTVQRKMK-MRXNPFEDSA-N 0 3 325.767 3.017 20 10 EGCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)CC2 ZINC000295957482 455864820 /nfs/dbraw/zinc/86/48/20/455864820.db2.gz LXLLFOUXHVRPDQ-HOTGVXAUSA-N 0 3 344.480 3.104 20 10 EGCDHN CC[C@H]([NH2+]C[C@H](C(C)C)N1CCN(C)CC1)c1ccc(C)cc1[O-] ZINC000279925990 455878202 /nfs/dbraw/zinc/87/82/02/455878202.db2.gz AKBRBWJVNIGBGE-RBUKOAKNSA-N 0 3 333.520 3.013 20 10 EGCDHN CCO[C@@H](C[NH2+]Cc1cc(OC)c(OC)cc1[O-])c1ccccc1 ZINC000195188597 455930517 /nfs/dbraw/zinc/93/05/17/455930517.db2.gz ZEXXLNDIMDSUPP-IBGZPJMESA-N 0 3 331.412 3.277 20 10 EGCDHN [O-]c1cccc2c1[C@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)CC2 ZINC000296435975 455937996 /nfs/dbraw/zinc/93/79/96/455937996.db2.gz MIDNKVCHWCHYBJ-CQSZACIVSA-N 0 3 328.378 3.243 20 10 EGCDHN COC(=O)[C@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C[C@H]1C ZINC000188109890 456000029 /nfs/dbraw/zinc/00/00/29/456000029.db2.gz QUFVJTWCZZMSOM-APWZRJJASA-N 0 3 330.472 3.308 20 10 EGCDHN Cc1cc(C(=O)N[C@H](C)C2=CCN(C)CC2)c(C)n1-c1ccccc1 ZINC000272796875 456072194 /nfs/dbraw/zinc/07/21/94/456072194.db2.gz ULMGMLWNVSNBGH-MRXNPFEDSA-N 0 3 337.467 3.474 20 10 EGCDHN C[C@H](NCC(=O)NCC(F)F)c1ccc(N2CCCCCC2)cc1 ZINC000280919488 456081172 /nfs/dbraw/zinc/08/11/72/456081172.db2.gz QXPVSDMNAIBIBA-AWEZNQCLSA-N 0 3 339.430 3.099 20 10 EGCDHN COc1cccc(CNCc2cc3c(cc2SC)OCCO3)c1O ZINC000289404778 456124797 /nfs/dbraw/zinc/12/47/97/456124797.db2.gz GZDUFARPWZMZTN-UHFFFAOYSA-N 0 3 347.436 3.184 20 10 EGCDHN COc1ccc(CC[C@@H](C)[NH2+]Cc2cccc(OC)c2[O-])cc1O ZINC000289543859 456130002 /nfs/dbraw/zinc/13/00/02/456130002.db2.gz XAMYYFXBMDUVOL-CYBMUJFWSA-N 0 3 331.412 3.226 20 10 EGCDHN COC[C@@]1(C[NH2+][C@H](C)c2cc(C)ccc2[O-])OCCc2ccccc21 ZINC000289609905 456132711 /nfs/dbraw/zinc/13/27/11/456132711.db2.gz CZWZYWBUOBFISF-IIBYNOLFSA-N 0 3 341.451 3.466 20 10 EGCDHN COc1cccc(C[N@H+](C)CCc2nc(-c3ccccc3)no2)c1[O-] ZINC000289888733 456170002 /nfs/dbraw/zinc/17/00/02/456170002.db2.gz WISFVPREKMZRIW-UHFFFAOYSA-N 0 3 339.395 3.125 20 10 EGCDHN COc1cccc(C[N@@H+](C)CCc2nc(-c3ccccc3)no2)c1[O-] ZINC000289888733 456170008 /nfs/dbraw/zinc/17/00/08/456170008.db2.gz WISFVPREKMZRIW-UHFFFAOYSA-N 0 3 339.395 3.125 20 10 EGCDHN CC[C@@H](C)NC(=O)CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000263657252 456183458 /nfs/dbraw/zinc/18/34/58/456183458.db2.gz GKTJWWWLXZLLTA-OAHLLOKOSA-N 0 3 326.440 3.454 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)c([O-])c1C ZINC000273476568 456233325 /nfs/dbraw/zinc/23/33/25/456233325.db2.gz KWARFAPDXSJBKH-KFKAGJAMSA-N 0 3 332.488 3.037 20 10 EGCDHN COc1ccc2c(c1)OC[C@@H]([NH2+][C@@H](C)c1cc(OC)ccc1[O-])C2 ZINC000273477748 456233680 /nfs/dbraw/zinc/23/36/80/456233680.db2.gz LCRXLNRGDXXNBJ-JSGCOSHPSA-N 0 3 329.396 3.064 20 10 EGCDHN CCOCc1cc(CN[C@@H]2C[C@@H](OCC)[C@]23CCCO3)ccc1OC ZINC000273535538 456237918 /nfs/dbraw/zinc/23/79/18/456237918.db2.gz ALENFDVUMVKLOE-AQNXPRMDSA-N 0 3 349.471 3.048 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCc2ccn(-c3ccccc3)n2)c1 ZINC000273620685 456240801 /nfs/dbraw/zinc/24/08/01/456240801.db2.gz YZGNVZOLSZGDCF-HNNXBMFYSA-N 0 3 337.423 3.480 20 10 EGCDHN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@]1(C)CCCCN1 ZINC000237219732 456248735 /nfs/dbraw/zinc/24/87/35/456248735.db2.gz ICBUOSWYHKKXOJ-FQEVSTJZSA-N 0 3 329.488 3.168 20 10 EGCDHN C[C@H](NCC1([S@@](C)=O)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000282150495 456427319 /nfs/dbraw/zinc/42/73/19/456427319.db2.gz CPVUNTSVOBQRFP-LFVRLGFBSA-N 0 3 338.492 3.378 20 10 EGCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NCC(F)(F)F ZINC000282415134 456505069 /nfs/dbraw/zinc/50/50/69/456505069.db2.gz IUJKAXFTIYOLOE-LBPRGKRZSA-N 0 3 332.366 3.061 20 10 EGCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NCC(F)(F)F ZINC000282415134 456505077 /nfs/dbraw/zinc/50/50/77/456505077.db2.gz IUJKAXFTIYOLOE-LBPRGKRZSA-N 0 3 332.366 3.061 20 10 EGCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1OC ZINC000362636175 457018529 /nfs/dbraw/zinc/01/85/29/457018529.db2.gz DKWDYMPYTQQHIT-GJZGRUSLSA-N 0 3 335.444 3.048 20 10 EGCDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1OC ZINC000362636175 457018536 /nfs/dbraw/zinc/01/85/36/457018536.db2.gz DKWDYMPYTQQHIT-GJZGRUSLSA-N 0 3 335.444 3.048 20 10 EGCDHN C[C@@H]([NH2+][C@@H]1CCc2cn[nH]c2C1)c1ccc(Br)cc1[O-] ZINC000370393062 457637866 /nfs/dbraw/zinc/63/78/66/457637866.db2.gz AAWPDKZAIQGIFP-BXKDBHETSA-N 0 3 336.233 3.086 20 10 EGCDHN COc1cccc(CNCc2c[nH]nc2-c2ccc(F)cc2)c1O ZINC000370892281 457734322 /nfs/dbraw/zinc/73/43/22/457734322.db2.gz OLXJMIFXFRLTMT-UHFFFAOYSA-N 0 3 327.359 3.220 20 10 EGCDHN COc1cc([O-])c(C[NH+]2CCC(Cc3cccnc3)CC2)cc1OC ZINC000371464108 457944412 /nfs/dbraw/zinc/94/44/12/457944412.db2.gz OSJPCTNETOLQFP-UHFFFAOYSA-N 0 3 342.439 3.259 20 10 EGCDHN COc1cccc(C[NH2+][C@@H]2CCN([C@H](C)c3ccccc3)C2)c1[O-] ZINC000369037426 458072533 /nfs/dbraw/zinc/07/25/33/458072533.db2.gz XEWKVMGCJNVBBZ-CRAIPNDOSA-N 0 3 326.440 3.326 20 10 EGCDHN COC(=O)C[C@@H]1CCCCN1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000726587682 574562733 /nfs/dbraw/zinc/56/27/33/574562733.db2.gz AFNCGECTSIISSG-HNNXBMFYSA-N 0 3 335.444 3.313 20 10 EGCDHN CN(C)c1ccc(CNC(=O)CN2CCC3(CCCCC3)CC2)cc1 ZINC000726603198 574563403 /nfs/dbraw/zinc/56/34/03/574563403.db2.gz OGMHBFQNXVTTAT-UHFFFAOYSA-N 0 3 343.515 3.415 20 10 EGCDHN C[C@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccc1 ZINC000736348688 575941159 /nfs/dbraw/zinc/94/11/59/575941159.db2.gz UJRWXPNWAJQCGG-LPHOPBHVSA-N 0 3 337.467 3.239 20 10 EGCDHN O=[N+]([O-])c1cc(CNCCOC2CCC2)ccc1N1CCCCC1 ZINC000742385791 576777597 /nfs/dbraw/zinc/77/75/97/576777597.db2.gz VAGQLSZUZHVYLE-UHFFFAOYSA-N 0 3 333.432 3.244 20 10 EGCDHN CC[N@H+](CCN1CCCCC1)Cc1cc(Br)ccc1[O-] ZINC000743870870 576818080 /nfs/dbraw/zinc/81/80/80/576818080.db2.gz FHAQTJQELMAHMO-UHFFFAOYSA-N 0 3 341.293 3.463 20 10 EGCDHN CC[N@@H+](CCN1CCCCC1)Cc1cc(Br)ccc1[O-] ZINC000743870870 576818081 /nfs/dbraw/zinc/81/80/81/576818081.db2.gz FHAQTJQELMAHMO-UHFFFAOYSA-N 0 3 341.293 3.463 20 10 EGCDHN CC[C@H]([NH2+]C[C@@H](O)COc1cccc(F)c1)c1ccc(C)cc1[O-] ZINC000794805314 1309598077 /nfs/dbraw/zinc/59/80/77/1309598077.db2.gz WWNICRSGMBCEPO-QAPCUYQASA-N 0 3 333.403 3.320 20 10 EGCDHN CC[C@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1ccc(C)cc1[O-] ZINC000794804531 1309598616 /nfs/dbraw/zinc/59/86/16/1309598616.db2.gz UQURUAGNSRYDTK-QAPCUYQASA-N 0 3 333.403 3.320 20 10 EGCDHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccccc1N(C)C ZINC000075611529 1292402213 /nfs/dbraw/zinc/40/22/13/1292402213.db2.gz AWXZDTDTPVEJMF-UHFFFAOYSA-N 0 3 339.483 3.221 20 10 EGCDHN CC(C)N1CCN(c2cccc(NC(=O)c3cccc(N)c3)c2)CC1 ZINC000831490856 1292871150 /nfs/dbraw/zinc/87/11/50/1292871150.db2.gz RHOQRSJNXBYCGG-UHFFFAOYSA-N 0 3 338.455 3.052 20 10 EGCDHN CCOCC[N@H+](CC)Cc1cc(Br)cc(OC)c1[O-] ZINC000092537629 1292875220 /nfs/dbraw/zinc/87/52/20/1292875220.db2.gz UIUKKMVHXCFZAV-UHFFFAOYSA-N 0 3 332.238 3.022 20 10 EGCDHN CCOCC[N@@H+](CC)Cc1cc(Br)cc(OC)c1[O-] ZINC000092537629 1292875226 /nfs/dbraw/zinc/87/52/26/1292875226.db2.gz UIUKKMVHXCFZAV-UHFFFAOYSA-N 0 3 332.238 3.022 20 10 EGCDHN CC[C@@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ccc(C)cc1 ZINC000102684583 1292981324 /nfs/dbraw/zinc/98/13/24/1292981324.db2.gz LWUOZZCPUYDVQK-HXUWFJFHSA-N 0 3 339.483 3.418 20 10 EGCDHN C[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)C(=O)N1c2ccccc2C[C@@H]1C ZINC000834903037 1293170096 /nfs/dbraw/zinc/17/00/96/1293170096.db2.gz HKHMGMHPYMJKFE-GRDNDAEWSA-N 0 3 336.435 3.335 20 10 EGCDHN Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000834912610 1293174939 /nfs/dbraw/zinc/17/49/39/1293174939.db2.gz SQKMMZUWOUUDKE-IFUGULHKSA-N 0 3 343.402 3.400 20 10 EGCDHN COc1cc(C)ccc1CNCc1ccc(N2CCOCC2)cc1 ZINC000151024614 1293903304 /nfs/dbraw/zinc/90/33/04/1293903304.db2.gz QFYIQUDZRUXIEC-UHFFFAOYSA-N 0 3 326.440 3.130 20 10 EGCDHN CCOc1cccc(CN2CCN(C)C[C@@H]2c2ccccc2)c1O ZINC000155216561 1294089641 /nfs/dbraw/zinc/08/96/41/1294089641.db2.gz WXACJVDAFBJHBY-GOSISDBHSA-N 0 3 326.440 3.280 20 10 EGCDHN Cc1c([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cnn1C ZINC000177958807 1294705435 /nfs/dbraw/zinc/70/54/35/1294705435.db2.gz HFWWRAMNHBGJPS-KBPBESRZSA-N 0 3 346.450 3.116 20 10 EGCDHN [NH3+]CCN(Cc1ccccc1)Cc1cc(Br)ccc1[O-] ZINC000220352953 1296125136 /nfs/dbraw/zinc/12/51/36/1296125136.db2.gz HFUMSZNZFHYJPH-UHFFFAOYSA-N 0 3 335.245 3.116 20 10 EGCDHN O=C(OCc1ccccc1)N1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000309941001 1297081523 /nfs/dbraw/zinc/08/15/23/1297081523.db2.gz GWTWEXDHQMHXFN-UHFFFAOYSA-N 0 3 340.423 3.283 20 10 EGCDHN CCCOc1ccc(CNCc2ccc(CC(N)=O)cc2)cc1C ZINC000873127739 1297284084 /nfs/dbraw/zinc/28/40/84/1297284084.db2.gz UVYYYLVRNBSMOZ-UHFFFAOYSA-N 0 3 326.440 3.101 20 10 EGCDHN [O-]c1c(F)cc(Br)cc1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000715778759 1298286128 /nfs/dbraw/zinc/28/61/28/1298286128.db2.gz MIOGRPFBDKOCIU-CHWSQXEVSA-N 0 3 343.240 3.010 20 10 EGCDHN [O-]c1c(F)cc(Br)cc1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000715778759 1298286132 /nfs/dbraw/zinc/28/61/32/1298286132.db2.gz MIOGRPFBDKOCIU-CHWSQXEVSA-N 0 3 343.240 3.010 20 10 EGCDHN CN(C)c1ccc(CNC(=O)CN(C)CCC2CCCCC2)cc1 ZINC000725810930 1298367984 /nfs/dbraw/zinc/36/79/84/1298367984.db2.gz BRPKNSXJJLZRFB-UHFFFAOYSA-N 0 3 331.504 3.271 20 10 EGCDHN COCCN(C)CCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000725847025 1298373613 /nfs/dbraw/zinc/37/36/13/1298373613.db2.gz AYJNSUFOZAZGCL-UHFFFAOYSA-N 0 3 328.456 3.117 20 10 EGCDHN COc1cccc([O-])c1C[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000725847744 1298373866 /nfs/dbraw/zinc/37/38/66/1298373866.db2.gz HSVDRWMKIRTLEM-UHFFFAOYSA-N 0 3 349.814 3.158 20 10 EGCDHN Nc1c(F)cccc1CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000876531644 1298809451 /nfs/dbraw/zinc/80/94/51/1298809451.db2.gz LERGDKWSGZWNLC-MRXNPFEDSA-N 0 3 330.403 3.295 20 10 EGCDHN CCN(CC)c1ccc(CNCC(=O)Nc2cccc(F)c2)cc1 ZINC000747853051 1298872623 /nfs/dbraw/zinc/87/26/23/1298872623.db2.gz VWRMMCPKOJUYEL-UHFFFAOYSA-N 0 3 329.419 3.400 20 10 EGCDHN COc1ccc(N2CCCN(Cc3cccc(F)c3N)CC2)cc1 ZINC000876630856 1298883991 /nfs/dbraw/zinc/88/39/91/1298883991.db2.gz MOKLNBXRNHNNQN-UHFFFAOYSA-N 0 3 329.419 3.129 20 10 EGCDHN Cc1cccc(O)c1CN1CCN(c2ncnc3ccsc32)CC1 ZINC000876724978 1298940100 /nfs/dbraw/zinc/94/01/00/1298940100.db2.gz LDAUINFEBMSBNO-UHFFFAOYSA-N 0 3 340.452 3.028 20 10 EGCDHN Cc1nc(CN2CCC(C[NH2+]Cc3c(C)cccc3[O-])CC2)oc1C ZINC000877009035 1299111846 /nfs/dbraw/zinc/11/18/46/1299111846.db2.gz RTLLAAPVDZSTOZ-UHFFFAOYSA-N 0 3 343.471 3.307 20 10 EGCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000877574165 1299409300 /nfs/dbraw/zinc/40/93/00/1299409300.db2.gz BTCIHXKJEXPMFR-LSDHHAIUSA-N 0 3 334.460 3.484 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+](CCCO)C1CC1 ZINC000753547740 1299970425 /nfs/dbraw/zinc/97/04/25/1299970425.db2.gz URPCKPSZLGRIEL-UHFFFAOYSA-N 0 3 327.424 3.318 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+](CCCO)C1CC1 ZINC000753547740 1299970438 /nfs/dbraw/zinc/97/04/38/1299970438.db2.gz URPCKPSZLGRIEL-UHFFFAOYSA-N 0 3 327.424 3.318 20 10 EGCDHN CC[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@H]1O ZINC000753550138 1299970643 /nfs/dbraw/zinc/97/06/43/1299970643.db2.gz URQZWVAYHRRYAK-OXJNMPFZSA-N 0 3 327.424 3.174 20 10 EGCDHN CC[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@H]1O ZINC000753550138 1299970653 /nfs/dbraw/zinc/97/06/53/1299970653.db2.gz URQZWVAYHRRYAK-OXJNMPFZSA-N 0 3 327.424 3.174 20 10 EGCDHN COc1cc(N2CCN(CCCC3CC3)CC2)cc(OC)c1OC ZINC000878431083 1299997327 /nfs/dbraw/zinc/99/73/27/1299997327.db2.gz YHBWDZROYRTYHT-UHFFFAOYSA-N 0 3 334.460 3.025 20 10 EGCDHN COc1cc(CN2CCN(C3CCC3)CC2)c(O)c(C(C)(C)C)c1 ZINC000754726081 1300202896 /nfs/dbraw/zinc/20/28/96/1300202896.db2.gz LVIHMHWFKYJYLX-UHFFFAOYSA-N 0 3 332.488 3.368 20 10 EGCDHN Cc1nccn1CCC[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000756431752 1300489962 /nfs/dbraw/zinc/48/99/62/1300489962.db2.gz DKYOYJPUZHYUPR-NSHDSACASA-N 0 3 338.249 3.401 20 10 EGCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCN2CCCC[C@H]2C)c1 ZINC000756362588 1300475930 /nfs/dbraw/zinc/47/59/30/1300475930.db2.gz JZSFNGUQZZICPL-HUUCEWRRSA-N 0 3 334.460 3.094 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+]CCCN2C[C@@H](C)O[C@H](C)C2)c2c1c(F)ccc2[O-] ZINC000756369198 1300476642 /nfs/dbraw/zinc/47/66/42/1300476642.db2.gz RRUQABRVASCEOT-IXYNUQLISA-N 0 3 336.451 3.169 20 10 EGCDHN CNC(=O)c1ccc(C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)cc1 ZINC000756396974 1300482829 /nfs/dbraw/zinc/48/28/29/1300482829.db2.gz QXNCEIAXSFUYIM-ABAIWWIYSA-N 0 3 328.387 3.229 20 10 EGCDHN C[C@H]1C[C@@H]([NH2+]Cc2ccc(-n3ccnc3)nc2)c2c1c(F)ccc2[O-] ZINC000756393972 1300483385 /nfs/dbraw/zinc/48/33/85/1300483385.db2.gz UVZKMLBNWCXJCH-SWLSCSKDSA-N 0 3 338.386 3.450 20 10 EGCDHN CCC(CC)[C@H](C[NH2+][C@H](C)c1cc(F)ccc1[O-])N1CCOCC1 ZINC000756402753 1300484967 /nfs/dbraw/zinc/48/49/67/1300484967.db2.gz YJACWNVHAKPLCJ-KDOFPFPSSA-N 0 3 338.467 3.319 20 10 EGCDHN COc1ccc(O)c([C@H](C)N[C@H](CC(=O)N(C)C)c2ccccc2)c1 ZINC000756454290 1300495310 /nfs/dbraw/zinc/49/53/10/1300495310.db2.gz LERKIRFSJJWAIB-KBXCAEBGSA-N 0 3 342.439 3.271 20 10 EGCDHN C[C@H]([NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F)C(=O)NCc1ccccc1 ZINC000756482362 1300503487 /nfs/dbraw/zinc/50/34/87/1300503487.db2.gz JKRXOGRTXXJWKV-XEZPLFJOSA-N 0 3 342.414 3.374 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC3(CCOCC3)C2)c2c1c(F)ccc2[O-] ZINC000756766590 1300562016 /nfs/dbraw/zinc/56/20/16/1300562016.db2.gz XEAJUJRPGXHRNY-NFAWXSAZSA-N 0 3 335.419 3.397 20 10 EGCDHN C[C@@H](CNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-])c1ccccc1 ZINC000879648746 1300649536 /nfs/dbraw/zinc/64/95/36/1300649536.db2.gz CDHUZTYJTCEWIO-ARFHVFGLSA-N 0 3 326.440 3.351 20 10 EGCDHN C[C@@H]([NH2+]CC(=O)N1CCSc2ccccc21)c1ccccc1[O-] ZINC000879648729 1300650076 /nfs/dbraw/zinc/65/00/76/1300650076.db2.gz AWPLPPBMKZBFOM-CYBMUJFWSA-N 0 3 328.437 3.182 20 10 EGCDHN COc1ccc(C)cc1NC(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000765357949 1302252391 /nfs/dbraw/zinc/25/23/91/1302252391.db2.gz FBTFGKNMRRPRCN-OAHLLOKOSA-N 0 3 341.455 3.359 20 10 EGCDHN CCN1C[C@H](CN(C)Cc2cccc(OC)c2O)Oc2ccccc21 ZINC000768213202 1302855453 /nfs/dbraw/zinc/85/54/53/1302855453.db2.gz OGWJQVYJDDYBIS-INIZCTEOSA-N 0 3 342.439 3.120 20 10 EGCDHN COc1cccc([O-])c1C[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000768234466 1302860914 /nfs/dbraw/zinc/86/09/14/1302860914.db2.gz LOHLHJUEMACKFD-FQEVSTJZSA-N 0 3 327.424 3.346 20 10 EGCDHN CCC[N@H+](Cc1ccc(OC)cc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768439794 1302901064 /nfs/dbraw/zinc/90/10/64/1302901064.db2.gz JYLBFMCEQOYSLZ-IBGZPJMESA-N 0 3 343.423 3.239 20 10 EGCDHN CCC[N@@H+](Cc1ccc(OC)cc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768439794 1302901073 /nfs/dbraw/zinc/90/10/73/1302901073.db2.gz JYLBFMCEQOYSLZ-IBGZPJMESA-N 0 3 343.423 3.239 20 10 EGCDHN COc1ccccc1[C@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768452844 1302909258 /nfs/dbraw/zinc/90/92/58/1302909258.db2.gz TWEUKYMBDTVEGW-SJLPKXTDSA-N 0 3 341.407 3.164 20 10 EGCDHN COc1ccccc1[C@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768452844 1302909266 /nfs/dbraw/zinc/90/92/66/1302909266.db2.gz TWEUKYMBDTVEGW-SJLPKXTDSA-N 0 3 341.407 3.164 20 10 EGCDHN Cc1ccnc(N2CCN(Cc3cc4c(cc3O)CCCC4)CC2)c1 ZINC000768462181 1302911014 /nfs/dbraw/zinc/91/10/14/1302911014.db2.gz KXESSGPDGNLZSK-UHFFFAOYSA-N 0 3 337.467 3.297 20 10 EGCDHN COc1cc(CN2CCN(C(C)=O)C3(CCCCC3)C2)c(O)cc1C ZINC000768465953 1302912622 /nfs/dbraw/zinc/91/26/22/1302912622.db2.gz UJQQCFODUBRXMV-UHFFFAOYSA-N 0 3 346.471 3.076 20 10 EGCDHN CC(C)OC1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000768992077 1303027579 /nfs/dbraw/zinc/02/75/79/1303027579.db2.gz IKUXGHMLJNOPRZ-UHFFFAOYSA-N 0 3 336.451 3.052 20 10 EGCDHN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000769209260 1303070744 /nfs/dbraw/zinc/07/07/44/1303070744.db2.gz GRYOLVPEPDHTJU-NVXWUHKLSA-N 0 3 349.494 3.409 20 10 EGCDHN CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(OCC)cc2[O-])C1 ZINC000769210850 1303072036 /nfs/dbraw/zinc/07/20/36/1303072036.db2.gz UIUJRBPBNMEUSP-RDJZCZTQSA-N 0 3 348.487 3.308 20 10 EGCDHN CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(OCC)cc2[O-])C1 ZINC000769210850 1303072044 /nfs/dbraw/zinc/07/20/44/1303072044.db2.gz UIUJRBPBNMEUSP-RDJZCZTQSA-N 0 3 348.487 3.308 20 10 EGCDHN COc1cc(Br)cc(C[N@H+](C)CC(C)(C)OC)c1[O-] ZINC000770317616 1303248628 /nfs/dbraw/zinc/24/86/28/1303248628.db2.gz IJXNAUHAPCAEAK-UHFFFAOYSA-N 0 3 332.238 3.020 20 10 EGCDHN COc1cc(Br)cc(C[N@@H+](C)CC(C)(C)OC)c1[O-] ZINC000770317616 1303248636 /nfs/dbraw/zinc/24/86/36/1303248636.db2.gz IJXNAUHAPCAEAK-UHFFFAOYSA-N 0 3 332.238 3.020 20 10 EGCDHN C[C@@H]([NH2+]C[C@@H](CO)Cc1cc(F)c(F)c(F)c1)c1ccccc1[O-] ZINC000774396866 1303806507 /nfs/dbraw/zinc/80/65/07/1303806507.db2.gz NVURPGHYWCHYSS-YPMHNXCESA-N 0 3 339.357 3.311 20 10 EGCDHN C[C@@H](N[C@@H](C)C(=O)NC1CCC(C)CC1)c1ccc(N(C)C)cc1 ZINC000774486776 1303816091 /nfs/dbraw/zinc/81/60/91/1303816091.db2.gz XQUQDBAAOQACJB-NDUQDZPOSA-N 0 3 331.504 3.487 20 10 EGCDHN COc1ccc(O)c([C@H](C)N[C@H](C)C(=O)Nc2cccc(C)c2)c1 ZINC000775371418 1303948745 /nfs/dbraw/zinc/94/87/45/1303948745.db2.gz XSIUPLSRCPUTJB-UONOGXRCSA-N 0 3 328.412 3.387 20 10 EGCDHN COc1ccc(NC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775828561 1304045230 /nfs/dbraw/zinc/04/52/30/1304045230.db2.gz QSLHUZUWFBOSMV-AWEZNQCLSA-N 0 3 327.428 3.051 20 10 EGCDHN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)NCC1CCCCC1 ZINC000775831124 1304045573 /nfs/dbraw/zinc/04/55/73/1304045573.db2.gz PVQARQNKRXKPMC-JKSUJKDBSA-N 0 3 331.504 3.488 20 10 EGCDHN C[C@@H](N[C@@H](C)C(=O)N[C@H]1CCCC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000775830699 1304045643 /nfs/dbraw/zinc/04/56/43/1304045643.db2.gz MMSIDBRZCGHWKU-RCJHGTSTSA-N 0 3 331.504 3.487 20 10 EGCDHN C[C@@H](NCC(=O)NCc1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000775834082 1304046350 /nfs/dbraw/zinc/04/63/50/1304046350.db2.gz JXEQDTWHAAFDAL-CQSZACIVSA-N 0 3 345.874 3.373 20 10 EGCDHN C[C@H]([NH2+][C@H]1CCN2CCCC[C@H]12)c1cc(Br)ccc1[O-] ZINC000783647341 1305122158 /nfs/dbraw/zinc/12/21/58/1305122158.db2.gz JYFSGLPESBFFPR-TUKIKUTGSA-N 0 3 339.277 3.432 20 10 EGCDHN COc1cc([C@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)ccn1 ZINC000788564145 1305972056 /nfs/dbraw/zinc/97/20/56/1305972056.db2.gz PXBFYJYPDYRAIJ-CVEARBPZSA-N 0 3 341.455 3.339 20 10 EGCDHN COc1cc(C)cc(CNC2(c3ccc4c(c3)OCO4)CC2)c1O ZINC000894345384 1306352041 /nfs/dbraw/zinc/35/20/41/1306352041.db2.gz HDLDTZXZEQNGNG-UHFFFAOYSA-N 0 3 327.380 3.217 20 10 EGCDHN COCCOc1cc(C)ccc1CNCc1cc(C)cc(OC)c1O ZINC000894353132 1306356611 /nfs/dbraw/zinc/35/66/11/1306356611.db2.gz ZDWDMIZUGZGYHA-UHFFFAOYSA-N 0 3 345.439 3.333 20 10 EGCDHN COc1ccc(CN2CCC[C@H]2c2c(C)n[nH]c2C)c(O)c1OC ZINC000894497818 1308923222 /nfs/dbraw/zinc/92/32/22/1308923222.db2.gz AUNVPQYJYFDAAY-AWEZNQCLSA-N 0 3 331.416 3.086 20 10 EGCDHN C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000792979060 1309274996 /nfs/dbraw/zinc/27/49/96/1309274996.db2.gz FNSVZMSHEUJCAC-XYPHTWIQSA-N 0 3 338.879 3.025 20 10 EGCDHN CC1(CNCc2ccc3c(c2)CCN3Cc2ccccc2)OCCO1 ZINC000796344003 1309973554 /nfs/dbraw/zinc/97/35/54/1309973554.db2.gz FOXXCKCLQGRQBG-UHFFFAOYSA-N 0 3 338.451 3.102 20 10 EGCDHN COc1cc(Br)cc(C[NH2+][C@H]2CSC[C@@H]2C)c1[O-] ZINC000796482519 1310012091 /nfs/dbraw/zinc/01/20/91/1310012091.db2.gz NEOFDMQUELBVMY-KWQFWETISA-N 0 3 332.263 3.004 20 10 EGCDHN CCOc1ccccc1CN1CCN(Cc2ccccc2O)[C@H](C)C1 ZINC000799737747 1310609536 /nfs/dbraw/zinc/60/95/36/1310609536.db2.gz KSYIWGYYEYGAKC-QGZVFWFLSA-N 0 3 340.467 3.497 20 10 EGCDHN C[C@@H](N[C@@H]1CCN(c2ccc(F)cc2)C1=O)c1ccc(N(C)C)cc1 ZINC000839564450 1320938757 /nfs/dbraw/zinc/93/87/57/1320938757.db2.gz UQYUIUNPHIQLFG-AUUYWEPGSA-N 0 3 341.430 3.348 20 10 EGCDHN Fc1cc(CNCc2ccc3cc[nH]c3c2)ccc1N1CCOCC1 ZINC000858101080 1328682917 /nfs/dbraw/zinc/68/29/17/1328682917.db2.gz YIPPIUBATPHLAI-UHFFFAOYSA-N 0 3 339.414 3.433 20 10 EGCDHN CN(C)c1cc(F)c(CNC[C@@](C)(O)c2ccsc2)cc1F ZINC000858142908 1328694823 /nfs/dbraw/zinc/69/48/23/1328694823.db2.gz QSNPEQQGYJNJMB-MRXNPFEDSA-N 0 3 326.412 3.090 20 10 EGCDHN Cc1nccn1CCCC[NH2+]Cc1c([O-])cccc1Br ZINC000858145435 1328695391 /nfs/dbraw/zinc/69/53/91/1328695391.db2.gz UIHWBZQQQYIWBQ-UHFFFAOYSA-N 0 3 338.249 3.230 20 10 EGCDHN CN(C)c1cc(F)c(CNCCc2ccccc2[N+](=O)[O-])cc1F ZINC000858146955 1328696190 /nfs/dbraw/zinc/69/61/90/1328696190.db2.gz SSHTVZLBDZMTIZ-UHFFFAOYSA-N 0 3 335.354 3.271 20 10 EGCDHN CN(C)c1ccc([C@H](CN[C@@H]2CCCc3scnc32)N(C)C)cc1 ZINC000903448407 1317701990 /nfs/dbraw/zinc/70/19/90/1317701990.db2.gz OOMZQJQDBQPSQT-SJORKVTESA-N 0 3 344.528 3.479 20 10 EGCDHN Cc1cc(Br)c([O-])c(C[NH2+]C[C@H]2CCCCN(C)C2)c1 ZINC000858245746 1328720894 /nfs/dbraw/zinc/72/08/94/1328720894.db2.gz NIXFDWSNMNLDPU-CYBMUJFWSA-N 0 3 341.293 3.285 20 10 EGCDHN CCCN(CC)C[C@@H](C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000810179601 1317970851 /nfs/dbraw/zinc/97/08/51/1317970851.db2.gz DGZBHRYVLBSHSS-GFCCVEGCSA-N 0 3 329.282 3.365 20 10 EGCDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000812772418 1318450823 /nfs/dbraw/zinc/45/08/23/1318450823.db2.gz MFECLBPFPCUZNB-AWEZNQCLSA-N 0 3 330.403 3.156 20 10 EGCDHN CC(C)N1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000915227248 1319448204 /nfs/dbraw/zinc/44/82/04/1319448204.db2.gz LRNCASLGSZHVFI-UHFFFAOYSA-N 0 3 346.475 3.111 20 10 EGCDHN C[C@@H]([NH2+][C@H](CN)C1CCCC1)c1cc(Br)ccc1[O-] ZINC000817980816 1319483820 /nfs/dbraw/zinc/48/38/20/1319483820.db2.gz DVHGEUBBKKAVEE-QMTHXVAHSA-N 0 3 327.266 3.323 20 10 EGCDHN COc1ccc(N2CC[C@@H](CNCc3csc([N+](=O)[O-])c3)C2)cc1 ZINC000818219438 1319521881 /nfs/dbraw/zinc/52/18/81/1319521881.db2.gz FRYJYMKRYOVMAV-ZDUSSCGKSA-N 0 3 347.440 3.281 20 10 EGCDHN COc1cc(OC)c(C[C@@H](C)[NH2+]Cc2cc(F)ccc2[O-])c(OC)c1 ZINC000824733208 1320281135 /nfs/dbraw/zinc/28/11/35/1320281135.db2.gz KMSOZPFIVHPUFK-GFCCVEGCSA-N 0 3 349.402 3.278 20 10 EGCDHN COc1cc(Br)cc(CN2CC[C@H](OC)[C@@H](C)C2)c1O ZINC000824815027 1320287974 /nfs/dbraw/zinc/28/79/74/1320287974.db2.gz HOOAMHALEKTRIJ-GWCFXTLKSA-N 0 3 344.249 3.020 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C[C@@H](CO)CC1CC1 ZINC000827359593 1320447747 /nfs/dbraw/zinc/44/77/47/1320447747.db2.gz QBOUDUUEMCBIDM-SFHVURJKSA-N 0 3 341.451 3.469 20 10 EGCDHN CC[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1=O)c1ccccc1[O-] ZINC000839540223 1320934880 /nfs/dbraw/zinc/93/48/80/1320934880.db2.gz IZAFYHKQMDPXCU-IRXDYDNUSA-N 0 3 328.387 3.378 20 10 EGCDHN Cc1cc(O)c(CN2CCC[C@H](NC(=O)N(C)C)C2)cc1C(C)C ZINC000840146670 1321037716 /nfs/dbraw/zinc/03/77/16/1321037716.db2.gz LPMZBQWYNRKIFT-INIZCTEOSA-N 0 3 333.476 3.060 20 10 EGCDHN C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1=O)c1cc(F)ccc1[O-] ZINC000840882405 1321169658 /nfs/dbraw/zinc/16/96/58/1321169658.db2.gz NUIHIWPQEYXTCN-MEDUHNTESA-N 0 3 332.350 3.127 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)C(=O)NC(C)C)c1[O-] ZINC000840890788 1321171809 /nfs/dbraw/zinc/17/18/09/1321171809.db2.gz OPPHRJIRRASYLA-GHMZBOCLSA-N 0 3 343.265 3.027 20 10 EGCDHN Cc1cc(N(C)C)ccc1CNCc1cnn(CC(F)(F)F)c1 ZINC000840936078 1321180927 /nfs/dbraw/zinc/18/09/27/1321180927.db2.gz GMDOLDJQOLBEBD-UHFFFAOYSA-N 0 3 326.366 3.110 20 10 EGCDHN COc1cc(Cl)cc(CN2CCC(c3ccncn3)CC2)c1O ZINC000840953659 1321185658 /nfs/dbraw/zinc/18/56/58/1321185658.db2.gz ZZGXGJBFALSCDJ-UHFFFAOYSA-N 0 3 333.819 3.224 20 10 EGCDHN COc1cccc(O)c1CN[C@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000841083202 1321215795 /nfs/dbraw/zinc/21/57/95/1321215795.db2.gz PRHWPZLTKUECHQ-HNNXBMFYSA-N 0 3 328.412 3.375 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)c1[O-] ZINC000843417435 1321514438 /nfs/dbraw/zinc/51/44/38/1321514438.db2.gz UFCQLZLKKHLLDK-WFASDCNBSA-N 0 3 325.836 3.445 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)c1[O-] ZINC000843417435 1321514442 /nfs/dbraw/zinc/51/44/42/1321514442.db2.gz UFCQLZLKKHLLDK-WFASDCNBSA-N 0 3 325.836 3.445 20 10 EGCDHN C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC2(CCCC2)O1 ZINC000843434770 1321518436 /nfs/dbraw/zinc/51/84/36/1321518436.db2.gz NTKNLYPFANNJIJ-KRWDZBQOSA-N 0 3 330.472 3.057 20 10 EGCDHN COc1cccc(CNCc2cn(-c3cccc(C)c3)nc2C)c1O ZINC000845969381 1321759967 /nfs/dbraw/zinc/75/99/67/1321759967.db2.gz DDESPFSBQCNAHM-UHFFFAOYSA-N 0 3 337.423 3.493 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+][C@@H](C)COCC2CC2)c1[O-] ZINC000846074101 1321766721 /nfs/dbraw/zinc/76/67/21/1321766721.db2.gz WXUOHIQAOSHRBD-NSHDSACASA-N 0 3 328.250 3.368 20 10 EGCDHN COc1ccc(C[NH2+]Cc2cn(-c3ccc(C)cc3)nc2C)c([O-])c1 ZINC000848908581 1322041362 /nfs/dbraw/zinc/04/13/62/1322041362.db2.gz XTYQQDPFHNSONM-UHFFFAOYSA-N 0 3 337.423 3.493 20 10 EGCDHN COc1cccc([O-])c1C[NH2+]C[C@](C)(COCc1ccccc1)OC ZINC000850357782 1322233390 /nfs/dbraw/zinc/23/33/90/1322233390.db2.gz VGUGVIMCDYHOIX-HXUWFJFHSA-N 0 3 345.439 3.112 20 10 EGCDHN COC[C@H](N[C@H](C)c1cccc(OC)c1O)c1cccc(OC)c1 ZINC000850513616 1322259713 /nfs/dbraw/zinc/25/97/13/1322259713.db2.gz HQDYTRXQBLRMEW-DYVFJYSZSA-N 0 3 331.412 3.448 20 10 EGCDHN C[C@@H](NCc1ccc2c(c1)CCCO2)c1ccc(NC(N)=O)cc1 ZINC000921738563 1322388036 /nfs/dbraw/zinc/38/80/36/1322388036.db2.gz RNDQSJXRMWIDQC-CYBMUJFWSA-N 0 3 325.412 3.353 20 10 EGCDHN CCOc1ccc(C[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)c([O-])c1 ZINC000856813431 1325530409 /nfs/dbraw/zinc/53/04/09/1325530409.db2.gz VGWWZUPUFYPGLY-ZDUSSCGKSA-N 0 3 338.448 3.184 20 10 EGCDHN C[C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)C[C@H](C)C1(F)F ZINC000862442273 1329487729 /nfs/dbraw/zinc/48/77/29/1329487729.db2.gz HIWGYBOOGONRPY-OKILXGFUSA-N 0 3 342.405 3.385 20 10 EGCDHN CC(C)(C)OC(=O)N[C@H](C[NH2+]Cc1ccccc1[O-])CC(F)(F)F ZINC000865442730 1329698048 /nfs/dbraw/zinc/69/80/48/1329698048.db2.gz QUSGCCBTMQAXHS-LBPRGKRZSA-N 0 3 348.365 3.328 20 10 EGCDHN COc1ccc(CNCc2ccc(OC(F)F)cc2F)c(O)c1 ZINC000865786420 1329738347 /nfs/dbraw/zinc/73/83/47/1329738347.db2.gz CYPYAYGLNRSBGB-UHFFFAOYSA-N 0 3 327.302 3.431 20 10 EGCDHN [O-]c1cccc2c1[C@@H]([NH2+]Cc1ccnc(N3CCSCC3)c1)CC2 ZINC000866474766 1330116688 /nfs/dbraw/zinc/11/66/88/1330116688.db2.gz SIQAZXVPZOUUCO-INIZCTEOSA-N 0 3 341.480 3.118 20 10 EGCDHN CC(C)=CCN1CC[C@](C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001046862844 1347135382 /nfs/dbraw/zinc/13/53/82/1347135382.db2.gz QYWCQQPQBXZUIF-SFHVURJKSA-N 0 3 343.431 3.009 20 10 EGCDHN [O-]c1ccccc1C[NH+]1CCC(NC(=S)Nc2ccccc2)CC1 ZINC001200847483 1369438383 /nfs/dbraw/zinc/43/83/83/1369438383.db2.gz KTIOCFLTLMRDLT-UHFFFAOYSA-N 0 3 341.480 3.343 20 10 EGCDHN COC[C@H](C)[N@H+](Cc1cccc(OC)c1)Cc1ccc(OC)cc1[O-] ZINC001203629239 1370192910 /nfs/dbraw/zinc/19/29/10/1370192910.db2.gz UBTLVNRTMUCDSW-HNNXBMFYSA-N 0 3 345.439 3.447 20 10 EGCDHN COC[C@H](C)[N@@H+](Cc1cccc(OC)c1)Cc1ccc(OC)cc1[O-] ZINC001203629239 1370192914 /nfs/dbraw/zinc/19/29/14/1370192914.db2.gz UBTLVNRTMUCDSW-HNNXBMFYSA-N 0 3 345.439 3.447 20 10 EGCDHN COc1ccc(C[NH+]2CCC3(CC2)OC(=O)c2ccccc23)c([O-])c1 ZINC001203628028 1370193364 /nfs/dbraw/zinc/19/33/64/1370193364.db2.gz WFFASNJKTBGART-UHFFFAOYSA-N 0 3 339.391 3.063 20 10 EGCDHN C[C@@H]1CN(Cc2ccc(N(C)C)cc2)CCN(C(=O)OC(C)(C)C)C1 ZINC001203929553 1370317783 /nfs/dbraw/zinc/31/77/83/1370317783.db2.gz GCMAKUCSIYVLPD-MRXNPFEDSA-N 0 3 347.503 3.441 20 10 EGCDHN COc1ccc(OC2CCN(Cc3ccc(N(C)C)cc3)CC2)nc1 ZINC001203935409 1370321123 /nfs/dbraw/zinc/32/11/23/1370321123.db2.gz HBRXHTMOKKFYJB-UHFFFAOYSA-N 0 3 341.455 3.200 20 10 EGCDHN CN(C)c1ccc(CN2CC(CCNC(=O)OC(C)(C)C)C2)cc1 ZINC001203937706 1370322032 /nfs/dbraw/zinc/32/20/32/1370322032.db2.gz NRGMRSVFWKPITM-UHFFFAOYSA-N 0 3 333.476 3.099 20 10 EGCDHN O=C(c1ccccc1F)C1CCN(Cc2ccc(O)cc2O)CC1 ZINC001204278077 1370430040 /nfs/dbraw/zinc/43/00/40/1370430040.db2.gz SCMNHOLTWRWQHU-UHFFFAOYSA-N 0 3 329.371 3.332 20 10 EGCDHN CN(C)c1ccc(CN2CC[C@](N)(C(F)(F)F)C2)c2ccccc21 ZINC001206221485 1370996520 /nfs/dbraw/zinc/99/65/20/1370996520.db2.gz HMFCASYQNCYBAW-QGZVFWFLSA-N 0 3 337.389 3.371 20 10 EGCDHN COc1ccc(N2CCN(CCCc3cccnc3)CC2)c(C)c1 ZINC001209186607 1372030038 /nfs/dbraw/zinc/03/00/38/1372030038.db2.gz ZASZIAQSIFJIKB-UHFFFAOYSA-N 0 3 325.456 3.153 20 10 EGCDHN N[C@@H](c1ccccc1)[C@@H](O)c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217729066 1373496402 /nfs/dbraw/zinc/49/64/02/1373496402.db2.gz XBNCSPRCONRHOI-ZWKOTPCHSA-N 0 3 346.390 3.261 20 10 EGCDHN COc1ccc(Br)c(C[N@@H+]2CCC[C@@H](F)CC2)c1[O-] ZINC001231548197 1376261793 /nfs/dbraw/zinc/26/17/93/1376261793.db2.gz PHJDLIWHIKQMDQ-SNVBAGLBSA-N 0 3 332.213 3.487 20 10 EGCDHN COc1ccc(Br)c(C[N@H+]2CCC[C@@H](F)CC2)c1[O-] ZINC001231548197 1376261796 /nfs/dbraw/zinc/26/17/96/1376261796.db2.gz PHJDLIWHIKQMDQ-SNVBAGLBSA-N 0 3 332.213 3.487 20 10 EGCDHN COc1ccc(Br)c(CN2CCC[C@@H](F)CC2)c1O ZINC001231548197 1376261801 /nfs/dbraw/zinc/26/18/01/1376261801.db2.gz PHJDLIWHIKQMDQ-SNVBAGLBSA-N 0 3 332.213 3.487 20 10 EGCDHN COc1ccc(Br)c(CN2CC[C@H](OC(C)C)C2)c1O ZINC001231556622 1376264463 /nfs/dbraw/zinc/26/44/63/1376264463.db2.gz KJSVMNBFHGJLTE-NSHDSACASA-N 0 3 344.249 3.163 20 10 EGCDHN [O-]c1c(C[NH+]2CCC(n3ccnc3)CC2)cccc1OC(F)(F)F ZINC001233768605 1376712272 /nfs/dbraw/zinc/71/22/72/1376712272.db2.gz WHWPFXIJDWNWRS-UHFFFAOYSA-N 0 3 341.333 3.324 20 10 EGCDHN C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1[O-])CC1CCOCC1 ZINC001237052991 1376972371 /nfs/dbraw/zinc/97/23/71/1376972371.db2.gz GNKPDJVLSDFXAQ-UHFFFAOYSA-N 0 3 333.350 3.192 20 10 EGCDHN C[N@H+](Cc1ccc(OCC(F)(F)F)cc1[O-])CC1CCOCC1 ZINC001237052991 1376972377 /nfs/dbraw/zinc/97/23/77/1376972377.db2.gz GNKPDJVLSDFXAQ-UHFFFAOYSA-N 0 3 333.350 3.192 20 10 EGCDHN COC(=O)Cc1ccc(C[N@H+](C)CCc2cccc(Cl)c2)c([O-])c1 ZINC001249207342 1377072682 /nfs/dbraw/zinc/07/26/82/1377072682.db2.gz CGIMXFCKHYBGMS-UHFFFAOYSA-N 0 3 347.842 3.436 20 10 EGCDHN COC(=O)Cc1ccc(C[N@@H+](C)CCc2cccc(Cl)c2)c([O-])c1 ZINC001249207342 1377072686 /nfs/dbraw/zinc/07/26/86/1377072686.db2.gz CGIMXFCKHYBGMS-UHFFFAOYSA-N 0 3 347.842 3.436 20 10 EGCDHN CCN(Cc1ccc(CC(=O)OC)cc1O)Cc1ccccc1F ZINC001249207328 1377072790 /nfs/dbraw/zinc/07/27/90/1377072790.db2.gz BUFIBGRLLISWOL-UHFFFAOYSA-N 0 3 331.387 3.269 20 10 EGCDHN COC(=O)Cc1ccc(C[N@H+](C)[C@@H](C)c2ccccc2OC)c([O-])c1 ZINC001249207877 1377072837 /nfs/dbraw/zinc/07/28/37/1377072837.db2.gz LFQDWKAKBFLWNR-AWEZNQCLSA-N 0 3 343.423 3.309 20 10 EGCDHN COC(=O)Cc1ccc(C[N@@H+](C)[C@@H](C)c2ccccc2OC)c([O-])c1 ZINC001249207877 1377072842 /nfs/dbraw/zinc/07/28/42/1377072842.db2.gz LFQDWKAKBFLWNR-AWEZNQCLSA-N 0 3 343.423 3.309 20 10 EGCDHN [O-]c1c(F)cccc1C[N@@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001138130659 1377682762 /nfs/dbraw/zinc/68/27/62/1377682762.db2.gz FPIRHDWLQGEEDU-LPHOPBHVSA-N 0 3 326.415 3.238 20 10 EGCDHN [O-]c1c(F)cccc1C[N@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001138130659 1377682765 /nfs/dbraw/zinc/68/27/65/1377682765.db2.gz FPIRHDWLQGEEDU-LPHOPBHVSA-N 0 3 326.415 3.238 20 10 EGCDHN [O-]c1c(F)cccc1CN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001138130659 1377682768 /nfs/dbraw/zinc/68/27/68/1377682768.db2.gz FPIRHDWLQGEEDU-LPHOPBHVSA-N 0 3 326.415 3.238 20 10 EGCDHN [O-]c1c(F)cccc1CN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001138130659 1377682769 /nfs/dbraw/zinc/68/27/69/1377682769.db2.gz FPIRHDWLQGEEDU-LPHOPBHVSA-N 0 3 326.415 3.238 20 10 EGCDHN COC(=O)c1ccc2c(C[N@@H+]3CCc4cccc([O-])c4C3)c[nH]c2c1 ZINC001138267211 1377696221 /nfs/dbraw/zinc/69/62/21/1377696221.db2.gz CAUQEHBMOCCXLI-UHFFFAOYSA-N 0 3 336.391 3.218 20 10 EGCDHN COC(=O)c1ccc2c(C[N@H+]3CCc4cccc([O-])c4C3)c[nH]c2c1 ZINC001138267211 1377696222 /nfs/dbraw/zinc/69/62/22/1377696222.db2.gz CAUQEHBMOCCXLI-UHFFFAOYSA-N 0 3 336.391 3.218 20 10 EGCDHN Oc1c(CN2CCc3cnccc3C2)cc2c3c1CCCN3CCC2 ZINC001138337984 1377705818 /nfs/dbraw/zinc/70/58/18/1377705818.db2.gz IMULJAMIEKOFFF-UHFFFAOYSA-N 0 3 335.451 3.044 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC[C@@H](C(=O)OC)CC2)c(OC)c1 ZINC001138391946 1377714773 /nfs/dbraw/zinc/71/47/73/1377714773.db2.gz KDUJHZBKWVLMAJ-MRXNPFEDSA-N 0 3 348.487 3.317 20 10 EGCDHN F[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)CCC1(F)F ZINC001138494600 1377733068 /nfs/dbraw/zinc/73/30/68/1377733068.db2.gz ALIQTDXOHGDXMY-MRXNPFEDSA-N 0 3 328.378 3.092 20 10 EGCDHN CC[N@H+](Cc1cccc(CN2CCOCC2)c1)Cc1ccccc1[O-] ZINC001139059346 1377823045 /nfs/dbraw/zinc/82/30/45/1377823045.db2.gz XURXAXFBFOMKIY-UHFFFAOYSA-N 0 3 340.467 3.247 20 10 EGCDHN CC[N@@H+](Cc1cccc(CN2CCOCC2)c1)Cc1ccccc1[O-] ZINC001139059346 1377823048 /nfs/dbraw/zinc/82/30/48/1377823048.db2.gz XURXAXFBFOMKIY-UHFFFAOYSA-N 0 3 340.467 3.247 20 10 EGCDHN CN1CCN(c2ccc(CN3CCCC(F)(F)[C@H](F)C3)cc2)CC1 ZINC001139407952 1377880678 /nfs/dbraw/zinc/88/06/78/1377880678.db2.gz HRRKTHJQGDOYDU-QGZVFWFLSA-N 0 3 341.421 3.008 20 10 EGCDHN CCC[C@@H](COC)[N@H+](CCC(=O)OCC)Cc1cc(F)ccc1[O-] ZINC001140060136 1377998407 /nfs/dbraw/zinc/99/84/07/1377998407.db2.gz MDNQXMZWTPVWQP-INIZCTEOSA-N 0 3 341.423 3.102 20 10 EGCDHN CCC[C@@H](COC)[N@@H+](CCC(=O)OCC)Cc1cc(F)ccc1[O-] ZINC001140060136 1377998408 /nfs/dbraw/zinc/99/84/08/1377998408.db2.gz MDNQXMZWTPVWQP-INIZCTEOSA-N 0 3 341.423 3.102 20 10 EGCDHN CC(C)[N@H+](C)[C@@H]1CCN(Cc2c([O-])cccc2Br)C1 ZINC001140103496 1378008465 /nfs/dbraw/zinc/00/84/65/1378008465.db2.gz MCTFGCIYJJTFKM-GFCCVEGCSA-N 0 3 327.266 3.069 20 10 EGCDHN CC(C)[N@@H+](C)[C@@H]1CCN(Cc2c([O-])cccc2Br)C1 ZINC001140103496 1378008470 /nfs/dbraw/zinc/00/84/70/1378008470.db2.gz MCTFGCIYJJTFKM-GFCCVEGCSA-N 0 3 327.266 3.069 20 10 EGCDHN COc1cc(CN(C)Cc2ccc(O)c(C)c2O)cc(OC)c1OC ZINC001140748723 1378128827 /nfs/dbraw/zinc/12/88/27/1378128827.db2.gz IZZBNMLQVSFCFC-UHFFFAOYSA-N 0 3 347.411 3.064 20 10 EGCDHN Cc1cnnc(N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2[O-])c1 ZINC001160616978 1382154102 /nfs/dbraw/zinc/15/41/02/1382154102.db2.gz ZREMKAIDUPXWDC-RTBURBONSA-N 0 3 336.395 3.049 20 10 EGCDHN CN(C)C[C@@H](NC(=O)NCc1ccc(N)cc1)c1ccc(Cl)cc1 ZINC001335738176 1388915625 /nfs/dbraw/zinc/91/56/25/1388915625.db2.gz WWPZMYGKXNUPGU-QGZVFWFLSA-N 0 3 346.862 3.024 20 10 EGCDHN CN1CCN(c2ccc(CN[C@@H]3CCCc4occc43)cc2F)CC1 ZINC001318630625 1385805102 /nfs/dbraw/zinc/80/51/02/1385805102.db2.gz XFGQRINKYKPXFE-GOSISDBHSA-N 0 3 343.446 3.338 20 10 EGCDHN O=C1CCCCN1[C@@H]1CCCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001333371615 1390291802 /nfs/dbraw/zinc/29/18/02/1390291802.db2.gz SBRXNJPNLJSKEE-HXUWFJFHSA-N 0 3 341.499 3.264 20 10 EGCDHN COc1cc(C)cc(CNc2ccc(N3CCN(C)CC3)cc2)c1O ZINC001350310189 1391445069 /nfs/dbraw/zinc/44/50/69/1391445069.db2.gz QRRCDMCSNNMFQZ-UHFFFAOYSA-N 0 3 341.455 3.073 20 10 EGCDHN COc1ccc(CNC2(CNC(=O)[C@@H]3CC34CCCC4)CC2)cc1C ZINC001754530735 1440622343 /nfs/dbraw/zinc/62/23/43/1440622343.db2.gz CUGFFHWEZPHWNJ-KRWDZBQOSA-N 0 3 342.483 3.322 20 10 EGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F)CC2 ZINC000297869631 202174836 /nfs/dbraw/zinc/17/48/36/202174836.db2.gz UOGVCHSNNGZBRR-RHSMWYFYSA-N 0 3 337.341 3.419 20 10 EGCDHN CCOc1cccc(C[NH2+]C[C@H](OC)c2cccc(OC)c2)c1[O-] ZINC000527739716 312929303 /nfs/dbraw/zinc/92/93/03/312929303.db2.gz SWEHTJYXWPJTQK-SFHVURJKSA-N 0 3 331.412 3.277 20 10 EGCDHN COc1ccc([C@H](C[NH2+][C@H](C)c2ccccc2[O-])N(C)C)cc1OC ZINC000183591590 455309460 /nfs/dbraw/zinc/30/94/60/455309460.db2.gz XGZMDCFAJOXBRR-PBHICJAKSA-N 0 3 344.455 3.363 20 10 EGCDHN Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3cc(C)ccc3[O-])C2)nc1 ZINC000092005433 454503231 /nfs/dbraw/zinc/50/32/31/454503231.db2.gz OJHSBSBGGVXQFT-INIZCTEOSA-N 0 3 339.439 3.255 20 10 EGCDHN Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cc(C)ccc3[O-])C2)nc1 ZINC000092005433 454503235 /nfs/dbraw/zinc/50/32/35/454503235.db2.gz OJHSBSBGGVXQFT-INIZCTEOSA-N 0 3 339.439 3.255 20 10 EGCDHN CCOc1cccc(C[NH2+]CCn2c(C)nc3ccccc32)c1[O-] ZINC000074336822 454566510 /nfs/dbraw/zinc/56/65/10/454566510.db2.gz QMIHREXJTNAEIE-UHFFFAOYSA-N 0 3 325.412 3.239 20 10 EGCDHN CCCOc1ccc(CN2CCC[C@@H]2[C@H](O)C(F)(F)F)c(O)c1 ZINC000123732053 454669581 /nfs/dbraw/zinc/66/95/81/454669581.db2.gz ASNBPRGYVXMXKD-HIFRSBDPSA-N 0 3 333.350 3.069 20 10 EGCDHN COc1cccc(C[NH+]2CCC([C@H](O)c3ccc(F)cc3)CC2)c1[O-] ZINC000093280292 454698281 /nfs/dbraw/zinc/69/82/81/454698281.db2.gz NHLQPHUUTVYEKF-LJQANCHMSA-N 0 3 345.414 3.486 20 10 EGCDHN COc1cccc(CN2CCC([C@H](O)c3ccc(F)cc3)CC2)c1O ZINC000093280292 454698285 /nfs/dbraw/zinc/69/82/85/454698285.db2.gz NHLQPHUUTVYEKF-LJQANCHMSA-N 0 3 345.414 3.486 20 10 EGCDHN C[C@@H](NC[C@H](O)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000153794056 454833760 /nfs/dbraw/zinc/83/37/60/454833760.db2.gz TUHUGFANEJBYOB-QRWLVFNGSA-N 0 3 344.430 3.047 20 10 EGCDHN COc1ccc([C@H](CO)N(C)Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000126412817 454892740 /nfs/dbraw/zinc/89/27/40/454892740.db2.gz BOHXKGKDIXATPS-IBGZPJMESA-N 0 3 332.419 3.066 20 10 EGCDHN C[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccc(Br)cc1[O-] ZINC000184997884 455483592 /nfs/dbraw/zinc/48/35/92/455483592.db2.gz KHZAXWKJTMZWQD-VXGBXAGGSA-N 0 3 339.277 3.290 20 10 EGCDHN Cc1cc(O)c(CN2CCC[C@H](NC(=O)OC(C)(C)C)C2)cc1C ZINC000170646392 454948464 /nfs/dbraw/zinc/94/84/64/454948464.db2.gz OEEUGYHNOZCTDD-INIZCTEOSA-N 0 3 334.460 3.498 20 10 EGCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000179555262 455057608 /nfs/dbraw/zinc/05/76/08/455057608.db2.gz VALKUAIZBWDUJQ-INIZCTEOSA-N 0 3 326.444 3.090 20 10 EGCDHN [O-]c1ccccc1C[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000179555262 455057611 /nfs/dbraw/zinc/05/76/11/455057611.db2.gz VALKUAIZBWDUJQ-INIZCTEOSA-N 0 3 326.444 3.090 20 10 EGCDHN Cc1ccc(C(=O)NC2CC[NH+](Cc3ccccc3[O-])CC2)s1 ZINC000179565286 455058589 /nfs/dbraw/zinc/05/85/89/455058589.db2.gz CXGWJEDSPKELFD-UHFFFAOYSA-N 0 3 330.453 3.157 20 10 EGCDHN CN(C[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1)C(=O)OC(C)(C)C ZINC000179561762 455058931 /nfs/dbraw/zinc/05/89/31/455058931.db2.gz VIWJFCCFPPWIGO-HNNXBMFYSA-N 0 3 334.460 3.471 20 10 EGCDHN CN(C[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1)C(=O)OC(C)(C)C ZINC000179561762 455058933 /nfs/dbraw/zinc/05/89/33/455058933.db2.gz VIWJFCCFPPWIGO-HNNXBMFYSA-N 0 3 334.460 3.471 20 10 EGCDHN CC[C@@H]([NH2+]CCOc1cccc(NC(C)=O)c1)c1ccccc1[O-] ZINC000156474239 455122914 /nfs/dbraw/zinc/12/29/14/455122914.db2.gz QHTQBYRUOJSDBR-GOSISDBHSA-N 0 3 328.412 3.470 20 10 EGCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000183440130 455292411 /nfs/dbraw/zinc/29/24/11/455292411.db2.gz WYVHBKLCQILMMX-ZIAGYGMSSA-N 0 3 348.468 3.054 20 10 EGCDHN C[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1[O-] ZINC000183440112 455292827 /nfs/dbraw/zinc/29/28/27/455292827.db2.gz WYVHBKLCQILMMX-UONOGXRCSA-N 0 3 348.468 3.054 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](c2cccs2)N2CCOCC2)c([O-])c1 ZINC000184853190 455461193 /nfs/dbraw/zinc/46/11/93/455461193.db2.gz OFXIINAXMMWWLF-NVXWUHKLSA-N 0 3 346.496 3.486 20 10 EGCDHN C[C@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1cc(F)ccc1[O-] ZINC000184967536 455479063 /nfs/dbraw/zinc/47/90/63/455479063.db2.gz PMGIKLLLHIECGI-LBPRGKRZSA-N 0 3 332.375 3.080 20 10 EGCDHN CCN1CCN(CCC[NH2+][C@H](C)c2ccc3ccccc3c2[O-])CC1 ZINC000185013951 455486849 /nfs/dbraw/zinc/48/68/49/455486849.db2.gz NOUICZSLNRVQGL-QGZVFWFLSA-N 0 3 341.499 3.224 20 10 EGCDHN CCOC(=O)[C@](C)(C[NH2+]Cc1cccc(OC)c1[O-])c1ccccc1 ZINC000191640122 455506196 /nfs/dbraw/zinc/50/61/96/455506196.db2.gz CRDCTUJZAPIBCR-HXUWFJFHSA-N 0 3 343.423 3.011 20 10 EGCDHN CCN1CCN(c2cccc(NCc3cc(OC)ccc3O)c2)CC1 ZINC000191884884 455528372 /nfs/dbraw/zinc/52/83/72/455528372.db2.gz TXMNNXYBQPRXNZ-UHFFFAOYSA-N 0 3 341.455 3.155 20 10 EGCDHN COCCCN1CCC([NH2+][C@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000185314316 455537604 /nfs/dbraw/zinc/53/76/04/455537604.db2.gz PYOQBSUSUSHPCA-CYBMUJFWSA-N 0 3 326.868 3.197 20 10 EGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCNC(=O)c2ccccc2Cl)c1 ZINC000185446416 455559065 /nfs/dbraw/zinc/55/90/65/455559065.db2.gz AJTDHYMJCNGIHN-ZDUSSCGKSA-N 0 3 332.831 3.435 20 10 EGCDHN COc1cc(OC)cc([C@H](O)C[NH2+][C@@H](C)c2cc(C)ccc2[O-])c1 ZINC000185486867 455564880 /nfs/dbraw/zinc/56/48/80/455564880.db2.gz PBOVOMAYSGGVQH-ORAYPTAESA-N 0 3 331.412 3.102 20 10 EGCDHN COc1ccc([C@@H](CN(C)C)NCc2ccc(N(C)C)cc2)cc1 ZINC000283932820 455612696 /nfs/dbraw/zinc/61/26/96/455612696.db2.gz JFVHKBOMIPOUAW-HXUWFJFHSA-N 0 3 327.472 3.154 20 10 EGCDHN COc1cc(NCC[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc(OC)c1 ZINC000186154950 455704556 /nfs/dbraw/zinc/70/45/56/455704556.db2.gz JPPVKJXWHVVDSG-AWEZNQCLSA-N 0 3 330.428 3.481 20 10 EGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000186190619 455712180 /nfs/dbraw/zinc/71/21/80/455712180.db2.gz WXAIAFKMVOBGHB-AEFFLSMTSA-N 0 3 338.451 3.400 20 10 EGCDHN C[C@H](NC[C@H](O)c1ccccc1F)c1ccc(N2CCOCC2)cc1 ZINC000268826190 455716229 /nfs/dbraw/zinc/71/62/29/455716229.db2.gz YYZGZORUBWCQEU-YWZLYKJASA-N 0 3 344.430 3.047 20 10 EGCDHN CC(C)n1nccc1[C@H]1OCC[C@@H]1NCc1ccc(N(C)C)c(F)c1 ZINC000284650069 455719570 /nfs/dbraw/zinc/71/95/70/455719570.db2.gz GEFYWXMHKYWVCK-LPHOPBHVSA-N 0 3 346.450 3.289 20 10 EGCDHN CC[C@@H]([NH2+]Cc1cc(OC)ccc1[O-])[C@@H](O)c1c(F)cccc1F ZINC000271792746 455761732 /nfs/dbraw/zinc/76/17/32/455761732.db2.gz HEADBLUGWKLYPK-CRAIPNDOSA-N 0 3 337.366 3.281 20 10 EGCDHN C[C@H]([NH2+]CCCCNC(=O)OC(C)(C)C)c1cc(F)ccc1[O-] ZINC000186517984 455785227 /nfs/dbraw/zinc/78/52/27/455785227.db2.gz KMJGFCPXQBYFAP-LBPRGKRZSA-N 0 3 326.412 3.487 20 10 EGCDHN COc1ccc([O-])c(C[NH2+]C2(Cc3ccc(F)cc3)CCOCC2)c1 ZINC000293520524 455790033 /nfs/dbraw/zinc/79/00/33/455790033.db2.gz AXXPPSKRXNJROA-UHFFFAOYSA-N 0 3 345.414 3.421 20 10 EGCDHN [O-]c1cc2c(cc1C[NH2+][C@@H](c1ccccc1)C1(CO)CCC1)OCO2 ZINC000293939829 455801109 /nfs/dbraw/zinc/80/11/09/455801109.db2.gz OGBBBKMIUXTEFN-IBGZPJMESA-N 0 3 341.407 3.114 20 10 EGCDHN OCC1([C@@H](NCc2cc3c(cc2O)OCO3)c2ccccc2)CCC1 ZINC000293939829 455801114 /nfs/dbraw/zinc/80/11/14/455801114.db2.gz OGBBBKMIUXTEFN-IBGZPJMESA-N 0 3 341.407 3.114 20 10 EGCDHN C[C@@H]([NH2+][C@H](CCc1ccccc1)c1ccccc1[O-])C(=O)NCCF ZINC000294329462 455811648 /nfs/dbraw/zinc/81/16/48/455811648.db2.gz OWDVFXGNVQFKTB-CRAIPNDOSA-N 0 3 344.430 3.130 20 10 EGCDHN C[C@@H](CCO)CC[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000294671110 455823675 /nfs/dbraw/zinc/82/36/75/455823675.db2.gz AOCXGKWONPUGSM-MRXNPFEDSA-N 0 3 329.440 3.469 20 10 EGCDHN Cc1cc(C)c([C@H](C)[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)c([O-])c1 ZINC000285321142 455823916 /nfs/dbraw/zinc/82/39/16/455823916.db2.gz TWNLMSVDCGYVJF-RYQLBKOJSA-N 0 3 332.488 3.037 20 10 EGCDHN C[C@H]([NH2+]CCCCCS(C)(=O)=O)c1cc2c(cc1[O-])CCCC2 ZINC000186859652 455844588 /nfs/dbraw/zinc/84/45/88/455844588.db2.gz OPAHAGODWUHLHB-AWEZNQCLSA-N 0 3 339.501 3.137 20 10 EGCDHN C[C@H]1OCC[C@@]12C[N@H+](Cc1cc(-c3ccccc3)ccc1[O-])CCO2 ZINC000279704476 455870921 /nfs/dbraw/zinc/87/09/21/455870921.db2.gz RPZNCTYCFWLTQS-IIBYNOLFSA-N 0 3 339.435 3.439 20 10 EGCDHN C[C@H]1OCC[C@@]12C[N@@H+](Cc1cc(-c3ccccc3)ccc1[O-])CCO2 ZINC000279704476 455870924 /nfs/dbraw/zinc/87/09/24/455870924.db2.gz RPZNCTYCFWLTQS-IIBYNOLFSA-N 0 3 339.435 3.439 20 10 EGCDHN CC[C@@H]([NH2+]CCNC(=O)c1c(F)cccc1F)c1ccc(C)cc1[O-] ZINC000279921261 455876496 /nfs/dbraw/zinc/87/64/96/455876496.db2.gz AFHQJLIMTAGINN-MRXNPFEDSA-N 0 3 348.393 3.450 20 10 EGCDHN CC[C@H]([NH2+]CCNC(=O)c1ccc(OC)cc1)c1ccc(C)cc1[O-] ZINC000279985223 455879700 /nfs/dbraw/zinc/87/97/00/455879700.db2.gz DXCAXCNEMCNUII-SFHVURJKSA-N 0 3 342.439 3.180 20 10 EGCDHN CCOc1cccc(CNCc2cccc(NC(=O)OC)c2)c1O ZINC000285608462 455880243 /nfs/dbraw/zinc/88/02/43/455880243.db2.gz VRQFNVGOFDHFNZ-UHFFFAOYSA-N 0 3 330.384 3.259 20 10 EGCDHN CC[C@H](NCC1(S(C)(=O)=O)CCCC1)c1ccc(N(C)C)cc1 ZINC000285677407 455894590 /nfs/dbraw/zinc/89/45/90/455894590.db2.gz NJIHHEYOQICWBJ-KRWDZBQOSA-N 0 3 338.517 3.151 20 10 EGCDHN O=C(NC1CCCCC1)C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000272280955 455900533 /nfs/dbraw/zinc/90/05/33/455900533.db2.gz MTEHKWGOQQYPDH-UHFFFAOYSA-N 0 3 334.435 3.192 20 10 EGCDHN C[C@@H](C[S@@](C)=O)N(C)Cc1ccc(OCc2ccccc2)cc1O ZINC000187838987 455960364 /nfs/dbraw/zinc/96/03/64/455960364.db2.gz SKUQPHLTXFXWMD-IZHWHUGBSA-N 0 3 347.480 3.170 20 10 EGCDHN O=C(CCC[NH2+][C@H]1CCc2cccc([O-])c21)N1Cc2ccccc2C1 ZINC000296699036 456012899 /nfs/dbraw/zinc/01/28/99/456012899.db2.gz HPAOTVFGTYSJIM-SFHVURJKSA-N 0 3 336.435 3.292 20 10 EGCDHN CC(C)C[C@@H]([NH2+][C@H]1CCc2cccc([O-])c21)C(=O)Nc1nccs1 ZINC000296833365 456048708 /nfs/dbraw/zinc/04/87/08/456048708.db2.gz MRQNSJDCDSUKJL-UONOGXRCSA-N 0 3 345.468 3.479 20 10 EGCDHN CC[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc(Cl)c1[O-] ZINC000287174952 456062621 /nfs/dbraw/zinc/06/26/21/456062621.db2.gz UTZSDHJRTRZQNN-INIZCTEOSA-N 0 3 339.911 3.112 20 10 EGCDHN CC[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cccc(Cl)c1[O-] ZINC000287527933 456071555 /nfs/dbraw/zinc/07/15/55/456071555.db2.gz DNRMVIIEVABTGU-KRWDZBQOSA-N 0 3 339.911 3.112 20 10 EGCDHN COC[C@H](NCc1cc2c(cc1O)OCO2)c1cccc(Cl)c1 ZINC000288546966 456098954 /nfs/dbraw/zinc/09/89/54/456098954.db2.gz LDXJVBGMAQNMHO-AWEZNQCLSA-N 0 3 335.787 3.252 20 10 EGCDHN COCCOCc1ccc(CNCc2ccc(N(C)C)c(F)c2)cc1 ZINC000289623189 456133490 /nfs/dbraw/zinc/13/34/90/456133490.db2.gz FTCYBUHJPSZBCD-UHFFFAOYSA-N 0 3 346.446 3.345 20 10 EGCDHN COc1cc([O-])c(C[N@H+](C)CCCOCc2ccccc2)cc1OC ZINC000281213573 456166241 /nfs/dbraw/zinc/16/62/41/456166241.db2.gz JWLQVOPWNINKEI-UHFFFAOYSA-N 0 3 345.439 3.448 20 10 EGCDHN COc1cc([O-])c(C[N@@H+](C)CCCOCc2ccccc2)cc1OC ZINC000281213573 456166245 /nfs/dbraw/zinc/16/62/45/456166245.db2.gz JWLQVOPWNINKEI-UHFFFAOYSA-N 0 3 345.439 3.448 20 10 EGCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CCC[C@@H](OCCO)C1 ZINC000271208840 456173586 /nfs/dbraw/zinc/17/35/86/456173586.db2.gz XHXKWCZJJGSQCU-LJQANCHMSA-N 0 3 327.424 3.033 20 10 EGCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000271208840 456173589 /nfs/dbraw/zinc/17/35/89/456173589.db2.gz XHXKWCZJJGSQCU-LJQANCHMSA-N 0 3 327.424 3.033 20 10 EGCDHN CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000263688846 456193041 /nfs/dbraw/zinc/19/30/41/456193041.db2.gz OFXJGPIIPXJXJJ-LSDHHAIUSA-N 0 3 326.440 3.452 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCc2cc(OC)c(OC)cc2OC)c1 ZINC000273381855 456227076 /nfs/dbraw/zinc/22/70/76/456227076.db2.gz IIGKPIBBUKOGAG-LBPRGKRZSA-N 0 3 347.411 3.277 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)nc2)c([O-])c1C ZINC000273438415 456229791 /nfs/dbraw/zinc/22/97/91/456229791.db2.gz XPZLECOJVMMKMT-INIZCTEOSA-N 0 3 341.455 3.091 20 10 EGCDHN Cc1ccc([C@H](C)NCc2ccc(N3CCOCC3)nc2)c(O)c1C ZINC000273438415 456229796 /nfs/dbraw/zinc/22/97/96/456229796.db2.gz XPZLECOJVMMKMT-INIZCTEOSA-N 0 3 341.455 3.091 20 10 EGCDHN CN1CCC[C@H](CNC(=O)Cc2ccc(N)cc2)[C@@H]1c1cccs1 ZINC000237123938 456235943 /nfs/dbraw/zinc/23/59/43/456235943.db2.gz LTOGDPFAHOUYBF-DNVCBOLYSA-N 0 3 343.496 3.072 20 10 EGCDHN C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CC(=O)N2C)c1cc(F)ccc1[O-] ZINC000273574609 456239270 /nfs/dbraw/zinc/23/92/70/456239270.db2.gz LKFMQNMKOWRAQG-NWDGAFQWSA-N 0 3 328.387 3.462 20 10 EGCDHN COc1cccc(C[NH2+]C2CCC(O)(c3ccccc3)CC2)c1[O-] ZINC000273709315 456243185 /nfs/dbraw/zinc/24/31/85/456243185.db2.gz KPAXYEYVJYPVPB-UHFFFAOYSA-N 0 3 327.424 3.321 20 10 EGCDHN CC[C@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)c1ccccc1[O-] ZINC000274783218 456264890 /nfs/dbraw/zinc/26/48/90/456264890.db2.gz PTKNENJJOBFECH-ZWKOTPCHSA-N 0 3 339.439 3.019 20 10 EGCDHN C[C@H](NCCn1cc(Br)cn1)c1ccc(N(C)C)cc1 ZINC000275013311 456268016 /nfs/dbraw/zinc/26/80/16/456268016.db2.gz RUWHHUBVCCVUSJ-LBPRGKRZSA-N 0 3 337.265 3.062 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)Cn2cccn2)c1[O-] ZINC000275332065 456272833 /nfs/dbraw/zinc/27/28/33/456272833.db2.gz NEMAHWNWCZPESL-RYUDHWBXSA-N 0 3 338.249 3.399 20 10 EGCDHN CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1ccc(N(C)C)c(F)c1 ZINC000275632304 456278007 /nfs/dbraw/zinc/27/80/07/456278007.db2.gz SJGQRTJONAFZKO-WMZOPIPTSA-N 0 3 346.450 3.118 20 10 EGCDHN C[C@@H](N[C@@H](C)C(=O)N1CCCC1)c1ccc(N2CCCCC2)cc1 ZINC000281706771 456298609 /nfs/dbraw/zinc/29/86/09/456298609.db2.gz TUWHXTQGVCDSJF-SJORKVTESA-N 0 3 329.488 3.338 20 10 EGCDHN C[C@@H]([NH2+][C@H]1CCN(C(=O)Nc2ccccc2)C1)c1ccccc1[O-] ZINC000282364178 456490276 /nfs/dbraw/zinc/49/02/76/456490276.db2.gz HXCCFRKBTQYYAH-ZBFHGGJFSA-N 0 3 325.412 3.349 20 10 EGCDHN C[C@H]([NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1)c1cc(F)ccc1[O-] ZINC000282436897 456513114 /nfs/dbraw/zinc/51/31/14/456513114.db2.gz MSZPLCAWASDJCS-XJKSGUPXSA-N 0 3 343.402 3.488 20 10 EGCDHN COCCOCc1ccc(C[NH2+][C@@H](C)c2cc(OC)ccc2[O-])cc1 ZINC000291354567 456616498 /nfs/dbraw/zinc/61/64/98/456616498.db2.gz XOYLFVPHWDFXIG-HNNXBMFYSA-N 0 3 345.439 3.415 20 10 EGCDHN CCN(CC)[C@@H](CNC(=O)NCc1ccccc1O)c1ccsc1 ZINC000299480598 456706548 /nfs/dbraw/zinc/70/65/48/456706548.db2.gz GWKPYQKUWZKQCF-INIZCTEOSA-N 0 3 347.484 3.336 20 10 EGCDHN CCCCN(Cc1ccccc1O)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000283536030 456798791 /nfs/dbraw/zinc/79/87/91/456798791.db2.gz GSNSBQJINVRVFH-RDJZCZTQSA-N 0 3 345.487 3.329 20 10 EGCDHN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](C)CN1CCCCC1 ZINC000349430195 456967793 /nfs/dbraw/zinc/96/77/93/456967793.db2.gz RFFULMBYNOGZQP-HNNXBMFYSA-N 0 3 342.487 3.160 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000363846692 457455238 /nfs/dbraw/zinc/45/52/38/457455238.db2.gz LWIZRYMRCRPLQQ-GOSISDBHSA-N 0 3 349.434 3.341 20 10 EGCDHN COc1ccc(N2CCC(NCc3cnn4ccccc34)CC2)cc1 ZINC000361255966 457668972 /nfs/dbraw/zinc/66/89/72/457668972.db2.gz YIRYQVHSKBEYSC-UHFFFAOYSA-N 0 3 336.439 3.102 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1[O-] ZINC000374994928 457747748 /nfs/dbraw/zinc/74/77/48/457747748.db2.gz BNZLLGAWNGTRNF-OLZOCXBDSA-N 0 3 340.261 3.322 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1[O-] ZINC000374994928 457747751 /nfs/dbraw/zinc/74/77/51/457747751.db2.gz BNZLLGAWNGTRNF-OLZOCXBDSA-N 0 3 340.261 3.322 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1)OCO2 ZINC000362389246 458146467 /nfs/dbraw/zinc/14/64/67/458146467.db2.gz NBVJNSOGBDQUTE-UZLBHIALSA-N 0 3 341.407 3.209 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1)OCO2 ZINC000362389246 458146472 /nfs/dbraw/zinc/14/64/72/458146472.db2.gz NBVJNSOGBDQUTE-UZLBHIALSA-N 0 3 341.407 3.209 20 10 EGCDHN CN1CCCc2cc(CNC[C@@H](O)c3ccc(F)cc3F)ccc21 ZINC000727643610 574680166 /nfs/dbraw/zinc/68/01/66/574680166.db2.gz FTUWTLMMBNJPJG-LJQANCHMSA-N 0 3 332.394 3.170 20 10 EGCDHN COC1CCN(C2(C[NH2+]Cc3cc(C)ccc3[O-])CCCC2)CC1 ZINC000733328582 575328097 /nfs/dbraw/zinc/32/80/97/575328097.db2.gz VVDOHZFXKZLLSK-UHFFFAOYSA-N 0 3 332.488 3.214 20 10 EGCDHN CCN(C)c1ccc(CN2CCN(c3ccc(O)cc3)CC2)cc1 ZINC000741752658 576717093 /nfs/dbraw/zinc/71/70/93/576717093.db2.gz DGHXAZJEAWIXSV-UHFFFAOYSA-N 0 3 325.456 3.171 20 10 EGCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000742246386 576762127 /nfs/dbraw/zinc/76/21/27/576762127.db2.gz ILBXABKVSDHGNV-CALCHBBNSA-N 0 3 331.504 3.362 20 10 EGCDHN C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(Br)cc3[O-])CC[C@H]21 ZINC000691681811 1298135921 /nfs/dbraw/zinc/13/59/21/1298135921.db2.gz YNKLEKPQSLQXPI-IUODEOHRSA-N 0 3 339.277 3.071 20 10 EGCDHN C[N@H+]1CCC[C@@H]2CN(Cc3ccc(Br)cc3[O-])CC[C@H]21 ZINC000691681811 1298135924 /nfs/dbraw/zinc/13/59/24/1298135924.db2.gz YNKLEKPQSLQXPI-IUODEOHRSA-N 0 3 339.277 3.071 20 10 EGCDHN Cc1ccc(C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)[C@H]2n2cccn2)c([O-])c1 ZINC000877572305 1299407461 /nfs/dbraw/zinc/40/74/61/1299407461.db2.gz OMZRIUAQWUKOFO-NXHRZFHOSA-N 0 3 329.444 3.184 20 10 EGCDHN CC[C@@H]([NH2+]C[C@H](O)COc1cccc(C)c1)c1ccc(C)cc1[O-] ZINC000794803814 1309598742 /nfs/dbraw/zinc/59/87/42/1309598742.db2.gz SDVOSNYMBSZOPD-QFBILLFUSA-N 0 3 329.440 3.490 20 10 EGCDHN Nc1ccc(CC(=O)N[C@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000831827293 1292923453 /nfs/dbraw/zinc/92/34/53/1292923453.db2.gz LBCINARDBBKWKW-HXUWFJFHSA-N 0 3 337.467 3.155 20 10 EGCDHN O=C1[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCCN1Cc1ccccc1 ZINC000834692443 1293132342 /nfs/dbraw/zinc/13/23/42/1293132342.db2.gz BIBGNEWJZFZMBY-ZWKOTPCHSA-N 0 3 336.435 3.160 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+]C[C@H](O)Cc2cccc(F)c2)c2c1c(F)ccc2[O-] ZINC000834828093 1293154836 /nfs/dbraw/zinc/15/48/36/1293154836.db2.gz OTDVEJGPDYIDPV-XFJVYGCCSA-N 0 3 333.378 3.412 20 10 EGCDHN CC[C@H]([NH2+][C@H]1CCO[C@@H](c2nccn2C)C1)c1ccc(C)cc1[O-] ZINC000834910216 1293174175 /nfs/dbraw/zinc/17/41/75/1293174175.db2.gz CLUSBGPKUZKNDH-QILLFSRXSA-N 0 3 329.444 3.395 20 10 EGCDHN O=C1[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C[C@H]2CCCCN12 ZINC000835074661 1293201027 /nfs/dbraw/zinc/20/10/27/1293201027.db2.gz SMBCFUOVNWBYHG-RTBURBONSA-N 0 3 336.435 3.302 20 10 EGCDHN COc1cc(O)c(CN2CCC(Oc3ccccc3)CC2)cc1OC ZINC000159944927 1294251967 /nfs/dbraw/zinc/25/19/67/1294251967.db2.gz SDPFNSHOZTVGOB-UHFFFAOYSA-N 0 3 343.423 3.453 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCC(=O)N2c3ccccc3C[C@@H]2C)c1 ZINC000182406178 1295044612 /nfs/dbraw/zinc/04/46/12/1295044612.db2.gz SHPNRYXQUOGQDZ-KBPBESRZSA-N 0 3 340.423 3.029 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]CC1(CO)CCC1 ZINC000183233515 1295105835 /nfs/dbraw/zinc/10/58/35/1295105835.db2.gz QEYSCVUWOWFARN-UHFFFAOYSA-N 0 3 327.424 3.223 20 10 EGCDHN C[C@H]([NH2+]C[C@@H](c1ccccc1)N1CCOCC1)c1ccccc1[O-] ZINC000183396141 1295115515 /nfs/dbraw/zinc/11/55/15/1295115515.db2.gz JCMPMTWMNXOWEH-LPHOPBHVSA-N 0 3 326.440 3.116 20 10 EGCDHN CC[C@@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1ccccc1[O-] ZINC000185212634 1295247629 /nfs/dbraw/zinc/24/76/29/1295247629.db2.gz VPZFWZOYUKMTII-GOSISDBHSA-N 0 3 326.440 3.377 20 10 EGCDHN Oc1cc2c(cc1CN1CCC(O)(C(F)(F)F)CC1)CCCC2 ZINC000305741275 1297039963 /nfs/dbraw/zinc/03/99/63/1297039963.db2.gz ZMCRJQPTFCMMHC-UHFFFAOYSA-N 0 3 329.362 3.160 20 10 EGCDHN CCOc1ccc(C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)c([O-])c1 ZINC000873179265 1297330109 /nfs/dbraw/zinc/33/01/09/1297330109.db2.gz GBLBZHZXZBEFGV-MRXNPFEDSA-N 0 3 335.831 3.138 20 10 EGCDHN C[C@H]1CCN(C(=O)Nc2ccc(N)cc2)CCN1Cc1ccccc1 ZINC000382761667 1297565388 /nfs/dbraw/zinc/56/53/88/1297565388.db2.gz ZLXCDKDMEPSRST-INIZCTEOSA-N 0 3 338.455 3.397 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)c([O-])c1 ZINC000385490026 1297583548 /nfs/dbraw/zinc/58/35/48/1297583548.db2.gz HXXHZUKXRHNJMZ-MJGOQNOKSA-N 0 3 340.467 3.252 20 10 EGCDHN CC[C@@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccccc1[O-] ZINC000702555041 1298195326 /nfs/dbraw/zinc/19/53/26/1298195326.db2.gz YKBLNBXNRJWGPE-CTNGQTDRSA-N 0 3 340.467 3.070 20 10 EGCDHN Cc1cccc([O-])c1C[NH+]1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000876637166 1298887495 /nfs/dbraw/zinc/88/74/95/1298887495.db2.gz RTEPJYFVVARVCT-UHFFFAOYSA-N 0 3 345.487 3.297 20 10 EGCDHN CN(C)c1ccc(CNCc2ccccc2OCCCCO)cc1 ZINC000876905181 1299059962 /nfs/dbraw/zinc/05/99/62/1299059962.db2.gz DZNSZALNGBYRCZ-UHFFFAOYSA-N 0 3 328.456 3.194 20 10 EGCDHN COc1ccc(N2CCC([NH2+]Cc3ccc(C)cc3[O-])CC2)cc1 ZINC000876999789 1299108874 /nfs/dbraw/zinc/10/88/74/1299108874.db2.gz YYUNBPHWVNSRJZ-UHFFFAOYSA-N 0 3 326.440 3.468 20 10 EGCDHN COc1ccc(CC[NH2+]Cc2c(C)cccc2[O-])c(OC)c1OC ZINC000877003911 1299109544 /nfs/dbraw/zinc/10/95/44/1299109544.db2.gz CJYTWOYEFLAFLK-UHFFFAOYSA-N 0 3 331.412 3.059 20 10 EGCDHN Cc1ccc(C[N@H+]2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000877167601 1299191016 /nfs/dbraw/zinc/19/10/16/1299191016.db2.gz CYDQYNALYIMCFY-HUUCEWRRSA-N 0 3 334.460 3.436 20 10 EGCDHN Cc1ccc(C[N@@H+]2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000877167601 1299191020 /nfs/dbraw/zinc/19/10/20/1299191020.db2.gz CYDQYNALYIMCFY-HUUCEWRRSA-N 0 3 334.460 3.436 20 10 EGCDHN C[C@@H](c1cccnc1)N(C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877317456 1299246863 /nfs/dbraw/zinc/24/68/63/1299246863.db2.gz OGOLEBXQGXPDRR-INIZCTEOSA-N 0 3 325.456 3.236 20 10 EGCDHN Cc1cc(N(C)C)ccc1CN1CCCN(C(=O)CC(C)C)CC1 ZINC000877773103 1299549445 /nfs/dbraw/zinc/54/94/45/1299549445.db2.gz DXAFBAQPLAZFJC-UHFFFAOYSA-N 0 3 331.504 3.141 20 10 EGCDHN CCOc1cccc(CN2CCN(c3ccc(C)cc3)CC2)c1O ZINC000753585045 1299981895 /nfs/dbraw/zinc/98/18/95/1299981895.db2.gz FEQRFALYPNLOEP-UHFFFAOYSA-N 0 3 326.440 3.422 20 10 EGCDHN COc1ccc(O)c([C@@H](C)N[C@@H](CC(=O)N(C)C)c2ccccc2)c1 ZINC000756454293 1300494745 /nfs/dbraw/zinc/49/47/45/1300494745.db2.gz LERKIRFSJJWAIB-KDOFPFPSSA-N 0 3 342.439 3.271 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]CCNC(=O)c2ccc(Cl)cc2)c([O-])c1 ZINC000756482298 1300503348 /nfs/dbraw/zinc/50/33/48/1300503348.db2.gz ZTKNKRNCZDPNTL-CYBMUJFWSA-N 0 3 332.831 3.435 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccccn3)C2)c2c1c(F)ccc2[O-] ZINC000756769552 1300562475 /nfs/dbraw/zinc/56/24/75/1300562475.db2.gz FYPCUVOHPTZWLT-UMVBOHGHSA-N 0 3 327.403 3.343 20 10 EGCDHN CCCOc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000879648332 1300647221 /nfs/dbraw/zinc/64/72/21/1300647221.db2.gz KFMPNFCPVZMVOD-OAHLLOKOSA-N 0 3 342.439 3.148 20 10 EGCDHN CCOc1ccc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)c([O-])c1 ZINC000758521320 1300901821 /nfs/dbraw/zinc/90/18/21/1300901821.db2.gz CMVQNKMKUYFCOQ-AZUAARDMSA-N 0 3 345.414 3.186 20 10 EGCDHN CN(C)c1ccc(CN(CCNC(=O)OC(C)(C)C)C2CC2)cc1 ZINC000759784956 1301160341 /nfs/dbraw/zinc/16/03/41/1301160341.db2.gz OXUXTSVHYPGDIF-UHFFFAOYSA-N 0 3 333.476 3.242 20 10 EGCDHN C[C@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000762648597 1301721136 /nfs/dbraw/zinc/72/11/36/1301721136.db2.gz JYTWLMIZZZQCMS-KBPBESRZSA-N 0 3 326.868 3.197 20 10 EGCDHN C[C@H](NCc1ccc(N2CCN(C)CC2)cc1)c1cccnc1Cl ZINC000883289209 1302367291 /nfs/dbraw/zinc/36/72/91/1302367291.db2.gz HNUVWUZAVCEEJJ-HNNXBMFYSA-N 0 3 344.890 3.338 20 10 EGCDHN Cc1csc([C@@H](C)NCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC000883290765 1302369607 /nfs/dbraw/zinc/36/96/07/1302369607.db2.gz GDRXERJFPHLPAX-OAHLLOKOSA-N 0 3 330.501 3.054 20 10 EGCDHN [O-]c1cc2c(cc1C[NH+]1CCC(c3ccccc3F)CC1)[C@@H](O)CO2 ZINC000768447263 1302908116 /nfs/dbraw/zinc/90/81/16/1302908116.db2.gz NXMMGSUNPDKWON-IBGZPJMESA-N 0 3 343.398 3.337 20 10 EGCDHN CCOc1ccc(C[N@H+](CCOC)CCc2ccccc2)c([O-])c1 ZINC000768583088 1302939635 /nfs/dbraw/zinc/93/96/35/1302939635.db2.gz FQLHRZWSPXLRRT-UHFFFAOYSA-N 0 3 329.440 3.482 20 10 EGCDHN CCOc1ccc(C[N@@H+](CCOC)CCc2ccccc2)c([O-])c1 ZINC000768583088 1302939640 /nfs/dbraw/zinc/93/96/40/1302939640.db2.gz FQLHRZWSPXLRRT-UHFFFAOYSA-N 0 3 329.440 3.482 20 10 EGCDHN CC(C)(C)[N@@H+]1CCCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000769184639 1303066501 /nfs/dbraw/zinc/06/65/01/1303066501.db2.gz CPJBFAUPLREOCH-UHFFFAOYSA-N 0 3 341.293 3.461 20 10 EGCDHN CC(C)(C)[N@H+]1CCCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000769184639 1303066506 /nfs/dbraw/zinc/06/65/06/1303066506.db2.gz CPJBFAUPLREOCH-UHFFFAOYSA-N 0 3 341.293 3.461 20 10 EGCDHN [O-]c1ccccc1C[NH2+]C[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000769419241 1303109557 /nfs/dbraw/zinc/10/95/57/1303109557.db2.gz MBKLPHKXZZRHPV-ZDUSSCGKSA-N 0 3 339.357 3.352 20 10 EGCDHN CCOc1ccc(CN2CCO[C@@]3(CCc4ccccc43)C2)c(O)c1 ZINC000769485220 1303123180 /nfs/dbraw/zinc/12/31/80/1303123180.db2.gz LYBZZKACBVKHPI-NRFANRHFSA-N 0 3 339.435 3.465 20 10 EGCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@@H]([NH2+][C@H]2CCCOCC2)C1 ZINC000771388936 1303397547 /nfs/dbraw/zinc/39/75/47/1303397547.db2.gz KVCVMGWLCAHOGH-DLBZAZTESA-N 0 3 338.879 3.169 20 10 EGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@H](CO)C[C@@H]1CCCO1 ZINC000886228599 1303403781 /nfs/dbraw/zinc/40/37/81/1303403781.db2.gz BVYNNEKTTATBPU-OALUTQOASA-N 0 3 327.424 3.079 20 10 EGCDHN C[C@@H](N[C@@H]1CCCN(CC(C)(C)C)C1=O)c1ccc(N(C)C)cc1 ZINC000774485935 1303816011 /nfs/dbraw/zinc/81/60/11/1303816011.db2.gz VFILSWPWXFXBON-CRAIPNDOSA-N 0 3 331.504 3.440 20 10 EGCDHN COCC[C@]1([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCOC1 ZINC000775034044 1303891685 /nfs/dbraw/zinc/89/16/85/1303891685.db2.gz PPQRACJVWNYMSE-FQEVSTJZSA-N 0 3 327.424 3.344 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCC(=O)N(C)[C@@H](C)c2ccccc2)c1 ZINC000775371448 1303948534 /nfs/dbraw/zinc/94/85/34/1303948534.db2.gz XYFVSCUHEJTXIW-GJZGRUSLSA-N 0 3 342.439 3.271 20 10 EGCDHN CCOC1CC([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)C1 ZINC000775633091 1303999316 /nfs/dbraw/zinc/99/93/16/1303999316.db2.gz JTADAJOFSCMABV-GTPINHCMSA-N 0 3 338.879 3.167 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+](CCO)CC(C)(C)C)c1[O-] ZINC000775680777 1304013495 /nfs/dbraw/zinc/01/34/95/1304013495.db2.gz IQZBBMHIXGQSIL-UHFFFAOYSA-N 0 3 330.266 3.304 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+](CCO)CC(C)(C)C)c1[O-] ZINC000775680777 1304013501 /nfs/dbraw/zinc/01/35/01/1304013501.db2.gz IQZBBMHIXGQSIL-UHFFFAOYSA-N 0 3 330.266 3.304 20 10 EGCDHN C[C@@H](NC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1)c1cccs1 ZINC000775834139 1304046562 /nfs/dbraw/zinc/04/65/62/1304046562.db2.gz KNNOCYMRRFRIHS-UONOGXRCSA-N 0 3 331.485 3.342 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+][C@@H](C)CN2CCCCC2)c1[O-] ZINC000775974845 1304072562 /nfs/dbraw/zinc/07/25/62/1304072562.db2.gz YKKYWZXHUHRJFO-ZDUSSCGKSA-N 0 3 341.293 3.427 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+]CC2(CO)CCCCC2)c1[O-] ZINC000776230105 1304117757 /nfs/dbraw/zinc/11/77/57/1304117757.db2.gz GKAKIWRLZONWNC-UHFFFAOYSA-N 0 3 342.277 3.496 20 10 EGCDHN [O-]c1ccc(F)cc1C[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000779104031 1304529113 /nfs/dbraw/zinc/52/91/13/1304529113.db2.gz KUYIAOGWNLZGDQ-CQSZACIVSA-N 0 3 340.192 3.117 20 10 EGCDHN CN(C)c1ccc([C@H](CNC(=O)CCCOC(C)(C)C)N(C)C)cc1 ZINC000891246612 1304999575 /nfs/dbraw/zinc/99/95/75/1304999575.db2.gz CBTLMZAXTKHMEO-SFHVURJKSA-N 0 3 349.519 3.067 20 10 EGCDHN Cc1ccc([C@H](CN2CCOCC2)[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000783493121 1305099032 /nfs/dbraw/zinc/09/90/32/1305099032.db2.gz DPHFTECKOXGUPM-PXNSSMCTSA-N 0 3 340.467 3.425 20 10 EGCDHN COc1ccc(C[N@H+](C)[C@@H](C)Cc2ccc(O)cc2)c([O-])c1OC ZINC000892019980 1305230485 /nfs/dbraw/zinc/23/04/85/1305230485.db2.gz XVTDCZCBMATBCW-ZDUSSCGKSA-N 0 3 331.412 3.178 20 10 EGCDHN COc1ccc(C[N@@H+](C)[C@@H](C)Cc2ccc(O)cc2)c([O-])c1OC ZINC000892019980 1305230491 /nfs/dbraw/zinc/23/04/91/1305230491.db2.gz XVTDCZCBMATBCW-ZDUSSCGKSA-N 0 3 331.412 3.178 20 10 EGCDHN CCOc1ccc(C[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)c([O-])c1 ZINC000785613430 1305394078 /nfs/dbraw/zinc/39/40/78/1305394078.db2.gz GKFWWXWUBANCIW-KRWDZBQOSA-N 0 3 339.794 3.407 20 10 EGCDHN Oc1cc(Cl)cc(CNCc2ccc(N3CCOCC3)cc2)c1 ZINC000892667862 1305495054 /nfs/dbraw/zinc/49/50/54/1305495054.db2.gz CKWJFQQVIXIFKL-UHFFFAOYSA-N 0 3 332.831 3.172 20 10 EGCDHN COc1ccc(C2(NCc3ccc(OC)c(OC)c3O)CC2)cc1 ZINC000892877831 1305591009 /nfs/dbraw/zinc/59/10/09/1305591009.db2.gz AJXWQBCKGNAZSM-UHFFFAOYSA-N 0 3 329.396 3.197 20 10 EGCDHN COc1ccc(CNCc2ccc(Cl)cc2OC)c(O)c1OC ZINC000892976461 1305635497 /nfs/dbraw/zinc/63/54/97/1305635497.db2.gz XCEDBMIZXQMRAZ-UHFFFAOYSA-N 0 3 337.803 3.361 20 10 EGCDHN COc1cc(C)cc(CN[C@H](Cn2cccn2)c2ccccc2)c1O ZINC000894290885 1306323950 /nfs/dbraw/zinc/32/39/50/1306323950.db2.gz GCBZSSGTOLENEK-GOSISDBHSA-N 0 3 337.423 3.437 20 10 EGCDHN COCCN(C)c1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000790989371 1308905549 /nfs/dbraw/zinc/90/55/49/1308905549.db2.gz BYCAAFCQLKWSFE-INIZCTEOSA-N 0 3 342.487 3.081 20 10 EGCDHN CN(C)c1ccc(CN2CCC(CCO)CC2)c(C(F)(F)F)c1 ZINC000792775854 1309228677 /nfs/dbraw/zinc/22/86/77/1309228677.db2.gz BUWAFPHAXBAUCZ-UHFFFAOYSA-N 0 3 330.394 3.366 20 10 EGCDHN CC[C@H]([NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccc(C)cc1[O-] ZINC000794813305 1309600107 /nfs/dbraw/zinc/60/01/07/1309600107.db2.gz CALJPXLNUBHATM-YCPHGPKFSA-N 0 3 325.474 3.097 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCN2CC=CCC2)c1[O-] ZINC000794837640 1309604711 /nfs/dbraw/zinc/60/47/11/1309604711.db2.gz YESZXRVHFXUYHO-ZDUSSCGKSA-N 0 3 339.277 3.376 20 10 EGCDHN C[C@H]1CN(Cc2cc3c(cc2O)CCCC3)C[C@]2(CCCOC2)O1 ZINC000794886842 1309616666 /nfs/dbraw/zinc/61/66/66/1309616666.db2.gz BERWRIZZIKDFRM-YWZLYKJASA-N 0 3 331.456 3.041 20 10 EGCDHN COc1cccc(O)c1CN1CC(c2nc(-c3ccccc3)no2)C1 ZINC000897320298 1310289289 /nfs/dbraw/zinc/28/92/89/1310289289.db2.gz SEXVKMNMUSMTBM-UHFFFAOYSA-N 0 3 337.379 3.050 20 10 EGCDHN CC(=O)c1ccnc(NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000897521179 1310361131 /nfs/dbraw/zinc/36/11/31/1310361131.db2.gz DWIRVDBYWZUOGR-GOSISDBHSA-N 0 3 326.444 3.065 20 10 EGCDHN C[C@H](N(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C1(C)CC1 ZINC000899102593 1310935545 /nfs/dbraw/zinc/93/55/45/1310935545.db2.gz RBOPTBRCAZCZGB-MAUKXSAKSA-N 0 3 346.519 3.185 20 10 EGCDHN [O-]c1cc(Br)ccc1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000824855672 1320291963 /nfs/dbraw/zinc/29/19/63/1320291963.db2.gz OGRABCQRZIGRLJ-ZDUSSCGKSA-N 0 3 339.277 3.072 20 10 EGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](C(C)C)N2CCOCC2)c1[O-] ZINC000808673463 1317712769 /nfs/dbraw/zinc/71/27/69/1317712769.db2.gz PPNWTHIXAPGPDX-RHSMWYFYSA-N 0 3 340.895 3.361 20 10 EGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC(=O)NCCc2ccccc2)c1[O-] ZINC000808710925 1317719975 /nfs/dbraw/zinc/71/99/75/1317719975.db2.gz QNMRZIWEPKAZDI-CQSZACIVSA-N 0 3 346.858 3.364 20 10 EGCDHN O=C1Nc2ccccc2C[C@H]1NCc1ccc(N2CCCCC2)cc1 ZINC000858281766 1328728561 /nfs/dbraw/zinc/72/85/61/1328728561.db2.gz XRQIILQMQZLAAX-HXUWFJFHSA-N 0 3 335.451 3.330 20 10 EGCDHN NC(=O)Cc1ccc(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])cc1 ZINC000810157585 1317965194 /nfs/dbraw/zinc/96/51/94/1317965194.db2.gz ATWDNKFBPWSGIG-UHFFFAOYSA-N 0 3 346.430 3.377 20 10 EGCDHN CCOc1ccc(C[NH2+][C@@H]2CCN(c3ccccc3F)C2)c([O-])c1 ZINC000813792321 1318633465 /nfs/dbraw/zinc/63/34/65/1318633465.db2.gz WCZRZQWNLNIOSY-OAHLLOKOSA-N 0 3 330.403 3.299 20 10 EGCDHN Cc1cc(CN2CCCC[C@@H]2COC(=O)NC2CC2)ccc1N(C)C ZINC000815121278 1318899025 /nfs/dbraw/zinc/89/90/25/1318899025.db2.gz YZHOLXDNABKGTH-GOSISDBHSA-N 0 3 345.487 3.304 20 10 EGCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@H]1COCCO1 ZINC000815561405 1319016692 /nfs/dbraw/zinc/01/66/92/1319016692.db2.gz GGVMIMHISVBEIJ-HKUYNNGSSA-N 0 3 327.424 3.071 20 10 EGCDHN COC(=O)N1CC([NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])C1 ZINC000815597456 1319024230 /nfs/dbraw/zinc/02/42/30/1319024230.db2.gz WJKBDFHCYSAIQF-GOSISDBHSA-N 0 3 340.423 3.106 20 10 EGCDHN C[C@H]1CN(CCC[NH2+]Cc2ccc3ccccc3c2[O-])CCCO1 ZINC000816592584 1319190374 /nfs/dbraw/zinc/19/03/74/1319190374.db2.gz OBLRDDHYRQDEMZ-INIZCTEOSA-N 0 3 328.456 3.136 20 10 EGCDHN CN(Cc1ccc(N2CCN(C)CC2)cc1)Cc1c(F)cccc1F ZINC000816651364 1319201471 /nfs/dbraw/zinc/20/14/71/1319201471.db2.gz DQHRUJQWNSWRAR-UHFFFAOYSA-N 0 3 345.437 3.349 20 10 EGCDHN CO[C@H](C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])C1CC1 ZINC000816651798 1319201679 /nfs/dbraw/zinc/20/16/79/1319201679.db2.gz QCDVAYDLOWBUJW-HXUWFJFHSA-N 0 3 327.424 3.486 20 10 EGCDHN Cc1c([C@H](C)NCCc2ccc(N)cc2)nnn1-c1ccc(C)cc1 ZINC000817956404 1319476880 /nfs/dbraw/zinc/47/68/80/1319476880.db2.gz YIEDRHPVCPVOMI-HNNXBMFYSA-N 0 3 335.455 3.360 20 10 EGCDHN COC[C@]1(CN[C@@H](C)c2cc(Cl)c(Cl)cc2[O-])CCC[NH2+]1 ZINC000817975483 1319482496 /nfs/dbraw/zinc/48/24/96/1319482496.db2.gz VKCNIKMMAMAAPS-ZUZCIYMTSA-N 0 3 333.259 3.118 20 10 EGCDHN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000822507913 1320090218 /nfs/dbraw/zinc/09/02/18/1320090218.db2.gz KSKXIEJVBXWRRU-HUUCEWRRSA-N 0 3 338.423 3.457 20 10 EGCDHN CCC[C@H](C[NH2+]Cc1cc(Br)cc(OC)c1[O-])OC ZINC000824544043 1320263841 /nfs/dbraw/zinc/26/38/41/1320263841.db2.gz SMCREDMTZDJXGM-GFCCVEGCSA-N 0 3 332.238 3.068 20 10 EGCDHN COc1ccc(N2CCC(N[C@H]3C[C@@H](C)n4ccnc43)CC2)cc1 ZINC000825016719 1320304328 /nfs/dbraw/zinc/30/43/28/1320304328.db2.gz GXHCEHGEADZBMW-KDOFPFPSSA-N 0 3 326.444 3.156 20 10 EGCDHN COc1ccc(C[NH2+]Cc2cncc(Br)c2C)c([O-])c1 ZINC000825753651 1320360343 /nfs/dbraw/zinc/36/03/43/1320360343.db2.gz SYUNIHMNTUYJER-UHFFFAOYSA-N 0 3 337.217 3.157 20 10 EGCDHN O=C1CC[C@H]2C[N@H+](Cc3cc(-c4ccccc4)ccc3[O-])CC[C@H]2N1 ZINC000827140153 1320429757 /nfs/dbraw/zinc/42/97/57/1320429757.db2.gz IJZAATKSLBWYNJ-PKOBYXMFSA-N 0 3 336.435 3.160 20 10 EGCDHN O=C1CC[C@H]2C[N@@H+](Cc3cc(-c4ccccc4)ccc3[O-])CC[C@H]2N1 ZINC000827140153 1320429759 /nfs/dbraw/zinc/42/97/59/1320429759.db2.gz IJZAATKSLBWYNJ-PKOBYXMFSA-N 0 3 336.435 3.160 20 10 EGCDHN Cc1cc(C)c([C@H](C)[NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)c([O-])c1 ZINC000840795864 1321150089 /nfs/dbraw/zinc/15/00/89/1321150089.db2.gz BXXKURFMDIEYEO-RDJZCZTQSA-N 0 3 349.471 3.075 20 10 EGCDHN CN(C)c1ccc([C@@H]([NH3+])CNCc2c([O-])ccc(Cl)c2F)cc1 ZINC000841041932 1321207870 /nfs/dbraw/zinc/20/78/70/1321207870.db2.gz IJXNKFHJFHHULP-HNNXBMFYSA-N 0 3 337.826 3.040 20 10 EGCDHN Cc1cc([O-])c(CN2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)c(Cl)c1 ZINC000841103706 1321219059 /nfs/dbraw/zinc/21/90/59/1321219059.db2.gz ITBLVVCWRYIZEG-SUMWQHHRSA-N 0 3 334.822 3.420 20 10 EGCDHN CSc1ccc([C@H](CNC(=O)Nc2ccc(N)cc2)N(C)C)cc1 ZINC000841299421 1321249445 /nfs/dbraw/zinc/24/94/45/1321249445.db2.gz KKNKQPKXSUSKBW-KRWDZBQOSA-N 0 3 344.484 3.415 20 10 EGCDHN CCOc1ccc(C[NH2+][C@H](CC)C(=O)NCc2cccs2)c([O-])c1 ZINC000842749609 1321427610 /nfs/dbraw/zinc/42/76/10/1321427610.db2.gz DKZVZYBOMJAKPF-MRXNPFEDSA-N 0 3 348.468 3.037 20 10 EGCDHN COC(=O)/C=C\c1ccc(CN[C@H](C)c2cc(OC)ccc2O)o1 ZINC000848910862 1322043706 /nfs/dbraw/zinc/04/37/06/1322043706.db2.gz AHIMXAKZSZLLPC-ZVTBTPLYSA-N 0 3 331.368 3.031 20 10 EGCDHN COc1cc(CNCc2c(C)nn(C)c2C)c(O)c(C(C)(C)C)c1 ZINC000850103457 1322191930 /nfs/dbraw/zinc/19/19/30/1322191930.db2.gz NYJPJEWJCHYEPP-UHFFFAOYSA-N 0 3 331.460 3.338 20 10 EGCDHN CC[C@H]([NH2+][C@@H]1CC(=O)N(c2ccc(OC)cc2)C1)c1ccccc1[O-] ZINC000850516288 1322259813 /nfs/dbraw/zinc/25/98/13/1322259813.db2.gz UMQPCUVCPVFELF-KDOFPFPSSA-N 0 3 340.423 3.247 20 10 EGCDHN COc1cc(N2CCN(CCCC3CCC3)CC2)cc(OC)c1OC ZINC000851936471 1323118173 /nfs/dbraw/zinc/11/81/73/1323118173.db2.gz NVUPQBSVOONKRB-UHFFFAOYSA-N 0 3 348.487 3.415 20 10 EGCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCO[C@@H]1CCOC1 ZINC000927081289 1327850846 /nfs/dbraw/zinc/85/08/46/1327850846.db2.gz OBYFXUNCVIXSGI-UYAOXDASSA-N 0 3 341.451 3.461 20 10 EGCDHN CC1CCN(c2ccc(CNC(=O)CN(C)C3CCC3)cc2)CC1 ZINC000863867855 1329586634 /nfs/dbraw/zinc/58/66/34/1329586634.db2.gz MVKVIEWACRZAGK-UHFFFAOYSA-N 0 3 329.488 3.023 20 10 EGCDHN C[C@@H](NC(=O)NC[C@H](C)N(C)Cc1ccccc1)c1ccccc1O ZINC000868232367 1330263523 /nfs/dbraw/zinc/26/35/23/1330263523.db2.gz ICVCBBKKKWDUHL-JKSUJKDBSA-N 0 3 341.455 3.273 20 10 EGCDHN Cc1ccc(OC(=O)NC2CC[NH+](Cc3ccccc3[O-])CC2)cc1 ZINC001194481209 1368271616 /nfs/dbraw/zinc/27/16/16/1368271616.db2.gz JJGNSFAVXMOUFB-UHFFFAOYSA-N 0 3 340.423 3.454 20 10 EGCDHN COc1cc(CN(C)Cc2ccc(N(C)C)cc2)ccc1OC(C)=O ZINC001203834258 1370283396 /nfs/dbraw/zinc/28/33/96/1370283396.db2.gz CRNQHFXQPNNOAA-UHFFFAOYSA-N 0 3 342.439 3.319 20 10 EGCDHN CCN(CC)c1ccc(CN2C[C@H](CO)[C@@H](C(F)(F)F)C2)cc1 ZINC001203940700 1370323283 /nfs/dbraw/zinc/32/32/83/1370323283.db2.gz VVXXACXQKHXIRA-ZBFHGGJFSA-N 0 3 330.394 3.135 20 10 EGCDHN [O-]c1cc(O)ccc1C[N@@H+]1C[C@H]2CCC[C@@]2(COc2ccccn2)C1 ZINC001204273558 1370427814 /nfs/dbraw/zinc/42/78/14/1370427814.db2.gz RFCNMGVZNRCECC-UZLBHIALSA-N 0 3 340.423 3.174 20 10 EGCDHN [O-]c1cc(O)ccc1C[N@H+]1C[C@H]2CCC[C@@]2(COc2ccccn2)C1 ZINC001204273558 1370427820 /nfs/dbraw/zinc/42/78/20/1370427820.db2.gz RFCNMGVZNRCECC-UZLBHIALSA-N 0 3 340.423 3.174 20 10 EGCDHN C[C@H]1CC[NH2+]CC[C@@H]1Oc1c(O)c([O-])ccc1C(=O)c1ccccc1 ZINC001218025253 1373541101 /nfs/dbraw/zinc/54/11/01/1373541101.db2.gz RXUKHQQZKOQFKQ-GUYCJALGSA-N 0 3 341.407 3.096 20 10 EGCDHN COC[C@@H]1CCCCN1Cc1c(Br)ccc(OC)c1O ZINC001231550609 1376261291 /nfs/dbraw/zinc/26/12/91/1376261291.db2.gz NGEIWAJYZGUXIL-NSHDSACASA-N 0 3 344.249 3.164 20 10 EGCDHN COCCCOc1cc(C[N@H+](C)Cc2ccccc2[O-])ccc1OC ZINC001231610075 1376281258 /nfs/dbraw/zinc/28/12/58/1376281258.db2.gz VATKUAWXVKPGCQ-UHFFFAOYSA-N 0 3 345.439 3.448 20 10 EGCDHN COCCCOc1cc(C[N@@H+](C)Cc2ccccc2[O-])ccc1OC ZINC001231610075 1376281273 /nfs/dbraw/zinc/28/12/73/1376281273.db2.gz VATKUAWXVKPGCQ-UHFFFAOYSA-N 0 3 345.439 3.448 20 10 EGCDHN COc1cc(CN2CCC(Oc3cccc(C)c3)CC2)c(O)cc1O ZINC001231637439 1376289309 /nfs/dbraw/zinc/28/93/09/1376289309.db2.gz MQBWQJDICZZBDD-UHFFFAOYSA-N 0 3 343.423 3.458 20 10 EGCDHN [O-]c1ccc2cc(Br)ccc2c1C[NH+]1CC(C2COC2)C1 ZINC001233193718 1376584085 /nfs/dbraw/zinc/58/40/85/1376584085.db2.gz DJWBILAVPXUHKV-UHFFFAOYSA-N 0 3 348.240 3.386 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+](C)C[C@@H]2Cc3ccccc3O2)c1[O-] ZINC001233291306 1376606402 /nfs/dbraw/zinc/60/64/02/1376606402.db2.gz VQPQGXYJLRAUGE-HNNXBMFYSA-N 0 3 333.815 3.490 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+](C)C[C@@H]2Cc3ccccc3O2)c1[O-] ZINC001233291306 1376606405 /nfs/dbraw/zinc/60/64/05/1376606405.db2.gz VQPQGXYJLRAUGE-HNNXBMFYSA-N 0 3 333.815 3.490 20 10 EGCDHN CN(Cc1ccc(Br)cc1)Cc1cc(O)c(O)cc1O ZINC001233485171 1376653554 /nfs/dbraw/zinc/65/35/54/1376653554.db2.gz LLGORPNUDNVASV-UHFFFAOYSA-N 0 3 338.201 3.198 20 10 EGCDHN Cc1nccnc1O[C@H]1CC[N@@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237050937 1376972056 /nfs/dbraw/zinc/97/20/56/1376972056.db2.gz FYIYWWPCDRLEDP-KRWDZBQOSA-N 0 3 327.428 3.267 20 10 EGCDHN Cc1nccnc1O[C@H]1CC[N@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237050937 1376972060 /nfs/dbraw/zinc/97/20/60/1376972060.db2.gz FYIYWWPCDRLEDP-KRWDZBQOSA-N 0 3 327.428 3.267 20 10 EGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC001237054235 1376972341 /nfs/dbraw/zinc/97/23/41/1376972341.db2.gz XGOGDHFWLQJSET-MRXNPFEDSA-N 0 3 345.361 3.336 20 10 EGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC001237054235 1376972345 /nfs/dbraw/zinc/97/23/45/1376972345.db2.gz XGOGDHFWLQJSET-MRXNPFEDSA-N 0 3 345.361 3.336 20 10 EGCDHN Cc1cncnc1O[C@@H]1CC[N@@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237051580 1376972443 /nfs/dbraw/zinc/97/24/43/1376972443.db2.gz OMSJPSKXEZZXCU-QGZVFWFLSA-N 0 3 327.428 3.267 20 10 EGCDHN Cc1cncnc1O[C@@H]1CC[N@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237051580 1376972450 /nfs/dbraw/zinc/97/24/50/1376972450.db2.gz OMSJPSKXEZZXCU-QGZVFWFLSA-N 0 3 327.428 3.267 20 10 EGCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@](C)(CO)CC2)cc1Br ZINC001237676303 1376982320 /nfs/dbraw/zinc/98/23/20/1376982320.db2.gz IAKCONATPUBPJT-MRXNPFEDSA-N 0 3 342.277 3.448 20 10 EGCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@](C)(CO)CC2)cc1Br ZINC001237676303 1376982326 /nfs/dbraw/zinc/98/23/26/1376982326.db2.gz IAKCONATPUBPJT-MRXNPFEDSA-N 0 3 342.277 3.448 20 10 EGCDHN CN(Cc1ccc2c(c1)CCCN2C)Cc1ccc2c(c1)OCCO2 ZINC001138354320 1377708226 /nfs/dbraw/zinc/70/82/26/1377708226.db2.gz FCCUEEDNRBNLCT-UHFFFAOYSA-N 0 3 338.451 3.472 20 10 EGCDHN CN1CCCc2cc(CN3CCC[C@](O)(C(F)(F)F)CC3)ccc21 ZINC001138354217 1377708753 /nfs/dbraw/zinc/70/87/53/1377708753.db2.gz BDRUXPNBYVGJTD-QGZVFWFLSA-N 0 3 342.405 3.348 20 10 EGCDHN CC1(C)[N@H+](Cc2cc(F)ccc2[O-])CC[C@]12C(=O)Oc1ccccc12 ZINC001140060133 1377998583 /nfs/dbraw/zinc/99/85/83/1377998583.db2.gz LXPPCTFPQKVRJY-FQEVSTJZSA-N 0 3 341.382 3.373 20 10 EGCDHN CC1(C)[N@@H+](Cc2cc(F)ccc2[O-])CC[C@]12C(=O)Oc1ccccc12 ZINC001140060133 1377998584 /nfs/dbraw/zinc/99/85/84/1377998584.db2.gz LXPPCTFPQKVRJY-FQEVSTJZSA-N 0 3 341.382 3.373 20 10 EGCDHN CCOC[C@@H]1CN(Cc2c(C)ccc(C)c2O)Cc2c1cnn2CC ZINC001140181985 1378027228 /nfs/dbraw/zinc/02/72/28/1378027228.db2.gz ZDNGDYLGVCOSHB-INIZCTEOSA-N 0 3 343.471 3.361 20 10 EGCDHN Cc1ccc(O)c(CN2CCCC23CN(C(=O)OC(C)(C)C)C3)c1 ZINC001140619884 1378099373 /nfs/dbraw/zinc/09/93/73/1378099373.db2.gz TUTJJYQZPQMBLQ-UHFFFAOYSA-N 0 3 332.444 3.286 20 10 EGCDHN Cc1c(O)ccc(CN2CCN(Cc3ccccc3)C[C@@H]2C)c1O ZINC001140745537 1378128350 /nfs/dbraw/zinc/12/83/50/1378128350.db2.gz KCYJEQKJCNDUQI-HNNXBMFYSA-N 0 3 326.440 3.113 20 10 EGCDHN CC(=O)N1CCCC[C@@]12CCN(Cc1ccc(N(C)C)cc1Cl)C2 ZINC001140925017 1378182157 /nfs/dbraw/zinc/18/21/57/1378182157.db2.gz YERZQVNEOUGVAY-IBGZPJMESA-N 0 3 349.906 3.383 20 10 EGCDHN Cc1ccc(C[N@@H+]2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)c([O-])c1 ZINC001140950651 1378190610 /nfs/dbraw/zinc/19/06/10/1378190610.db2.gz AOJIGUDINLMBCI-NVXWUHKLSA-N 0 3 346.471 3.389 20 10 EGCDHN Cc1ccc(C[N@H+]2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)c([O-])c1 ZINC001140950651 1378190612 /nfs/dbraw/zinc/19/06/12/1378190612.db2.gz AOJIGUDINLMBCI-NVXWUHKLSA-N 0 3 346.471 3.389 20 10 EGCDHN COc1ccc(CN[C@H]2C[C@@H](C)c3c2c(O)ccc3C)c(OC)n1 ZINC001327532295 1388553078 /nfs/dbraw/zinc/55/30/78/1388553078.db2.gz JTCZAAPXYUVSOB-OCCSQVGLSA-N 0 3 328.412 3.451 20 10 EGCDHN CC[N@H+](CCN1CCCC1)Cc1cc(Br)c(F)cc1[O-] ZINC001144299565 1378713115 /nfs/dbraw/zinc/71/31/15/1378713115.db2.gz AJLMOOGTLCLULH-UHFFFAOYSA-N 0 3 345.256 3.212 20 10 EGCDHN CC[N@@H+](CCN1CCCC1)Cc1cc(Br)c(F)cc1[O-] ZINC001144299565 1378713119 /nfs/dbraw/zinc/71/31/19/1378713119.db2.gz AJLMOOGTLCLULH-UHFFFAOYSA-N 0 3 345.256 3.212 20 10 EGCDHN C[C@@H]([NH2+]C1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccccc1[O-] ZINC001172995483 1384896214 /nfs/dbraw/zinc/89/62/14/1384896214.db2.gz NVUMSRXPOULSDV-CQSZACIVSA-N 0 3 342.414 3.487 20 10 EGCDHN CN(C)CCn1cc(Nc2cccc3c2C(=O)c2ccccc2-3)cn1 ZINC001176448928 1385590773 /nfs/dbraw/zinc/59/07/73/1385590773.db2.gz FOWXMOWJLOEQSW-UHFFFAOYSA-N 0 3 332.407 3.400 20 10 EGCDHN CC[C@@H]([NH2+]CCN1C(=O)COc2ccccc21)c1ccc(C)cc1[O-] ZINC001321236378 1386851941 /nfs/dbraw/zinc/85/19/41/1386851941.db2.gz RMRGDVOPFBNSLI-MRXNPFEDSA-N 0 3 340.423 3.167 20 10 EGCDHN C[C@@H](NCc1cc(F)c(N(C)C)cc1F)[C@H](O)c1cccc(F)c1 ZINC001331273041 1389680165 /nfs/dbraw/zinc/68/01/65/1389680165.db2.gz UGOSTYNSRFZDST-ZMZPIMSZSA-N 0 3 338.373 3.382 20 10 EGCDHN C[C@@H]1OCC[C@@]1(O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC001347669059 1391109000 /nfs/dbraw/zinc/10/90/00/1391109000.db2.gz QHKXBXLYVXAIGE-NBHGPNQESA-N 0 3 341.451 3.196 20 10 EGCDHN COCn1ncc(C)c1C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC001351961330 1391725313 /nfs/dbraw/zinc/72/53/13/1391725313.db2.gz PBRWNIBGIQMPFC-UHFFFAOYSA-N 0 3 329.444 3.446 20 10 EGCDHN COCn1ncc(C)c1C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC001351961330 1391725318 /nfs/dbraw/zinc/72/53/18/1391725318.db2.gz PBRWNIBGIQMPFC-UHFFFAOYSA-N 0 3 329.444 3.446 20 10 EGCDHN Nc1ccc(CN2CCCC[C@H]2CNC(=O)Nc2ccccc2)cc1 ZINC001352790117 1391849717 /nfs/dbraw/zinc/84/97/17/1391849717.db2.gz OTVGTPPHRLCDBC-IBGZPJMESA-N 0 3 338.455 3.445 20 10 EGCDHN COc1ccc(CNC/C=C/CNC(=O)[C@H]2CCCC23CC3)cc1C ZINC001754139147 1440544025 /nfs/dbraw/zinc/54/40/25/1440544025.db2.gz WYPGVDUETLQQEU-OAJJDEHYSA-N 0 3 342.483 3.346 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+](C)CCCn2ccnc2)c1[O-] ZINC000290501730 456345806 /nfs/dbraw/zinc/34/58/06/456345806.db2.gz PFIFXXKMOVGYHH-UHFFFAOYSA-N 0 3 338.249 3.182 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+](C)CCCn2ccnc2)c1[O-] ZINC000290501730 456345812 /nfs/dbraw/zinc/34/58/12/456345812.db2.gz PFIFXXKMOVGYHH-UHFFFAOYSA-N 0 3 338.249 3.182 20 10 EGCDHN C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2cc(Br)ccc2[O-])C1 ZINC000368131637 458014679 /nfs/dbraw/zinc/01/46/79/458014679.db2.gz AXWPYUDAGGQHLK-WFASDCNBSA-N 0 3 339.277 3.071 20 10 EGCDHN C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2cc(Br)ccc2[O-])C1 ZINC000368131637 458014696 /nfs/dbraw/zinc/01/46/96/458014696.db2.gz AXWPYUDAGGQHLK-WFASDCNBSA-N 0 3 339.277 3.071 20 10 EGCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)c1cccc(Br)c1 ZINC000264595463 455244600 /nfs/dbraw/zinc/24/46/00/455244600.db2.gz HYBXFGGMTQAQOH-INIZCTEOSA-N 0 3 336.229 3.320 20 10 EGCDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)c1cccc(Br)c1 ZINC000264595463 455244602 /nfs/dbraw/zinc/24/46/02/455244602.db2.gz HYBXFGGMTQAQOH-INIZCTEOSA-N 0 3 336.229 3.320 20 10 EGCDHN [O-]c1ccccc1C[N@H+](C[C@H](O)c1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000264741225 455274261 /nfs/dbraw/zinc/27/42/61/455274261.db2.gz UATRPMUFHKBMBB-ICSRJNTNSA-N 0 3 345.414 3.246 20 10 EGCDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)c1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000264741225 455274262 /nfs/dbraw/zinc/27/42/62/455274262.db2.gz UATRPMUFHKBMBB-ICSRJNTNSA-N 0 3 345.414 3.246 20 10 EGCDHN CCN(CC)c1ccc(CNCc2ccc(Cn3cncn3)cc2)cc1 ZINC000075756459 453924277 /nfs/dbraw/zinc/92/42/77/453924277.db2.gz UACPVXWLJSOSMU-UHFFFAOYSA-N 0 3 349.482 3.462 20 10 EGCDHN CCS(=O)(=O)c1ccc([C@@H](C)NCc2cc(OC)ccc2O)cc1 ZINC000089725998 454183954 /nfs/dbraw/zinc/18/39/54/454183954.db2.gz BFUUANHUSWCRIB-CYBMUJFWSA-N 0 3 349.452 3.045 20 10 EGCDHN C[C@H](NCc1cccc(CS(C)(=O)=O)c1)c1ccc(N(C)C)cc1 ZINC000131579227 454266625 /nfs/dbraw/zinc/26/66/25/454266625.db2.gz LLLOLCKKNUFKCL-HNNXBMFYSA-N 0 3 346.496 3.148 20 10 EGCDHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccc(F)c(F)c1 ZINC000078681640 454298896 /nfs/dbraw/zinc/29/88/96/454298896.db2.gz RHBRMKPMEHYDSD-UHFFFAOYSA-N 0 3 332.394 3.433 20 10 EGCDHN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccc([S@](C)=O)cc1 ZINC000122457028 454535347 /nfs/dbraw/zinc/53/53/47/454535347.db2.gz IFNDGVHDXKFRHI-JCQPUDPBSA-N 0 3 334.460 3.480 20 10 EGCDHN CCOc1cccc(C[NH2+]C[C@H](c2cccc(OC)c2)N(C)C)c1[O-] ZINC000074314400 454561171 /nfs/dbraw/zinc/56/11/71/454561171.db2.gz WVOXGSFCKNXWLT-GOSISDBHSA-N 0 3 344.455 3.192 20 10 EGCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)cc1C(C)C ZINC000050900629 454601699 /nfs/dbraw/zinc/60/16/99/454601699.db2.gz OTRCGAJHPXJTBE-HNNXBMFYSA-N 0 3 330.472 3.315 20 10 EGCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H](C(=O)NC3CC3)C2)cc1C(C)C ZINC000050900629 454601703 /nfs/dbraw/zinc/60/17/03/454601703.db2.gz OTRCGAJHPXJTBE-HNNXBMFYSA-N 0 3 330.472 3.315 20 10 EGCDHN [O-]c1ccccc1C[N@H+](C[C@H](O)c1ccccc1)C[C@@H]1CCCO1 ZINC000111233005 454859199 /nfs/dbraw/zinc/85/91/99/454859199.db2.gz KPSRRIBWILTMJS-ICSRJNTNSA-N 0 3 327.424 3.107 20 10 EGCDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)c1ccccc1)C[C@@H]1CCCO1 ZINC000111233005 454859203 /nfs/dbraw/zinc/85/92/03/454859203.db2.gz KPSRRIBWILTMJS-ICSRJNTNSA-N 0 3 327.424 3.107 20 10 EGCDHN COc1ccc([O-])c(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c1 ZINC000179611344 455061654 /nfs/dbraw/zinc/06/16/54/455061654.db2.gz ZNWRFWZKDBAQNJ-UHFFFAOYSA-N 0 3 340.423 3.252 20 10 EGCDHN Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3cccc(C)c3[O-])C2)nc1 ZINC000179730051 455071758 /nfs/dbraw/zinc/07/17/58/455071758.db2.gz LDHNACLLWVSHKV-KRWDZBQOSA-N 0 3 339.439 3.255 20 10 EGCDHN Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(C)c3[O-])C2)nc1 ZINC000179730051 455071760 /nfs/dbraw/zinc/07/17/60/455071760.db2.gz LDHNACLLWVSHKV-KRWDZBQOSA-N 0 3 339.439 3.255 20 10 EGCDHN CCc1cc(N2CCC[C@@H]([NH2+][C@@H](CC)c3ccccc3[O-])C2)ncn1 ZINC000156548241 455130745 /nfs/dbraw/zinc/13/07/45/455130745.db2.gz JBOWGAJYUAYZDR-AEFFLSMTSA-N 0 3 340.471 3.454 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC(CC(=O)N(C)C)CC2)cc1F ZINC000180325178 455158102 /nfs/dbraw/zinc/15/81/02/455158102.db2.gz ZLXWNFAYECJEBT-UHFFFAOYSA-N 0 3 349.494 3.362 20 10 EGCDHN C[C@H]([NH2+]CCCS(=O)(=O)Cc1ccccc1)c1ccccc1[O-] ZINC000183434076 455292530 /nfs/dbraw/zinc/29/25/30/455292530.db2.gz ZXIWJLJQTBCIAR-HNNXBMFYSA-N 0 3 333.453 3.048 20 10 EGCDHN C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1[O-] ZINC000183442375 455293703 /nfs/dbraw/zinc/29/37/03/455293703.db2.gz VIWDCOOQTBAHLU-AWEZNQCLSA-N 0 3 344.430 3.343 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC2(N3CCOCC3)CCCCC2)c1 ZINC000184858496 455462016 /nfs/dbraw/zinc/46/20/16/455462016.db2.gz JDUPOWCPTUHTRI-MRXNPFEDSA-N 0 3 348.487 3.087 20 10 EGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](c2ccccc2)N2CCOCC2)c1 ZINC000184919135 455472360 /nfs/dbraw/zinc/47/23/60/455472360.db2.gz WJOPDPOAIWBJPH-YLJYHZDGSA-N 0 3 340.467 3.425 20 10 EGCDHN COc1ccc(OC)c([C@@H](O)C[NH2+][C@@H](C)c2ccc(C)cc2[O-])c1 ZINC000184946708 455476640 /nfs/dbraw/zinc/47/66/40/455476640.db2.gz GTVZSAKBAFLYHZ-UGSOOPFHSA-N 0 3 331.412 3.102 20 10 EGCDHN CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2cc(C)ccc2[O-])cc1 ZINC000185122750 455506488 /nfs/dbraw/zinc/50/64/88/455506488.db2.gz JKQYXPODRZXPSF-KBPBESRZSA-N 0 3 348.468 3.021 20 10 EGCDHN CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000185195936 455519977 /nfs/dbraw/zinc/51/99/77/455519977.db2.gz AEQSLEBABOFCKH-INIZCTEOSA-N 0 3 326.440 3.400 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCc2ccc(OCC3CC3)nc2)c1 ZINC000185261898 455530886 /nfs/dbraw/zinc/53/08/86/455530886.db2.gz SBHUTQSDSCRFDE-ZDUSSCGKSA-N 0 3 328.412 3.435 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccccc2CS(C)(=O)=O)c([O-])c1 ZINC000185650113 455589768 /nfs/dbraw/zinc/58/97/68/455589768.db2.gz VGXFZGQXODXYOR-AWEZNQCLSA-N 0 3 333.453 3.096 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCCNC(=O)c2ccc(F)cc2)c1 ZINC000186013545 455674704 /nfs/dbraw/zinc/67/47/04/455674704.db2.gz FBVUMOSWQSRPTM-ZDUSSCGKSA-N 0 3 346.402 3.011 20 10 EGCDHN CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3[O-])C2)C1 ZINC000284396157 455679120 /nfs/dbraw/zinc/67/91/20/455679120.db2.gz PMIMCMAOONBKSH-LJQANCHMSA-N 0 3 332.444 3.225 20 10 EGCDHN CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3[O-])C2)C1 ZINC000284396157 455679125 /nfs/dbraw/zinc/67/91/25/455679125.db2.gz PMIMCMAOONBKSH-LJQANCHMSA-N 0 3 332.444 3.225 20 10 EGCDHN CCCOc1ccc(C[NH2+][C@H]2CCO[C@@H]2c2cccnc2)c([O-])c1 ZINC000284403895 455680679 /nfs/dbraw/zinc/68/06/79/455680679.db2.gz BAWFQSYCBPUCEZ-PKOBYXMFSA-N 0 3 328.412 3.196 20 10 EGCDHN CC[C@@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1ccccc1[O-] ZINC000186117744 455696712 /nfs/dbraw/zinc/69/67/12/455696712.db2.gz GABWUWAJVOWHRW-LJQANCHMSA-N 0 3 325.456 3.493 20 10 EGCDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)ccc2[O-])[C@@H]1Oc1ccccc1 ZINC000186275907 455730615 /nfs/dbraw/zinc/73/06/15/455730615.db2.gz YXAAUUOPCRTQFR-RLLQIKCJSA-N 0 3 343.423 3.115 20 10 EGCDHN C[C@@H](NCCCS(C)(=O)=O)c1ccc(N2CCCCCC2)cc1 ZINC000268947379 455740071 /nfs/dbraw/zinc/74/00/71/455740071.db2.gz WYQXTNSZWWWHTD-MRXNPFEDSA-N 0 3 338.517 3.152 20 10 EGCDHN COc1cc([O-])c(C[NH+]2CCC(c3ccc(O)cc3)CC2)cc1OC ZINC000271790245 455760895 /nfs/dbraw/zinc/76/08/95/455760895.db2.gz IWPYACYOBIOJPH-UHFFFAOYSA-N 0 3 343.423 3.495 20 10 EGCDHN Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1[O-] ZINC000271841924 455783457 /nfs/dbraw/zinc/78/34/57/455783457.db2.gz QKZJUVZRFGPSED-GOEBONIOSA-N 0 3 334.460 3.436 20 10 EGCDHN Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1[O-] ZINC000271841924 455783459 /nfs/dbraw/zinc/78/34/59/455783459.db2.gz QKZJUVZRFGPSED-GOEBONIOSA-N 0 3 334.460 3.436 20 10 EGCDHN COCC[C@@](C)(O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000293600911 455792458 /nfs/dbraw/zinc/79/24/58/455792458.db2.gz GAUMSKWCUIIYAI-TZIWHRDSSA-N 0 3 343.467 3.443 20 10 EGCDHN COC[C@H](C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-])OC ZINC000294360309 455812396 /nfs/dbraw/zinc/81/23/96/455812396.db2.gz QJBHEDAQDJFSPX-HKUYNNGSSA-N 0 3 329.440 3.317 20 10 EGCDHN CCC[C@@](C)(N)C(=O)N(CC)Cc1cc(Br)ccc1O ZINC000269241865 455819007 /nfs/dbraw/zinc/81/90/07/455819007.db2.gz NTBJOBQYCJMMCA-OAHLLOKOSA-N 0 3 343.265 3.021 20 10 EGCDHN COC(=O)Nc1cccc(CNCc2ccc(N(C)C)c(F)c2)c1 ZINC000285365406 455831545 /nfs/dbraw/zinc/83/15/45/455831545.db2.gz BTRDGTBAGMQDME-UHFFFAOYSA-N 0 3 331.391 3.360 20 10 EGCDHN COc1c([O-])c(CNc2ccccc2CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000278460129 455836392 /nfs/dbraw/zinc/83/63/92/455836392.db2.gz ZROUGNAQOCZJNC-UHFFFAOYSA-N 0 3 345.399 3.025 20 10 EGCDHN [O-]c1cccc2c1[C@@H]([NH2+]Cc1cccc(CN3CCOCC3)c1)CC2 ZINC000296189334 455875815 /nfs/dbraw/zinc/87/58/15/455875815.db2.gz YLQJRVPOAAOJJZ-IBGZPJMESA-N 0 3 338.451 3.002 20 10 EGCDHN CC[C@@H]([NH2+]Cc1cc(F)ccc1[O-])[C@@H](O)c1c(F)cccc1F ZINC000272251340 455892512 /nfs/dbraw/zinc/89/25/12/455892512.db2.gz CBKZQWLQXWICKH-RHSMWYFYSA-N 0 3 325.330 3.411 20 10 EGCDHN O=C1[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCCN1C1CCCCC1 ZINC000296349123 455915635 /nfs/dbraw/zinc/91/56/35/455915635.db2.gz HIVOFBKOXKYUGH-IRXDYDNUSA-N 0 3 328.456 3.293 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000187986510 455976501 /nfs/dbraw/zinc/97/65/01/455976501.db2.gz JGRZIENFMRXTER-WMZOPIPTSA-N 0 3 327.424 3.222 20 10 EGCDHN O=C(CCC[NH2+][C@H]1CCc2cccc([O-])c21)N1CCc2ccccc21 ZINC000296675988 456007994 /nfs/dbraw/zinc/00/79/94/456007994.db2.gz GERJRGGKMTTWMM-KRWDZBQOSA-N 0 3 336.435 3.339 20 10 EGCDHN O=C(CCC[NH2+][C@@H]1CCc2cccc([O-])c21)N1Cc2ccccc2C1 ZINC000296699032 456012369 /nfs/dbraw/zinc/01/23/69/456012369.db2.gz HPAOTVFGTYSJIM-GOSISDBHSA-N 0 3 336.435 3.292 20 10 EGCDHN Cc1ccc([C@@H](C)NCc2ccncc2OC[C@@H]2CCOC2)c(O)c1 ZINC000287381934 456068511 /nfs/dbraw/zinc/06/85/11/456068511.db2.gz PNBVALBZIWMOIF-HZPDHXFCSA-N 0 3 342.439 3.362 20 10 EGCDHN CN(C(=O)[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1)c1ccccc1 ZINC000280903992 456077752 /nfs/dbraw/zinc/07/77/52/456077752.db2.gz FQADEUDSEGWPNH-CQSZACIVSA-N 0 3 328.387 3.016 20 10 EGCDHN CN(C(=O)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1)c1ccccc1 ZINC000280903992 456077758 /nfs/dbraw/zinc/07/77/58/456077758.db2.gz FQADEUDSEGWPNH-CQSZACIVSA-N 0 3 328.387 3.016 20 10 EGCDHN CC(=O)Nc1cccc(OCC[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000296989397 456085868 /nfs/dbraw/zinc/08/58/68/456085868.db2.gz SFUHWUYBCDDOEN-QGZVFWFLSA-N 0 3 326.396 3.007 20 10 EGCDHN COc1cccc(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H]2C)c1[O-] ZINC000288443698 456096581 /nfs/dbraw/zinc/09/65/81/456096581.db2.gz MFKIIMWBIIIEGA-QAPCUYQASA-N 0 3 326.440 3.153 20 10 EGCDHN CC(C)[NH+]1CCC(N(C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000271050141 456113146 /nfs/dbraw/zinc/11/31/46/456113146.db2.gz UZGNSLUHKCPJGW-UHFFFAOYSA-N 0 3 341.839 3.258 20 10 EGCDHN CN(C)c1ccc(CN2CCC(CC(=O)N3CCCC3)CC2)cc1F ZINC000271125691 456133526 /nfs/dbraw/zinc/13/35/26/456133526.db2.gz KMNSFVZJMFUSIP-UHFFFAOYSA-N 0 3 347.478 3.116 20 10 EGCDHN CCCOc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c([O-])c1 ZINC000289842872 456152587 /nfs/dbraw/zinc/15/25/87/456152587.db2.gz URFDHICOBAIFDZ-ZFWWWQNUSA-N 0 3 347.377 3.174 20 10 EGCDHN CCCOc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c([O-])c1 ZINC000289842872 456152591 /nfs/dbraw/zinc/15/25/91/456152591.db2.gz URFDHICOBAIFDZ-ZFWWWQNUSA-N 0 3 347.377 3.174 20 10 EGCDHN CN(C)c1ccc(CN2CCC[C@H](c3noc(C4CC4)n3)C2)cc1 ZINC000271210207 456175329 /nfs/dbraw/zinc/17/53/29/456175329.db2.gz LMMAONHFPOZDJG-INIZCTEOSA-N 0 3 326.444 3.393 20 10 EGCDHN CCOc1cccc(CN2CCC[C@@H](c3noc(C4CC4)n3)C2)c1O ZINC000271242124 456188592 /nfs/dbraw/zinc/18/85/92/456188592.db2.gz YXRFSEQLKOZRDV-OAHLLOKOSA-N 0 3 343.427 3.431 20 10 EGCDHN CC[C@]1(C[NH2+]Cc2cccc(OC)c2[O-])OCCc2ccccc21 ZINC000289996021 456210113 /nfs/dbraw/zinc/21/01/13/456210113.db2.gz XVUOZADJGXJCTH-HXUWFJFHSA-N 0 3 327.424 3.369 20 10 EGCDHN COc1cccc(C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)c1[O-] ZINC000271305790 456213461 /nfs/dbraw/zinc/21/34/61/456213461.db2.gz VPXJFKLFFBREAC-UHFFFAOYSA-N 0 3 335.444 3.391 20 10 EGCDHN [O-]c1cc2c(cc1C[NH2+][C@H]1CCO[C@@H](c3ccc(F)cc3)C1)OCO2 ZINC000273481051 456233243 /nfs/dbraw/zinc/23/32/43/456233243.db2.gz LGJJPHMWPWZWIH-DOTOQJQBSA-N 0 3 345.370 3.270 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)CC(=O)N3C)c1 ZINC000273624097 456242198 /nfs/dbraw/zinc/24/21/98/456242198.db2.gz ZVGCAPMNSIIUPA-QWHCGFSZSA-N 0 3 340.423 3.332 20 10 EGCDHN CCOCCCN1CC[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)[C@H](C)C1 ZINC000297549393 456249184 /nfs/dbraw/zinc/24/91/84/456249184.db2.gz FOGDUNIPKURBRW-NJAFHUGGSA-N 0 3 332.488 3.106 20 10 EGCDHN COc1ccc2c(c1)[C@@H](NCc1cc(OC)c(OC)cc1O)CCO2 ZINC000274375975 456257660 /nfs/dbraw/zinc/25/76/60/456257660.db2.gz FEIONEZAESYXOZ-HNNXBMFYSA-N 0 3 345.395 3.031 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCc2cnn(C)c2)c1[O-] ZINC000275320574 456273077 /nfs/dbraw/zinc/27/30/77/456273077.db2.gz KZFYXWDKTBRONR-NSHDSACASA-N 0 3 338.249 3.090 20 10 EGCDHN CC[C@H](N[C@@H]1COc2ccccc2[C@H]1O)c1ccc(N(C)C)cc1 ZINC000290295900 456282548 /nfs/dbraw/zinc/28/25/48/456282548.db2.gz NFVQQKUJCPMNBE-NLWGTHIKSA-N 0 3 326.440 3.288 20 10 EGCDHN COc1cccc(C[N@@H+]2CCC[C@H]2Cn2cnc3ccccc32)c1[O-] ZINC000290413026 456320804 /nfs/dbraw/zinc/32/08/04/456320804.db2.gz KEASXTNTRFNUDI-INIZCTEOSA-N 0 3 337.423 3.415 20 10 EGCDHN COc1cccc(C[N@H+]2CCC[C@H]2Cn2cnc3ccccc32)c1[O-] ZINC000290413026 456320808 /nfs/dbraw/zinc/32/08/08/456320808.db2.gz KEASXTNTRFNUDI-INIZCTEOSA-N 0 3 337.423 3.415 20 10 EGCDHN Cc1ccc(O)c(CNCc2ccc(S(C)(=O)=O)c(Cl)c2)c1 ZINC000276971442 456637123 /nfs/dbraw/zinc/63/71/23/456637123.db2.gz FMRVUDGEVUOZQM-UHFFFAOYSA-N 0 3 339.844 3.047 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)c1[O-] ZINC000291626360 456699277 /nfs/dbraw/zinc/69/92/77/456699277.db2.gz RYUYNCIDZZWKML-APWZRJJASA-N 0 3 347.842 3.310 20 10 EGCDHN CCOc1cccc(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1[O-] ZINC000375039275 457767513 /nfs/dbraw/zinc/76/75/13/457767513.db2.gz MPKFCVXPMLTEEW-LJQANCHMSA-N 0 3 331.387 3.024 20 10 EGCDHN CCOc1cccc(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1[O-] ZINC000375039275 457767517 /nfs/dbraw/zinc/76/75/17/457767517.db2.gz MPKFCVXPMLTEEW-LJQANCHMSA-N 0 3 331.387 3.024 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](Cc2ccc(F)cc2)OC)c1 ZINC000528435729 459807030 /nfs/dbraw/zinc/80/70/30/459807030.db2.gz DGGCMPPXRDHJCX-GUYCJALGSA-N 0 3 333.403 3.448 20 10 EGCDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCc2ccccc2O)C1 ZINC000726237803 574546824 /nfs/dbraw/zinc/54/68/24/574546824.db2.gz MVWMLQZOSJLECS-MAUKXSAKSA-N 0 3 339.439 3.027 20 10 EGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1 ZINC000729683585 574879001 /nfs/dbraw/zinc/87/90/01/574879001.db2.gz PESXBIGJRZHQII-WOJBJXKFSA-N 0 3 338.451 3.012 20 10 EGCDHN CC[NH+](CC)CCOc1ccc(CNC(=O)c2cc([O-])cs2)cc1 ZINC000732285092 575255105 /nfs/dbraw/zinc/25/51/05/575255105.db2.gz QTPSUIZUYNXMAQ-UHFFFAOYSA-N 0 3 348.468 3.104 20 10 EGCDHN CCN(CC)C(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cc(C)ccc1[O-] ZINC000733322845 575327559 /nfs/dbraw/zinc/32/75/59/575327559.db2.gz UHTKEOIOWYLMIY-IBGZPJMESA-N 0 3 340.467 3.270 20 10 EGCDHN CCN(CC)C(=O)[C@H](Cc1ccccc1)NCc1cc(C)ccc1O ZINC000733322845 575327561 /nfs/dbraw/zinc/32/75/61/575327561.db2.gz UHTKEOIOWYLMIY-IBGZPJMESA-N 0 3 340.467 3.270 20 10 EGCDHN Cc1ccc([O-])c(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1 ZINC000734844160 575559410 /nfs/dbraw/zinc/55/94/10/575559410.db2.gz WUIKZQRAANNNLK-DOTOQJQBSA-N 0 3 339.357 3.325 20 10 EGCDHN CCN(C)c1ccc(CN2CCC[C@@H](CNC(=O)C(C)C)C2)cc1 ZINC000741753790 576717100 /nfs/dbraw/zinc/71/71/00/576717100.db2.gz BPSOFHRYKXLVHW-SFHVURJKSA-N 0 3 331.504 3.127 20 10 EGCDHN CC[C@@H]([NH2+]Cc1cccc(-c2nnn[n-]2)c1)c1ccc(N(C)C)cc1 ZINC000820926345 606996548 /nfs/dbraw/zinc/99/65/48/606996548.db2.gz RJPNRLOYHKQBCQ-GOSISDBHSA-N 0 3 336.443 3.174 20 10 EGCDHN CC[C@@H]([NH2+]Cc1cccc(-c2nn[n-]n2)c1)c1ccc(N(C)C)cc1 ZINC000820926345 606996550 /nfs/dbraw/zinc/99/65/50/606996550.db2.gz RJPNRLOYHKQBCQ-GOSISDBHSA-N 0 3 336.443 3.174 20 10 EGCDHN CN(C)c1ccc(C[NH2+][C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC000825878750 608496787 /nfs/dbraw/zinc/49/67/87/608496787.db2.gz DGKKHOFSTZAYQE-IBGZPJMESA-N 0 3 348.454 3.100 20 10 EGCDHN CN(C)c1ccc(C[NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC000825878750 608496788 /nfs/dbraw/zinc/49/67/88/608496788.db2.gz DGKKHOFSTZAYQE-IBGZPJMESA-N 0 3 348.454 3.100 20 10 EGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@@H](CCC(N)=O)C3)c2c1 ZINC000066080513 1292107248 /nfs/dbraw/zinc/10/72/48/1292107248.db2.gz YVTWEKPJJJBSID-AWEZNQCLSA-N 0 3 342.439 3.032 20 10 EGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@@H](CCC(N)=O)C3)c2c1 ZINC000066080513 1292107254 /nfs/dbraw/zinc/10/72/54/1292107254.db2.gz YVTWEKPJJJBSID-AWEZNQCLSA-N 0 3 342.439 3.032 20 10 EGCDHN C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@@H]1COCCO1 ZINC000828563961 1292474777 /nfs/dbraw/zinc/47/47/77/1292474777.db2.gz KGBCTUOADSAIGC-QFBILLFUSA-N 0 3 327.424 3.371 20 10 EGCDHN C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@@H]1COCCO1 ZINC000828563961 1292474780 /nfs/dbraw/zinc/47/47/80/1292474780.db2.gz KGBCTUOADSAIGC-QFBILLFUSA-N 0 3 327.424 3.371 20 10 EGCDHN COCCN(Cc1ccc2c(c1)OCO2)Cc1cc(C)ccc1O ZINC000093358337 1292918892 /nfs/dbraw/zinc/91/88/92/1292918892.db2.gz SOBCKRLMCMYDSB-UHFFFAOYSA-N 0 3 329.396 3.078 20 10 EGCDHN COC(=O)[C@H](C)C[N@H+](Cc1c([O-])ccc2ccc(OC)cc21)C1CC1 ZINC000102653042 1292980264 /nfs/dbraw/zinc/98/02/64/1292980264.db2.gz AZOVCIGWNVUSEL-CYBMUJFWSA-N 0 3 343.423 3.328 20 10 EGCDHN COC(=O)[C@H](C)C[N@@H+](Cc1c([O-])ccc2ccc(OC)cc21)C1CC1 ZINC000102653042 1292980272 /nfs/dbraw/zinc/98/02/72/1292980272.db2.gz AZOVCIGWNVUSEL-CYBMUJFWSA-N 0 3 343.423 3.328 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+]Cc2cccc(S(C)(=O)=O)c2)c2c1c(F)ccc2[O-] ZINC000834883408 1293163544 /nfs/dbraw/zinc/16/35/44/1293163544.db2.gz KZNSOUGKRKEQEL-IAQYHMDHSA-N 0 3 349.427 3.273 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+]Cc2cccc(S(C)(=O)=O)c2)c2c1c(F)ccc2[O-] ZINC000834883407 1293163685 /nfs/dbraw/zinc/16/36/85/1293163685.db2.gz KZNSOUGKRKEQEL-ABAIWWIYSA-N 0 3 349.427 3.273 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccnn3C)C2)c2c1c(F)ccc2[O-] ZINC000834900506 1293170274 /nfs/dbraw/zinc/17/02/74/1293170274.db2.gz UEVBKPMFXAYBJL-ALYFQZSWSA-N 0 3 345.418 3.323 20 10 EGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H](O)c1ccccc1Br)CC2 ZINC000834911966 1293175064 /nfs/dbraw/zinc/17/50/64/1293175064.db2.gz VEDOZIUJTLYBEC-ZBFHGGJFSA-N 0 3 348.240 3.465 20 10 EGCDHN Cc1noc(C)c1CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000119333434 1293265005 /nfs/dbraw/zinc/26/50/05/1293265005.db2.gz ITXNZEURXAMUOY-KRWDZBQOSA-N 0 3 330.428 3.221 20 10 EGCDHN Cc1noc(C)c1CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000119333434 1293265010 /nfs/dbraw/zinc/26/50/10/1293265010.db2.gz ITXNZEURXAMUOY-KRWDZBQOSA-N 0 3 330.428 3.221 20 10 EGCDHN CCO[C@@H]1CCCN(Cc2cc(Br)cc(C)c2O)C1 ZINC000124496174 1293477382 /nfs/dbraw/zinc/47/73/82/1293477382.db2.gz BQKMFNWEEIWGJP-CQSZACIVSA-N 0 3 328.250 3.464 20 10 EGCDHN COCCN(Cc1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000160445014 1294267562 /nfs/dbraw/zinc/26/75/62/1294267562.db2.gz ICUWBNUZONDVTI-UHFFFAOYSA-N 0 3 340.467 3.172 20 10 EGCDHN CCOC(=O)C[C@@H]1CCC[N@@H+]1Cc1c([O-])ccc2ccc(OC)cc21 ZINC000165073403 1294355529 /nfs/dbraw/zinc/35/55/29/1294355529.db2.gz HSNQVVPZEKTIGK-HNNXBMFYSA-N 0 3 343.423 3.472 20 10 EGCDHN CCOC(=O)C[C@@H]1CCC[N@H+]1Cc1c([O-])ccc2ccc(OC)cc21 ZINC000165073403 1294355536 /nfs/dbraw/zinc/35/55/36/1294355536.db2.gz HSNQVVPZEKTIGK-HNNXBMFYSA-N 0 3 343.423 3.472 20 10 EGCDHN [O-]c1ccc(F)cc1C[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000180923735 1294924715 /nfs/dbraw/zinc/92/47/15/1294924715.db2.gz WHJBGHQJFQFWEG-UHFFFAOYSA-N 0 3 329.400 3.382 20 10 EGCDHN CC(C)(C)OC(=O)CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000182159636 1295022624 /nfs/dbraw/zinc/02/26/24/1295022624.db2.gz UDDHTBJJIPQDAZ-QGZVFWFLSA-N 0 3 349.471 3.495 20 10 EGCDHN CC(C)(C)OC(=O)CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000182159636 1295022629 /nfs/dbraw/zinc/02/26/29/1295022629.db2.gz UDDHTBJJIPQDAZ-QGZVFWFLSA-N 0 3 349.471 3.495 20 10 EGCDHN CCN(Cc1ccccc1)C(=O)CN[C@H](C)c1cc(OC)ccc1O ZINC000182406635 1295044327 /nfs/dbraw/zinc/04/43/27/1295044327.db2.gz DORCZAVNVKRVHH-OAHLLOKOSA-N 0 3 342.439 3.100 20 10 EGCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N2c3ccccc3C[C@@H]2C)c1 ZINC000182406216 1295044485 /nfs/dbraw/zinc/04/44/85/1295044485.db2.gz SHPNRYXQUOGQDZ-UONOGXRCSA-N 0 3 340.423 3.029 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(c3c(F)cccc3F)C2)c([O-])c1 ZINC000185855790 1295290872 /nfs/dbraw/zinc/29/08/72/1295290872.db2.gz WHNVXNRXKQKNBQ-CHWSQXEVSA-N 0 3 346.377 3.435 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c1[O-] ZINC000192679609 1295789174 /nfs/dbraw/zinc/78/91/74/1295789174.db2.gz CNEVIKVIHQPZEW-JTQLQIEISA-N 0 3 344.839 3.057 20 10 EGCDHN C[N@@H+]1CCC[C@H]2CN(Cc3cccc(Br)c3[O-])CC[C@H]21 ZINC000228183418 1296151706 /nfs/dbraw/zinc/15/17/06/1296151706.db2.gz MLYBDRGLZBETHT-SWLSCSKDSA-N 0 3 339.277 3.071 20 10 EGCDHN C[N@H+]1CCC[C@H]2CN(Cc3cccc(Br)c3[O-])CC[C@H]21 ZINC000228183418 1296151713 /nfs/dbraw/zinc/15/17/13/1296151713.db2.gz MLYBDRGLZBETHT-SWLSCSKDSA-N 0 3 339.277 3.071 20 10 EGCDHN C[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])[C@H]1CO ZINC000249034261 1296434625 /nfs/dbraw/zinc/43/46/25/1296434625.db2.gz BVOJFXLAPDVTJX-KXBFYZLASA-N 0 3 327.424 3.174 20 10 EGCDHN C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])[C@H]1CO ZINC000249034261 1296434631 /nfs/dbraw/zinc/43/46/31/1296434631.db2.gz BVOJFXLAPDVTJX-KXBFYZLASA-N 0 3 327.424 3.174 20 10 EGCDHN C[C@@H](NCc1ccccc1CO)c1ccc(N2CCOCC2)c(F)c1 ZINC000305156759 1296987287 /nfs/dbraw/zinc/98/72/87/1296987287.db2.gz VXPJUVVJUWHRKX-OAHLLOKOSA-N 0 3 344.430 3.005 20 10 EGCDHN CN(C(=O)Nc1ccc(N)cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388880402 1297605863 /nfs/dbraw/zinc/60/58/63/1297605863.db2.gz QTFWHTMSTJMIEG-LJQANCHMSA-N 0 3 338.455 3.397 20 10 EGCDHN CO[C@@](C)(C[NH2+]Cc1cc(F)ccc1[O-])COCc1ccccc1 ZINC000702764002 1298197589 /nfs/dbraw/zinc/19/75/89/1298197589.db2.gz ONXSKHAESHFZOE-IBGZPJMESA-N 0 3 333.403 3.243 20 10 EGCDHN Cc1ccc(O)c(CNC(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)c1 ZINC000875572539 1298393568 /nfs/dbraw/zinc/39/35/68/1298393568.db2.gz FJZCANPSWNTBEY-BEFAXECRSA-N 0 3 341.455 3.191 20 10 EGCDHN Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)c([O-])c1 ZINC000876662853 1298905061 /nfs/dbraw/zinc/90/50/61/1298905061.db2.gz PAGJEBLTKMNEEA-QGZVFWFLSA-N 0 3 338.451 3.343 20 10 EGCDHN Cc1ccc(C[N@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)c([O-])c1 ZINC000876662853 1298905072 /nfs/dbraw/zinc/90/50/72/1298905072.db2.gz PAGJEBLTKMNEEA-QGZVFWFLSA-N 0 3 338.451 3.343 20 10 EGCDHN Cn1ccc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 ZINC000748098759 1298927612 /nfs/dbraw/zinc/92/76/12/1298927612.db2.gz MYFRQIMXAVPBBS-UHFFFAOYSA-N 0 3 328.416 3.213 20 10 EGCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000876736218 1298947056 /nfs/dbraw/zinc/94/70/56/1298947056.db2.gz UKYMWVKWALOHDW-ZBFHGGJFSA-N 0 3 334.460 3.436 20 10 EGCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000876736218 1298947060 /nfs/dbraw/zinc/94/70/60/1298947060.db2.gz UKYMWVKWALOHDW-ZBFHGGJFSA-N 0 3 334.460 3.436 20 10 EGCDHN COc1ccc([C@H](C[NH2+]Cc2ccc(C)cc2[O-])N(C)C)cc1OC ZINC000876892943 1299052960 /nfs/dbraw/zinc/05/29/60/1299052960.db2.gz MEWWJURANUADQM-KRWDZBQOSA-N 0 3 344.455 3.110 20 10 EGCDHN Cc1ccc(C[NH2+]C[C@H](c2ccc(F)cc2)N2CCOCC2)c([O-])c1 ZINC000876892238 1299053023 /nfs/dbraw/zinc/05/30/23/1299053023.db2.gz IENPILMUTYTVEN-LJQANCHMSA-N 0 3 344.430 3.003 20 10 EGCDHN Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CCc3ccccc3)C2)c([O-])c1 ZINC000877084998 1299150443 /nfs/dbraw/zinc/15/04/43/1299150443.db2.gz LEIMYODYMNDHTI-IBGZPJMESA-N 0 3 338.451 3.024 20 10 EGCDHN OC1CCN(c2ccc(CN3CCCc4occc4C3)cc2)CC1 ZINC000877537098 1299377767 /nfs/dbraw/zinc/37/77/67/1299377767.db2.gz HQMDIEUBEIIAFB-UHFFFAOYSA-N 0 3 326.440 3.189 20 10 EGCDHN COc1cccc(CN2CC[C@@]3(C2)CC(=O)c2ccccc2O3)c1O ZINC000877589039 1299417094 /nfs/dbraw/zinc/41/70/94/1299417094.db2.gz FUQGEXOIGIYEJN-FQEVSTJZSA-N 0 3 339.391 3.011 20 10 EGCDHN COc1ccc(N2CC[C@@H](CNCc3nc4ccccc4o3)C2)cc1 ZINC000877598000 1299422841 /nfs/dbraw/zinc/42/28/41/1299422841.db2.gz FWDDIDRLHMFYNF-HNNXBMFYSA-N 0 3 337.423 3.453 20 10 EGCDHN Cc1ccc(C[NH2+][C@H](C)c2ccc(N3CCNC3=O)cc2)c([O-])c1 ZINC000877605537 1299426458 /nfs/dbraw/zinc/42/64/58/1299426458.db2.gz UBAMEUANFIOKSX-CQSZACIVSA-N 0 3 325.412 3.081 20 10 EGCDHN Oc1ccc2c(c1)[C@@H](NCc1ccc(N3CCC(O)CC3)cc1)CC2 ZINC000877631915 1299443013 /nfs/dbraw/zinc/44/30/13/1299443013.db2.gz OGIPJIISSWSZJF-NRFANRHFSA-N 0 3 338.451 3.130 20 10 EGCDHN COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000877756442 1299532457 /nfs/dbraw/zinc/53/24/57/1299532457.db2.gz IRBYLEMFAHFAIA-ZIAGYGMSSA-N 0 3 328.412 3.469 20 10 EGCDHN O=C1NCCC12CC[NH+](Cc1cc(-c3ccccc3)ccc1[O-])CC2 ZINC000877783291 1299555434 /nfs/dbraw/zinc/55/54/34/1299555434.db2.gz NOBXAICXNXBTQK-UHFFFAOYSA-N 0 3 336.435 3.161 20 10 EGCDHN CCC(CC)[C@@H](C[NH2+][C@H](C)c1cc(F)ccc1[O-])N1CCOCC1 ZINC000756402758 1300484050 /nfs/dbraw/zinc/48/40/50/1300484050.db2.gz YJACWNVHAKPLCJ-RDTXWAMCSA-N 0 3 338.467 3.319 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+]C2CCN(C[C@H]3CCCO3)CC2)c2c1c(F)ccc2[O-] ZINC000756570840 1300524637 /nfs/dbraw/zinc/52/46/37/1300524637.db2.gz BNGKLXWKNIMSKG-UNEWFSDZSA-N 0 3 348.462 3.313 20 10 EGCDHN C[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1cc(Br)ccc1[O-] ZINC000756609969 1300532283 /nfs/dbraw/zinc/53/22/83/1300532283.db2.gz GRGBTDPVZHKHOR-GVXVVHGQSA-N 0 3 327.266 3.288 20 10 EGCDHN CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000879648591 1300647995 /nfs/dbraw/zinc/64/79/95/1300647995.db2.gz VGXCHELHOWPELN-OLZOCXBDSA-N 0 3 341.411 3.028 20 10 EGCDHN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N[C@H](C)c2ccccc2O)c1C ZINC000879648407 1300648181 /nfs/dbraw/zinc/64/81/81/1300648181.db2.gz NPGDJQVLKJTBGY-YPMHNXCESA-N 0 3 344.411 3.046 20 10 EGCDHN Cc1ccccc1CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648770 1300649359 /nfs/dbraw/zinc/64/93/59/1300649359.db2.gz CWTCMCLUUUQHKQ-HZPDHXFCSA-N 0 3 326.440 3.099 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](CO)CC(F)F)c1[O-] ZINC000760035724 1301212627 /nfs/dbraw/zinc/21/26/27/1301212627.db2.gz CWILWHLOSKCJPW-PSASIEDQSA-N 0 3 338.192 3.130 20 10 EGCDHN Cc1cc(Cn2cc([C@H](N)C(C)C)nn2)ccc1N1CCCCC1 ZINC000881379565 1301548441 /nfs/dbraw/zinc/54/84/41/1301548441.db2.gz USTIZKRZKCZYQG-LJQANCHMSA-N 0 3 327.476 3.281 20 10 EGCDHN C[C@@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000762648908 1301720417 /nfs/dbraw/zinc/72/04/17/1301720417.db2.gz JYTWLMIZZZQCMS-ZIAGYGMSSA-N 0 3 326.868 3.197 20 10 EGCDHN C[C@H](N[C@H]1CCCN(C)C1=O)c1ccc(N2CCCCCC2)cc1 ZINC000766435852 1302452388 /nfs/dbraw/zinc/45/23/88/1302452388.db2.gz AQTRTDRWEYRMJM-LPHOPBHVSA-N 0 3 329.488 3.338 20 10 EGCDHN C[C@H](NCc1ccc(C(N)=O)nc1)c1ccc(N2CCCCC2)cc1 ZINC000766532369 1302470703 /nfs/dbraw/zinc/47/07/03/1302470703.db2.gz YFKHALKOWNRWSW-HNNXBMFYSA-N 0 3 338.455 3.022 20 10 EGCDHN Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cc3c(cc2[O-])OC[C@H]3O)c1 ZINC000768444327 1302905974 /nfs/dbraw/zinc/90/59/74/1302905974.db2.gz XMOZKLBWMNRMLJ-PKOBYXMFSA-N 0 3 325.408 3.464 20 10 EGCDHN Cc1cccc([C@@H]2CCC[N@H+]2Cc2cc3c(cc2[O-])OC[C@H]3O)c1 ZINC000768444327 1302905985 /nfs/dbraw/zinc/90/59/85/1302905985.db2.gz XMOZKLBWMNRMLJ-PKOBYXMFSA-N 0 3 325.408 3.464 20 10 EGCDHN CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(OCC)cc2[O-])C1 ZINC000769007610 1303030898 /nfs/dbraw/zinc/03/08/98/1303030898.db2.gz VSMDXRVWVBGFBD-NVXWUHKLSA-N 0 3 348.487 3.308 20 10 EGCDHN CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(OCC)cc2[O-])C1 ZINC000769007610 1303030904 /nfs/dbraw/zinc/03/09/04/1303030904.db2.gz VSMDXRVWVBGFBD-NVXWUHKLSA-N 0 3 348.487 3.308 20 10 EGCDHN CCC[C@H](C)NC(=O)[C@@H]1CCCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000769209259 1303070927 /nfs/dbraw/zinc/07/09/27/1303070927.db2.gz GRYOLVPEPDHTJU-DOTOQJQBSA-N 0 3 349.494 3.409 20 10 EGCDHN Oc1ccc(-c2ccccc2)cc1CN1CCO[C@H]([C@H]2CCCO2)C1 ZINC000770304414 1303247274 /nfs/dbraw/zinc/24/72/74/1303247274.db2.gz MTBBYJOZEIPYRJ-RTWAWAEBSA-N 0 3 339.435 3.439 20 10 EGCDHN CC[C@@](C)(NCc1ccc(N2CCN(C)CC2)cc1)c1nccs1 ZINC000771839980 1303448888 /nfs/dbraw/zinc/44/88/88/1303448888.db2.gz BCQSYYOXOLCMHE-LJQANCHMSA-N 0 3 344.528 3.310 20 10 EGCDHN COC1(CO)CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000775203132 1303923568 /nfs/dbraw/zinc/92/35/68/1303923568.db2.gz KCBQSPMFTKHEFQ-UHFFFAOYSA-N 0 3 327.424 3.033 20 10 EGCDHN COc1ccc(O)c(CN2CCN(Cc3ccccc3C)CC2)c1 ZINC000775647248 1304002870 /nfs/dbraw/zinc/00/28/70/1304002870.db2.gz SQUVQLKPVHEMGV-UHFFFAOYSA-N 0 3 326.440 3.027 20 10 EGCDHN CCOc1ccc(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c([O-])c1 ZINC000777438676 1304296528 /nfs/dbraw/zinc/29/65/28/1304296528.db2.gz AVJKPJRBNLJBMD-LJQANCHMSA-N 0 3 331.387 3.024 20 10 EGCDHN CCOc1ccc(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c([O-])c1 ZINC000777438676 1304296534 /nfs/dbraw/zinc/29/65/34/1304296534.db2.gz AVJKPJRBNLJBMD-LJQANCHMSA-N 0 3 331.387 3.024 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCc2cnccn2)c1[O-] ZINC000779040326 1304522015 /nfs/dbraw/zinc/52/20/15/1304522015.db2.gz HRVJUZXDQDUWSR-NSHDSACASA-N 0 3 336.233 3.146 20 10 EGCDHN C[C@@H](NCc1ccc(N(C)C)cc1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000781049321 1304763438 /nfs/dbraw/zinc/76/34/38/1304763438.db2.gz NPTDPOVUTQXPTR-JKSUJKDBSA-N 0 3 337.467 3.209 20 10 EGCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H](F)c2ccccc2)N(C)C)cc1 ZINC000891247119 1304998874 /nfs/dbraw/zinc/99/88/74/1304998874.db2.gz FFDWUJKNICDFIW-OALUTQOASA-N 0 3 343.446 3.182 20 10 EGCDHN CS[C@H](C)CCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248032 1304999721 /nfs/dbraw/zinc/99/97/21/1304999721.db2.gz KHZMNNNUYNKOQU-PBHICJAKSA-N 0 3 337.533 3.003 20 10 EGCDHN COCCN(Cc1ccccc1)Cc1ccc(OC)c(OC)c1O ZINC000891471210 1305060170 /nfs/dbraw/zinc/06/01/70/1305060170.db2.gz RMQGZYARDFJRPY-UHFFFAOYSA-N 0 3 331.412 3.058 20 10 EGCDHN CCOc1ccc(C[NH2+]C[C@@](C)(C(=O)OC)c2ccccc2)c([O-])c1 ZINC000787430129 1305745277 /nfs/dbraw/zinc/74/52/77/1305745277.db2.gz ZVWJOPCTRFRFSQ-HXUWFJFHSA-N 0 3 343.423 3.011 20 10 EGCDHN COc1ccc(CNCc2ccc(OC)c(OC)c2Cl)c(O)c1 ZINC000793387309 1309360937 /nfs/dbraw/zinc/36/09/37/1309360937.db2.gz CNOFHZRLBCPLOQ-UHFFFAOYSA-N 0 3 337.803 3.361 20 10 EGCDHN COc1ccc(C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)c([O-])c1 ZINC000793390830 1309361621 /nfs/dbraw/zinc/36/16/21/1309361621.db2.gz RGIUWESBDYLUJL-UHFFFAOYSA-N 0 3 341.386 3.075 20 10 EGCDHN CCOc1ccc(C[NH2+]Cc2cccc(NC(=O)OC)c2)c([O-])c1 ZINC000796491249 1310013806 /nfs/dbraw/zinc/01/38/06/1310013806.db2.gz POBZREDMJHLKSV-UHFFFAOYSA-N 0 3 330.384 3.259 20 10 EGCDHN Cc1ccc(C[N@@H+]2CC[C@@H](CCNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000896981682 1310118622 /nfs/dbraw/zinc/11/86/22/1310118622.db2.gz KIQBUHXTNIMZAF-OAHLLOKOSA-N 0 3 334.460 3.437 20 10 EGCDHN Cc1ccc(C[N@H+]2CC[C@@H](CCNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000896981682 1310118626 /nfs/dbraw/zinc/11/86/26/1310118626.db2.gz KIQBUHXTNIMZAF-OAHLLOKOSA-N 0 3 334.460 3.437 20 10 EGCDHN CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)N2CCCC2)C1)c1ccc(C)cc1[O-] ZINC000797041260 1310131333 /nfs/dbraw/zinc/13/13/33/1310131333.db2.gz YLGAWFKNMDWABS-SJLPKXTDSA-N 0 3 345.487 3.422 20 10 EGCDHN COc1ccc(O)c(CN2CC(c3nc(-c4ccccc4)no3)C2)c1 ZINC000897320029 1310288874 /nfs/dbraw/zinc/28/88/74/1310288874.db2.gz HQMRHELXHVQFDO-UHFFFAOYSA-N 0 3 337.379 3.050 20 10 EGCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000801597016 1310971030 /nfs/dbraw/zinc/97/10/30/1310971030.db2.gz XRCNJLKCPKOXJG-AWEZNQCLSA-N 0 3 349.475 3.007 20 10 EGCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000801597016 1310971034 /nfs/dbraw/zinc/97/10/34/1310971034.db2.gz XRCNJLKCPKOXJG-AWEZNQCLSA-N 0 3 349.475 3.007 20 10 EGCDHN COc1cc(Br)cc(CN2CC[C@@H](OC)[C@@H](C)C2)c1O ZINC000824815029 1320287276 /nfs/dbraw/zinc/28/72/76/1320287276.db2.gz HOOAMHALEKTRIJ-GXFFZTMASA-N 0 3 344.249 3.020 20 10 EGCDHN CCCCN(Cc1ccccc1O)C(=O)NCCN1CCC(C)CC1 ZINC000801982310 1316973754 /nfs/dbraw/zinc/97/37/54/1316973754.db2.gz NLVBHEUNXQZXMK-UHFFFAOYSA-N 0 3 347.503 3.436 20 10 EGCDHN COc1ccc(C[NH2+]Cc2ccc(C)cc2-c2ccnn2C)c([O-])c1 ZINC000802651383 1317021382 /nfs/dbraw/zinc/02/13/82/1317021382.db2.gz OAGLLWWVXQYSNG-UHFFFAOYSA-N 0 3 337.423 3.400 20 10 EGCDHN COc1cc(N2CCN(Cc3cc(C)c(C)cc3O)CC2)ccc1F ZINC000802658923 1317022874 /nfs/dbraw/zinc/02/28/74/1317022874.db2.gz ACAAIXMSDAVNGO-UHFFFAOYSA-N 0 3 344.430 3.479 20 10 EGCDHN CC(C)(C)OC(=O)NC[C@]1(C)CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000802653963 1317023974 /nfs/dbraw/zinc/02/39/74/1317023974.db2.gz DKQBDIYFRXIABJ-SFHVURJKSA-N 0 3 338.423 3.268 20 10 EGCDHN CC(C)(C)OC(=O)NC[C@]1(C)CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000802653963 1317023982 /nfs/dbraw/zinc/02/39/82/1317023982.db2.gz DKQBDIYFRXIABJ-SFHVURJKSA-N 0 3 338.423 3.268 20 10 EGCDHN Cc1nccn1C[C@H](C)C[NH2+]Cc1c([O-])cccc1Br ZINC000858125656 1328689901 /nfs/dbraw/zinc/68/99/01/1328689901.db2.gz JQTJEWLQGIWXCP-LLVKDONJSA-N 0 3 338.249 3.086 20 10 EGCDHN CC[C@@H]([NH2+]C[C@H](C)N1CCN(CC)CC1)c1cccc(Cl)c1[O-] ZINC000806132469 1317463575 /nfs/dbraw/zinc/46/35/75/1317463575.db2.gz WQSYGYQQWRQVHV-WMLDXEAASA-N 0 3 339.911 3.112 20 10 EGCDHN C[C@@H](c1ccccc1)[C@@H](O)CNCc1cc(F)c(N(C)C)cc1F ZINC000858194987 1328708326 /nfs/dbraw/zinc/70/83/26/1328708326.db2.gz NYWXKZDKDTZZIA-DJJJIMSYSA-N 0 3 334.410 3.285 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](C(C)C)N2CCOCC2)c1[O-] ZINC000808673465 1317712263 /nfs/dbraw/zinc/71/22/63/1317712263.db2.gz PPNWTHIXAPGPDX-YOEHRIQHSA-N 0 3 340.895 3.361 20 10 EGCDHN COc1cccc(CNCc2cnn(-c3ccc(F)cc3)c2)c1O ZINC000809740435 1317885703 /nfs/dbraw/zinc/88/57/03/1317885703.db2.gz YRIXIZFLTYCSRI-UHFFFAOYSA-N 0 3 327.359 3.015 20 10 EGCDHN CC[C@H](CN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl)OC ZINC000810260388 1317989596 /nfs/dbraw/zinc/98/95/96/1317989596.db2.gz KEZYTPWTIBYVBF-DZGCQCFKSA-N 0 3 326.868 3.252 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+][C@@H](C2CC2)C(C)(C)CO)c1[O-] ZINC000811518240 1318194727 /nfs/dbraw/zinc/19/47/27/1318194727.db2.gz HQGBAENCJDHHMT-HNNXBMFYSA-N 0 3 342.277 3.350 20 10 EGCDHN C[C@H](NCc1cc2ccccc2n(C)c1=O)c1ccc(N(C)C)cc1 ZINC000813883708 1318650682 /nfs/dbraw/zinc/65/06/82/1318650682.db2.gz WAOMDIHLHOICMZ-HNNXBMFYSA-N 0 3 335.451 3.455 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C(C)C)C2(CO)CCC2)c1[O-] ZINC000814170097 1318687182 /nfs/dbraw/zinc/68/71/82/1318687182.db2.gz RSKGLPHWXHXPDV-INIZCTEOSA-N 0 3 327.852 3.331 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](CO)C2CCCCC2)c1[O-] ZINC000816650190 1319199993 /nfs/dbraw/zinc/19/99/93/1319199993.db2.gz XJLMBSHJTIYYKS-AWEZNQCLSA-N 0 3 327.852 3.333 20 10 EGCDHN CC1(C)CN(Cc2cc(-c3ccccc3)ccc2O)C[C@H](CO)O1 ZINC000817412094 1319350775 /nfs/dbraw/zinc/35/07/75/1319350775.db2.gz CWULFAXSVXBZLK-GOSISDBHSA-N 0 3 327.424 3.031 20 10 EGCDHN C[C@@H](NC[C@H]1CCCC[NH2+]1)c1cc(Br)cc(F)c1[O-] ZINC000817950705 1319474704 /nfs/dbraw/zinc/47/47/04/1319474704.db2.gz XKALTYINBLRDDB-MWLCHTKSSA-N 0 3 331.229 3.087 20 10 EGCDHN C[C@@H]([NH2+]C[C@H]1CCCCN1)c1cc(Br)cc(F)c1[O-] ZINC000817950705 1319474715 /nfs/dbraw/zinc/47/47/15/1319474715.db2.gz XKALTYINBLRDDB-MWLCHTKSSA-N 0 3 331.229 3.087 20 10 EGCDHN CC(C)[NH2+]CCCN[C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000817953799 1319475635 /nfs/dbraw/zinc/47/56/35/1319475635.db2.gz RNNYJOLVDMBDIH-JTQLQIEISA-N 0 3 333.245 3.333 20 10 EGCDHN C[C@@H](NCCc1ccc(N)cc1)c1nc(Br)cs1 ZINC000817956908 1319476544 /nfs/dbraw/zinc/47/65/44/1319476544.db2.gz FSZRRZDNHNNYPM-SECBINFHSA-N 0 3 326.263 3.381 20 10 EGCDHN CCC(N)(CC)C[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000817960936 1319478442 /nfs/dbraw/zinc/47/84/42/1319478442.db2.gz UQYPMCOFATVXOX-SECBINFHSA-N 0 3 333.245 3.462 20 10 EGCDHN CC[C@H]([NH2+]C[C@H]1CNCCCO1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817983209 1319485595 /nfs/dbraw/zinc/48/55/95/1319485595.db2.gz ZIWVIGGNHFTABG-RISCZKNCSA-N 0 3 333.259 3.118 20 10 EGCDHN COc1ccc(N2CC[C@H](CNCc3cccnc3Cl)C2)cc1 ZINC000818220442 1319521120 /nfs/dbraw/zinc/52/11/20/1319521120.db2.gz KJRIKXRMJGMHGD-CQSZACIVSA-N 0 3 331.847 3.360 20 10 EGCDHN COc1ccc(N2CC[C@H](CNCc3csc([N+](=O)[O-])c3)C2)cc1 ZINC000818219437 1319521203 /nfs/dbraw/zinc/52/12/03/1319521203.db2.gz FRYJYMKRYOVMAV-CYBMUJFWSA-N 0 3 347.440 3.281 20 10 EGCDHN CC1CCN(c2ccc(CNC[C@@](C)(O)C(F)(F)F)cc2)CC1 ZINC000819040268 1319620942 /nfs/dbraw/zinc/62/09/42/1319620942.db2.gz YERIGJCGQWJJLB-MRXNPFEDSA-N 0 3 330.394 3.326 20 10 EGCDHN Cc1cc(O)c(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1C ZINC000917455872 1319814349 /nfs/dbraw/zinc/81/43/49/1319814349.db2.gz BQCCYURPEBBHGO-UHFFFAOYSA-N 0 3 341.411 3.239 20 10 EGCDHN CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2[O-])[C@@H]1n1cccn1 ZINC000825118171 1320312560 /nfs/dbraw/zinc/31/25/60/1320312560.db2.gz PZWBWROLQFCFJD-OIISXLGYSA-N 0 3 333.407 3.015 20 10 EGCDHN O=C1CC[C@@H]2C[N@H+](Cc3cc(-c4ccccc4)ccc3[O-])CC[C@@H]2N1 ZINC000827140152 1320429614 /nfs/dbraw/zinc/42/96/14/1320429614.db2.gz IJZAATKSLBWYNJ-MJGOQNOKSA-N 0 3 336.435 3.160 20 10 EGCDHN O=C1CC[C@@H]2C[N@@H+](Cc3cc(-c4ccccc4)ccc3[O-])CC[C@@H]2N1 ZINC000827140152 1320429616 /nfs/dbraw/zinc/42/96/16/1320429616.db2.gz IJZAATKSLBWYNJ-MJGOQNOKSA-N 0 3 336.435 3.160 20 10 EGCDHN Cc1cc(N(C)C)ccc1CN1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000840942133 1321182674 /nfs/dbraw/zinc/18/26/74/1321182674.db2.gz SYZLVPMQAZUFMF-ZBFHGGJFSA-N 0 3 330.394 3.196 20 10 EGCDHN Cc1cc(N(C)C)ccc1CN[C@H](c1cccnc1)C(C)(C)CO ZINC000840948739 1321183808 /nfs/dbraw/zinc/18/38/08/1321183808.db2.gz IFUWKZTUYZVGDH-LJQANCHMSA-N 0 3 327.472 3.305 20 10 EGCDHN Cc1ccccc1CN1CCCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000841302143 1321250713 /nfs/dbraw/zinc/25/07/13/1321250713.db2.gz NCUHVUOCHPHIBY-UHFFFAOYSA-N 0 3 338.455 3.317 20 10 EGCDHN CC1(C)C[C@H]([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CO1 ZINC000841863251 1321324486 /nfs/dbraw/zinc/32/44/86/1321324486.db2.gz KGGFCTXWGBBYLR-HOTGVXAUSA-N 0 3 338.879 3.167 20 10 EGCDHN CCOc1ccc(C[NH2+][C@@H](CC)C(=O)NCc2cccs2)c([O-])c1 ZINC000842749606 1321427590 /nfs/dbraw/zinc/42/75/90/1321427590.db2.gz DKZVZYBOMJAKPF-INIZCTEOSA-N 0 3 348.468 3.037 20 10 EGCDHN CN(C)[C@H](CNC(=O)NCc1cc(Cl)ccc1O)c1ccccc1 ZINC000844850532 1321650571 /nfs/dbraw/zinc/65/05/71/1321650571.db2.gz UXFBNEWIIMDVLQ-MRXNPFEDSA-N 0 3 347.846 3.148 20 10 EGCDHN C[C@@H]1CCCN(Cc2cccc(Br)c2[O-])[C@@H]1CC[NH3+] ZINC000844902317 1321656129 /nfs/dbraw/zinc/65/61/29/1321656129.db2.gz PGTKXOCCFKXLDA-BXUZGUMPSA-N 0 3 327.266 3.104 20 10 EGCDHN Cc1ncncc1[C@@H](C)NCc1ccc(N2CCSCC2)cc1 ZINC000848521552 1321968104 /nfs/dbraw/zinc/96/81/04/1321968104.db2.gz POTZSLKPEVCYIK-CQSZACIVSA-N 0 3 328.485 3.189 20 10 EGCDHN COc1cc(CN[C@H]2c3ccccc3C[C@H]2O)c(O)c(C(C)(C)C)c1 ZINC000850116982 1322194289 /nfs/dbraw/zinc/19/42/89/1322194289.db2.gz SGKCZTXIDTVKSK-MOPGFXCFSA-N 0 3 341.451 3.446 20 10 EGCDHN Cc1cncc([C@@H](C)NCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000850568180 1322269331 /nfs/dbraw/zinc/26/93/31/1322269331.db2.gz RAKSVDKQPFLMLK-MRXNPFEDSA-N 0 3 325.456 3.202 20 10 EGCDHN C[C@H]([NH2+]Cc1ccc(N2CCCNC2=O)cc1)c1ccccc1[O-] ZINC000850574002 1322271274 /nfs/dbraw/zinc/27/12/74/1322271274.db2.gz ACEIWMNCZAIDPH-AWEZNQCLSA-N 0 3 325.412 3.163 20 10 EGCDHN COc1ccc(N2CCC(NCc3c(Cl)c(C)nn3C)CC2)cc1 ZINC000921654095 1322371311 /nfs/dbraw/zinc/37/13/11/1322371311.db2.gz CZBGVFXSXLPYTG-UHFFFAOYSA-N 0 3 348.878 3.149 20 10 EGCDHN c1cc2c(cc1CNCc1ccc3c(c1)OCCCO3)CCCO2 ZINC000921670813 1322375962 /nfs/dbraw/zinc/37/59/62/1322375962.db2.gz KXFZHVFQHDMNIR-UHFFFAOYSA-N 0 3 325.408 3.463 20 10 EGCDHN COc1ccc(N2CCN(Cc3cccc4n[nH]cc43)CC2)cc1F ZINC000862252191 1329471362 /nfs/dbraw/zinc/47/13/62/1329471362.db2.gz SOODGRFCEKMXSJ-UHFFFAOYSA-N 0 3 340.402 3.033 20 10 EGCDHN COc1cccc(CNCc2cc(C)c(Br)cn2)c1O ZINC000862367367 1329478656 /nfs/dbraw/zinc/47/86/56/1329478656.db2.gz GNUQMOQEKMCHJT-UHFFFAOYSA-N 0 3 337.217 3.157 20 10 EGCDHN CCOc1cccc(CN(CC)CCNC(=O)OC(C)(C)C)c1O ZINC000862469008 1329489146 /nfs/dbraw/zinc/48/91/46/1329489146.db2.gz WGXAFQOIQUUEDX-UHFFFAOYSA-N 0 3 338.448 3.138 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+]C[C@@H](n2cncn2)C(F)(F)F)c2c1c(F)ccc2[O-] ZINC000866436697 1330112270 /nfs/dbraw/zinc/11/22/70/1330112270.db2.gz QRAQOBCXZPJYPV-UBHAPETDSA-N 0 3 344.312 3.064 20 10 EGCDHN C[C@H](C[NH2+][C@H]1CCc2cccc([O-])c21)c1ccc(S(C)(=O)=O)cc1 ZINC000866535458 1330123197 /nfs/dbraw/zinc/12/31/97/1330123197.db2.gz DPDLFAHZOFDVSJ-DYVFJYSZSA-N 0 3 345.464 3.176 20 10 EGCDHN Cc1cc(Br)c([O-])c(CN(C(C)C)[C@H]2CC[NH2+]C2)c1 ZINC001236528150 1376956358 /nfs/dbraw/zinc/95/63/58/1376956358.db2.gz JMZXDAMIXMMNAZ-ZDUSSCGKSA-N 0 3 327.266 3.035 20 10 EGCDHN CCCCCNC(=S)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001200062397 1369310646 /nfs/dbraw/zinc/31/06/46/1369310646.db2.gz DKYZCRQRWJNGPT-UHFFFAOYSA-N 0 3 335.517 3.011 20 10 EGCDHN Cc1ccccc1NC(=O)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001202195200 1369713219 /nfs/dbraw/zinc/71/32/19/1369713219.db2.gz WOTQRWCRDIYBNG-UHFFFAOYSA-N 0 3 339.439 3.487 20 10 EGCDHN CCOc1cccc(CN2CCN(Cc3ccccc3)C[C@@H]2C)c1O ZINC001203609293 1370187047 /nfs/dbraw/zinc/18/70/47/1370187047.db2.gz OYSBISURCISAEX-KRWDZBQOSA-N 0 3 340.467 3.497 20 10 EGCDHN CCOc1cccc(CN2CCC(Oc3ccc(F)cn3)CC2)c1O ZINC001203617309 1370189275 /nfs/dbraw/zinc/18/92/75/1370189275.db2.gz MXGXUODCGAUYHF-UHFFFAOYSA-N 0 3 346.402 3.368 20 10 EGCDHN CN(CCNC(=O)OC(C)(C)C)Cc1ccc(N2CCCC2)cc1 ZINC001204320300 1370442984 /nfs/dbraw/zinc/44/29/84/1370442984.db2.gz RQMJVPFAXNXNGK-UHFFFAOYSA-N 0 3 333.476 3.243 20 10 EGCDHN Cc1ccc(C)n1-c1ccc(CN2CCC3(CC(=O)CO3)CC2)cc1 ZINC001209516912 1372127259 /nfs/dbraw/zinc/12/72/59/1372127259.db2.gz SMTMHZSSLLRURJ-UHFFFAOYSA-N 0 3 338.451 3.418 20 10 EGCDHN C[C@@H]1C[NH2+]CCC[C@@H]1Oc1c(O)c([O-])ccc1C(=O)c1ccccc1 ZINC001217987221 1373527447 /nfs/dbraw/zinc/52/74/47/1373527447.db2.gz MHRFPOZLCCIRCW-DYVFJYSZSA-N 0 3 341.407 3.096 20 10 EGCDHN CN(Cc1ccsc1)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001326734331 1388294072 /nfs/dbraw/zinc/29/40/72/1388294072.db2.gz LSBVJEAKYCPCFZ-UHFFFAOYSA-N 0 3 333.476 3.271 20 10 EGCDHN Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCc1cc(=O)n2ccccc2n1 ZINC001326800976 1388314718 /nfs/dbraw/zinc/31/47/18/1388314718.db2.gz PSRQQBWQYOFWSQ-HIFRSBDPSA-N 0 3 335.407 3.047 20 10 EGCDHN FCC1CCN(Cc2ccc(N3CCOCC3)c(Cl)c2)CC1 ZINC001232202724 1376416918 /nfs/dbraw/zinc/41/69/18/1376416918.db2.gz FTWKAUNMSAIAPO-UHFFFAOYSA-N 0 3 326.843 3.358 20 10 EGCDHN COc1ccc([C@@H]2CCCN2Cc2cc(O)c(O)cc2O)cc1OC ZINC001233485418 1376653110 /nfs/dbraw/zinc/65/31/10/1376653110.db2.gz VCQGSPZBMCJCSM-AWEZNQCLSA-N 0 3 345.395 3.158 20 10 EGCDHN CC(C)O[C@@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237057811 1376974826 /nfs/dbraw/zinc/97/48/26/1376974826.db2.gz FRQOOFNGUJKDSN-CQSZACIVSA-N 0 3 333.350 3.333 20 10 EGCDHN CC(C)O[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237057811 1376974833 /nfs/dbraw/zinc/97/48/33/1376974833.db2.gz FRQOOFNGUJKDSN-CQSZACIVSA-N 0 3 333.350 3.333 20 10 EGCDHN CC[N@H+](Cc1[nH]c(C)c(CCC(=O)OC)c1C)Cc1ccccc1[O-] ZINC001136920966 1377440123 /nfs/dbraw/zinc/44/01/23/1377440123.db2.gz LLBONKQQBNFKJR-UHFFFAOYSA-N 0 3 344.455 3.465 20 10 EGCDHN CC[N@@H+](Cc1[nH]c(C)c(CCC(=O)OC)c1C)Cc1ccccc1[O-] ZINC001136920966 1377440125 /nfs/dbraw/zinc/44/01/25/1377440125.db2.gz LLBONKQQBNFKJR-UHFFFAOYSA-N 0 3 344.455 3.465 20 10 EGCDHN COC(=O)C1CCN(Cc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC001137856182 1377631901 /nfs/dbraw/zinc/63/19/01/1377631901.db2.gz SQIOZYJWLFZLJH-UHFFFAOYSA-N 0 3 326.440 3.479 20 10 EGCDHN O=C1NCCCC12CCN(Cc1ccc(N3CCCCC3)cc1)CC2 ZINC001138219592 1377690907 /nfs/dbraw/zinc/69/09/07/1377690907.db2.gz IDGQBFFMKPRYRH-UHFFFAOYSA-N 0 3 341.499 3.169 20 10 EGCDHN CCN1CCN(c2ccc(CN3CCn4cccc4[C@H]3C)cc2)CC1 ZINC001140305659 1378043015 /nfs/dbraw/zinc/04/30/15/1378043015.db2.gz FCUQBZHPCRSGGI-GOSISDBHSA-N 0 3 338.499 3.207 20 10 EGCDHN Cc1c(O)ccc(CN2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)c1O ZINC001140747785 1378129079 /nfs/dbraw/zinc/12/90/79/1378129079.db2.gz MANIZXQYKPTKTN-GASCZTMLSA-N 0 3 347.418 3.436 20 10 EGCDHN Cc1ncsc1CN1CC2(C1)CN(Cc1c(C)cc(C)cc1O)C2 ZINC001276366082 1378173602 /nfs/dbraw/zinc/17/36/02/1378173602.db2.gz YYLNKVROJYSXMK-UHFFFAOYSA-N 0 3 343.496 3.092 20 10 EGCDHN Cc1ccc(C[N@@H+]2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)c([O-])c1 ZINC001140947703 1378188444 /nfs/dbraw/zinc/18/84/44/1378188444.db2.gz BJSCGEOSIMILPK-UHFFFAOYSA-N 0 3 332.444 3.143 20 10 EGCDHN Cc1ccc(C[N@H+]2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)c([O-])c1 ZINC001140947703 1378188447 /nfs/dbraw/zinc/18/84/47/1378188447.db2.gz BJSCGEOSIMILPK-UHFFFAOYSA-N 0 3 332.444 3.143 20 10 EGCDHN Cc1ccc(C[N@@H+]2CC[C@@H](C3CN(C(=O)OC(C)(C)C)C3)C2)c([O-])c1 ZINC001140947701 1378188705 /nfs/dbraw/zinc/18/87/05/1378188705.db2.gz BDHKEBOXOUERCZ-OAHLLOKOSA-N 0 3 346.471 3.389 20 10 EGCDHN Cc1ccc(C[N@H+]2CC[C@@H](C3CN(C(=O)OC(C)(C)C)C3)C2)c([O-])c1 ZINC001140947701 1378188710 /nfs/dbraw/zinc/18/87/10/1378188710.db2.gz BDHKEBOXOUERCZ-OAHLLOKOSA-N 0 3 346.471 3.389 20 10 EGCDHN Cc1ccc(C[NH+]2CCC(N(C)C(=O)c3ccccc3)CC2)c([O-])c1 ZINC001140953813 1378191645 /nfs/dbraw/zinc/19/16/45/1378191645.db2.gz HBUZKTJTASDFEV-UHFFFAOYSA-N 0 3 338.451 3.437 20 10 EGCDHN COC(=O)C1(C)CCN(Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141076026 1378232866 /nfs/dbraw/zinc/23/28/66/1378232866.db2.gz KAVIGQUHOLSXQI-UHFFFAOYSA-N 0 3 342.483 3.161 20 10 EGCDHN CN1CCOc2cc(CN3CC[C@H](Oc4cccc(F)c4)C3)ccc21 ZINC001141146121 1378248386 /nfs/dbraw/zinc/24/83/86/1378248386.db2.gz LHHXIODTTJKWCQ-SFHVURJKSA-N 0 3 342.414 3.308 20 10 EGCDHN CN(C)c1cc(F)c(CNC[C@H](O)CCc2ccccc2)cc1F ZINC001329157367 1388994804 /nfs/dbraw/zinc/99/48/04/1388994804.db2.gz WLPWJIHZJXMXQU-MRXNPFEDSA-N 0 3 334.410 3.114 20 10 EGCDHN C[C@H](c1ccco1)N(C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001319691194 1386254023 /nfs/dbraw/zinc/25/40/23/1386254023.db2.gz MAQXCFJFHCTPAQ-OAHLLOKOSA-N 0 3 331.435 3.364 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC[C@@H](C(=O)NC3CC3)C2)cc1F ZINC001319948879 1386411933 /nfs/dbraw/zinc/41/19/33/1386411933.db2.gz XBTFIVYOSLSHLI-MRXNPFEDSA-N 0 3 347.478 3.163 20 10 EGCDHN Cc1cc(Cn2cc(CNCC3CC3)nn2)ccc1N1CCCCC1 ZINC001330800112 1389531612 /nfs/dbraw/zinc/53/16/12/1389531612.db2.gz NNVXHTAXHORYDR-UHFFFAOYSA-N 0 3 339.487 3.125 20 10 EGCDHN COc1ccc(CNC/C=C/CNC(=O)[C@@H]2C[C@H]2C2CCC2)cc1C ZINC001754181688 1440548185 /nfs/dbraw/zinc/54/81/85/1440548185.db2.gz MNKYSHPYCCRDDM-CZHQAMEJSA-N 0 3 342.483 3.202 20 10 EGCDHN Cc1ccc(C[C@H](CO)NCc2cc(F)c(N(C)C)cc2F)cc1 ZINC001334902361 1126179856 /nfs/dbraw/zinc/17/98/56/1126179856.db2.gz MLJCWACTUBGLGN-MRXNPFEDSA-N 0 3 334.410 3.032 20 10 EGCDHN CN(Cc1ccc(C(N)=O)cc1)Cc1ccc(N2CCCCC2)cc1 ZINC000011193254 453311689 /nfs/dbraw/zinc/31/16/89/453311689.db2.gz UPYYLUKXVYEUHG-UHFFFAOYSA-N 0 3 337.467 3.408 20 10 EGCDHN [O-]c1ccccc1C[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000068980383 454070066 /nfs/dbraw/zinc/07/00/66/454070066.db2.gz PIBJMGNNFBQDHQ-UHFFFAOYSA-N 0 3 329.787 3.428 20 10 EGCDHN Cc1cc(=O)oc2cc(OCC[N@@H+](C)Cc3ccccc3[O-])ccc12 ZINC000077284301 454086054 /nfs/dbraw/zinc/08/60/54/454086054.db2.gz IWQSZZXZSJKKAO-UHFFFAOYSA-N 0 3 339.391 3.318 20 10 EGCDHN Cc1cc(=O)oc2cc(OCC[N@H+](C)Cc3ccccc3[O-])ccc12 ZINC000077284301 454086058 /nfs/dbraw/zinc/08/60/58/454086058.db2.gz IWQSZZXZSJKKAO-UHFFFAOYSA-N 0 3 339.391 3.318 20 10 EGCDHN COC(=O)COc1cccc(CN[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000089730598 454184929 /nfs/dbraw/zinc/18/49/29/454184929.db2.gz MDARCYFMBYVWTK-OAHLLOKOSA-N 0 3 342.439 3.155 20 10 EGCDHN CC[C@H]([NH2+]Cc1cccc(OC)c1[O-])[C@H](O)c1c(F)cccc1F ZINC000266295859 455425799 /nfs/dbraw/zinc/42/57/99/455425799.db2.gz LDTCAXSAGSNLQW-KSSFIOAISA-N 0 3 337.366 3.281 20 10 EGCDHN COc1cccc(CN(C)Cc2cc(OC)c(OC)cc2C)c1O ZINC000120103524 454258114 /nfs/dbraw/zinc/25/81/14/454258114.db2.gz VHKFPAWRSRIWKT-UHFFFAOYSA-N 0 3 331.412 3.358 20 10 EGCDHN Cc1ccc([O-])c(C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c1 ZINC000091949563 454492555 /nfs/dbraw/zinc/49/25/55/454492555.db2.gz PAAVOVDRFOFBOG-INIZCTEOSA-N 0 3 330.472 3.171 20 10 EGCDHN COc1cccc(C[N@H+](CCCO)[C@@H]2CCc3ccccc32)c1[O-] ZINC000093389217 454711453 /nfs/dbraw/zinc/71/14/53/454711453.db2.gz IYAJFXRUPZJQKS-GOSISDBHSA-N 0 3 327.424 3.273 20 10 EGCDHN COc1cccc(C[N@@H+](CCCO)[C@@H]2CCc3ccccc32)c1[O-] ZINC000093389217 454711456 /nfs/dbraw/zinc/71/14/56/454711456.db2.gz IYAJFXRUPZJQKS-GOSISDBHSA-N 0 3 327.424 3.273 20 10 EGCDHN Cc1cc([O-])c(C[NH+]2CCC(CN3CCCCC3=O)CC2)cc1C ZINC000093532103 454719187 /nfs/dbraw/zinc/71/91/87/454719187.db2.gz VWPYFFZJZOWJGK-UHFFFAOYSA-N 0 3 330.472 3.234 20 10 EGCDHN C[C@@H]([NH2+]C1CCN(C2CC2)CC1)c1ccc(Br)cc1[O-] ZINC000184913231 455471337 /nfs/dbraw/zinc/47/13/37/455471337.db2.gz PTESCXVSFSUDHO-LLVKDONJSA-N 0 3 339.277 3.432 20 10 EGCDHN C[C@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)c1ccc(F)cc1[O-] ZINC000185054946 455493118 /nfs/dbraw/zinc/49/31/18/455493118.db2.gz OJVDHAGPDDTMRF-AWEZNQCLSA-N 0 3 332.419 3.323 20 10 EGCDHN CCCOc1ccc(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c([O-])c1 ZINC000151375839 454976390 /nfs/dbraw/zinc/97/63/90/454976390.db2.gz MKNPIUHSGWRTAQ-YJBOKZPZSA-N 0 3 337.485 3.325 20 10 EGCDHN CC[C@H]([NH2+]C[C@@H](O)COc1ccc(F)c(F)c1)c1ccccc1[O-] ZINC000155705460 455033982 /nfs/dbraw/zinc/03/39/82/455033982.db2.gz CFTCXALYOWXTJY-PXAZEXFGSA-N 0 3 337.366 3.151 20 10 EGCDHN C[C@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1=O)c1ccccc1[O-] ZINC000179902086 455095831 /nfs/dbraw/zinc/09/58/31/455095831.db2.gz SCIBDKXRGORYKP-BBRMVZONSA-N 0 3 328.387 3.378 20 10 EGCDHN COc1cccc(C[NH2+][C@H]2CN(Cc3ccccc3)C[C@H]2C)c1[O-] ZINC000156775351 455149681 /nfs/dbraw/zinc/14/96/81/455149681.db2.gz WMTCQEMKXXBJSV-QAPCUYQASA-N 0 3 326.440 3.011 20 10 EGCDHN Cc1nc2n(n1)C[C@@H]([NH2+]Cc1cc(-c3ccccc3)ccc1[O-])CC2 ZINC000263997856 455180180 /nfs/dbraw/zinc/18/01/80/455180180.db2.gz FWYRGHGZOOHAJG-SFHVURJKSA-N 0 3 334.423 3.064 20 10 EGCDHN C[C@H]([NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1)c1ccccc1[O-] ZINC000183446109 455293535 /nfs/dbraw/zinc/29/35/35/455293535.db2.gz KKEFWDBLNSKLFN-SJORKVTESA-N 0 3 340.467 3.464 20 10 EGCDHN CCN1CCC(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)CC1 ZINC000265433716 455324422 /nfs/dbraw/zinc/32/44/22/455324422.db2.gz NPJUOVNSOPJNFO-UHFFFAOYSA-N 0 3 346.519 3.157 20 10 EGCDHN C[C@@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1cc(F)ccc1[O-] ZINC000184967559 455479711 /nfs/dbraw/zinc/47/97/11/455479711.db2.gz PMGIKLLLHIECGI-GFCCVEGCSA-N 0 3 332.375 3.080 20 10 EGCDHN CCN1CCN(CCCC[NH2+][C@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000185014406 455487185 /nfs/dbraw/zinc/48/71/85/455487185.db2.gz LMHPYOSHYBMGCS-OAHLLOKOSA-N 0 3 339.911 3.114 20 10 EGCDHN CCOc1ccc(O)c(CN[C@H](CN(C)C)c2ccc(OC)cc2)c1 ZINC000283960248 455616265 /nfs/dbraw/zinc/61/62/65/455616265.db2.gz KPMQMUIAXZMIGC-LJQANCHMSA-N 0 3 344.455 3.192 20 10 EGCDHN COc1ccc([C@@H](CCO)N[C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000185826091 455629762 /nfs/dbraw/zinc/62/97/62/455629762.db2.gz KXERVTHKBNUHJW-SCLBCKFNSA-N 0 3 331.412 3.184 20 10 EGCDHN C[C@@H]([NH2+]CCCNC(=O)c1ccc(F)cc1)c1cc(F)ccc1[O-] ZINC000186013922 455674965 /nfs/dbraw/zinc/67/49/65/455674965.db2.gz FDEDBPXXOVADPF-GFCCVEGCSA-N 0 3 334.366 3.141 20 10 EGCDHN Cc1csc(=O)n1CCN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000248083819 455679769 /nfs/dbraw/zinc/67/97/69/455679769.db2.gz WALBQTRCOOTERA-UHFFFAOYSA-N 0 3 345.512 3.341 20 10 EGCDHN COc1ccc(O)c([C@H](C)N[C@H]2C[C@H](C)N(c3ccccc3)C2=O)c1 ZINC000186081613 455689756 /nfs/dbraw/zinc/68/97/56/455689756.db2.gz HTQGJYYFPNTRHE-DEYYWGMASA-N 0 3 340.423 3.245 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000271684434 455721774 /nfs/dbraw/zinc/72/17/74/455721774.db2.gz JATLQLUFGVGTJS-NSHDSACASA-N 0 3 332.356 3.168 20 10 EGCDHN COc1ccccc1C[C@H](C)[N@H+](C)Cc1cc(OC)c(OC)cc1[O-] ZINC000271754158 455747773 /nfs/dbraw/zinc/74/77/73/455747773.db2.gz WRWGLPFORUJDCX-AWEZNQCLSA-N 0 3 345.439 3.481 20 10 EGCDHN COc1ccccc1C[C@H](C)[N@@H+](C)Cc1cc(OC)c(OC)cc1[O-] ZINC000271754158 455747776 /nfs/dbraw/zinc/74/77/76/455747776.db2.gz WRWGLPFORUJDCX-AWEZNQCLSA-N 0 3 345.439 3.481 20 10 EGCDHN COc1ccc([C@H](OC)[C@@H](C)[NH2+]Cc2cc(OC)ccc2[O-])cc1 ZINC000271775310 455754283 /nfs/dbraw/zinc/75/42/83/455754283.db2.gz CMFKAJPLJFZYJI-BFUOFWGJSA-N 0 3 331.412 3.275 20 10 EGCDHN Cc1ccc([C@@H](O)C[NH2+]Cc2cc(Br)cc(C)c2[O-])o1 ZINC000271795396 455763206 /nfs/dbraw/zinc/76/32/06/455763206.db2.gz HRSQQLHTJLYPPI-ZDUSSCGKSA-N 0 3 340.217 3.188 20 10 EGCDHN C[C@@H](NCc1ccc(N(C)C)cc1)c1ccc(C(=O)N(C)C)cc1 ZINC000293438440 455786980 /nfs/dbraw/zinc/78/69/80/455786980.db2.gz OSGULOQFCVDFAA-OAHLLOKOSA-N 0 3 325.456 3.305 20 10 EGCDHN COc1ccc(C(=O)NCC[NH2+][C@H](C)c2c(C)cc(C)cc2[O-])cc1 ZINC000285175953 455800055 /nfs/dbraw/zinc/80/00/55/455800055.db2.gz NBRWNZNKGHBDIJ-OAHLLOKOSA-N 0 3 342.439 3.098 20 10 EGCDHN Cc1cccc(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)c1[O-] ZINC000186594587 455801480 /nfs/dbraw/zinc/80/14/80/455801480.db2.gz ZYVAYYHGARBJCV-UHFFFAOYSA-N 0 3 329.415 3.409 20 10 EGCDHN CC(C)C(=O)NCCNCc1ccc(N(C)Cc2cccs2)cc1 ZINC000294677044 455823851 /nfs/dbraw/zinc/82/38/51/455823851.db2.gz DVQAZMSDZQLZTD-UHFFFAOYSA-N 0 3 345.512 3.246 20 10 EGCDHN COc1cc(Cl)cc(CN[C@H](CO)c2ccc(F)cc2)c1O ZINC000295207051 455841954 /nfs/dbraw/zinc/84/19/54/455841954.db2.gz ZMRBAOKNOYDOQM-CQSZACIVSA-N 0 3 325.767 3.017 20 10 EGCDHN COc1cc(Cl)cc(CN[C@@H](CO)c2ccc(F)cc2)c1O ZINC000295207050 455842138 /nfs/dbraw/zinc/84/21/38/455842138.db2.gz ZMRBAOKNOYDOQM-AWEZNQCLSA-N 0 3 325.767 3.017 20 10 EGCDHN [O-]c1cccc(Cl)c1C[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000295459057 455849541 /nfs/dbraw/zinc/84/95/41/455849541.db2.gz QSFWCZMZOPEMKW-UHFFFAOYSA-N 0 3 331.847 3.447 20 10 EGCDHN CCN(C)c1ccc([C@H](C)NCc2ccc(NC(C)=O)nc2)cc1 ZINC000279081541 455857984 /nfs/dbraw/zinc/85/79/84/455857984.db2.gz MSKODEWROOQKBR-AWEZNQCLSA-N 0 3 326.444 3.347 20 10 EGCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H](CN1CCOCC1)c1ccccc1)CC2 ZINC000295775958 455859604 /nfs/dbraw/zinc/85/96/04/455859604.db2.gz AOCCQAYELULELS-OALUTQOASA-N 0 3 338.451 3.043 20 10 EGCDHN Cc1ccc(C[NH2+][C@H](C)c2cc3c(cc2[O-])CCCC3)c(=O)n1C ZINC000279522401 455866561 /nfs/dbraw/zinc/86/65/61/455866561.db2.gz OKINDPYXGQNQEZ-CQSZACIVSA-N 0 3 326.440 3.129 20 10 EGCDHN Cc1ccc(CN[C@H](C)c2cc3c(cc2O)CCCC3)c(=O)n1C ZINC000279522401 455866565 /nfs/dbraw/zinc/86/65/65/455866565.db2.gz OKINDPYXGQNQEZ-CQSZACIVSA-N 0 3 326.440 3.129 20 10 EGCDHN CCOc1cccc(CN[C@H](C)c2ccc([S@](C)=O)cc2)c1O ZINC000270208057 455902584 /nfs/dbraw/zinc/90/25/84/455902584.db2.gz ZTZCXMFNPTWWSD-ZLOXQWCVSA-N 0 3 333.453 3.379 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CC[C@@H](CO)C2)c1[O-] ZINC000296369676 455921245 /nfs/dbraw/zinc/92/12/45/455921245.db2.gz JDKAMTYIUREHFY-WZRBSPASSA-N 0 3 328.250 3.275 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]CC2(S(C)(=O)=O)CCCC2)c([O-])c1C ZINC000285833770 455925654 /nfs/dbraw/zinc/92/56/54/455925654.db2.gz XWBQUORXCHHFQK-AWEZNQCLSA-N 0 3 325.474 3.017 20 10 EGCDHN CC[C@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(C)cc1[O-] ZINC000280278201 455934759 /nfs/dbraw/zinc/93/47/59/455934759.db2.gz YKIBCLDBKLKZFJ-KBPBESRZSA-N 0 3 344.377 3.295 20 10 EGCDHN CC[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(C)cc1[O-] ZINC000280293723 455939023 /nfs/dbraw/zinc/93/90/23/455939023.db2.gz ZJOVCPGOTLUGJI-VQIMIIECSA-N 0 3 332.488 3.242 20 10 EGCDHN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccc2c(c1)OCC(=O)N2 ZINC000286001773 455958509 /nfs/dbraw/zinc/95/85/09/455958509.db2.gz ISCFXTOEDSKADF-LBPRGKRZSA-N 0 3 343.402 3.073 20 10 EGCDHN C[C@](O)(C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])C(F)(F)F ZINC000270478208 455964463 /nfs/dbraw/zinc/96/44/63/455964463.db2.gz JALOLZGJTWFNTG-INIZCTEOSA-N 0 3 325.330 3.462 20 10 EGCDHN CCN(CC)c1ccc(CN2C[C@H](C)OC3(CCOCC3)C2)cc1 ZINC000280487484 455980715 /nfs/dbraw/zinc/98/07/15/455980715.db2.gz ONGLPXBDCVTQKL-KRWDZBQOSA-N 0 3 332.488 3.303 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](COc3ccccc3)C1)OCO2 ZINC000272550539 455990402 /nfs/dbraw/zinc/99/04/02/455990402.db2.gz TWQXQSMUBDOBIT-CQSZACIVSA-N 0 3 327.380 3.022 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](COc3ccccc3)C1)OCO2 ZINC000272550539 455990403 /nfs/dbraw/zinc/99/04/03/455990403.db2.gz TWQXQSMUBDOBIT-CQSZACIVSA-N 0 3 327.380 3.022 20 10 EGCDHN CN(Cc1cccs1)c1ccc(CNCC2([S@](C)=O)CC2)cc1 ZINC000296700420 456014373 /nfs/dbraw/zinc/01/43/73/456014373.db2.gz IEHLOUMUVOTJRW-QHCPKHFHSA-N 0 3 348.537 3.385 20 10 EGCDHN CC[C@H]([NH2+]CCCN1CCCN(C)CC1)c1cccc(Cl)c1[O-] ZINC000287598066 456073780 /nfs/dbraw/zinc/07/37/80/456073780.db2.gz IMOQRPVSJPPABS-KRWDZBQOSA-N 0 3 339.911 3.114 20 10 EGCDHN CCCCNC(=O)C1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000271096742 456124591 /nfs/dbraw/zinc/12/45/91/456124591.db2.gz ZLIHKNVUFZMNJN-UHFFFAOYSA-N 0 3 335.467 3.020 20 10 EGCDHN COCCOCc1ccc(CNCc2ccc3c(c2)CCO3)cc1 ZINC000289731892 456139554 /nfs/dbraw/zinc/13/95/54/456139554.db2.gz MRTHOKZDXWYMHK-UHFFFAOYSA-N 0 3 327.424 3.074 20 10 EGCDHN COc1ccc([C@@H](CN(C)C)[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000297252524 456162971 /nfs/dbraw/zinc/16/29/71/456162971.db2.gz JKMWXVGFBBDQDN-ZWKOTPCHSA-N 0 3 326.440 3.281 20 10 EGCDHN [O-]c1ccccc1C[N@H+](CC[C@H](O)c1ccccc1)C[C@H]1CCCO1 ZINC000289882677 456166822 /nfs/dbraw/zinc/16/68/22/456166822.db2.gz MDQGYJRFQOILHX-CTNGQTDRSA-N 0 3 341.451 3.497 20 10 EGCDHN [O-]c1ccccc1C[N@@H+](CC[C@H](O)c1ccccc1)C[C@H]1CCCO1 ZINC000289882677 456166825 /nfs/dbraw/zinc/16/68/25/456166825.db2.gz MDQGYJRFQOILHX-CTNGQTDRSA-N 0 3 341.451 3.497 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](CO)Cc2ccc(F)cc2)c1 ZINC000273363777 456224890 /nfs/dbraw/zinc/22/48/90/456224890.db2.gz DPLCVRZCPHVLCB-DZGCQCFKSA-N 0 3 333.403 3.042 20 10 EGCDHN COc1ccc(C[C@](C)(O)C[NH2+][C@H](C)c2ccccc2[O-])cc1OC ZINC000290192029 456263359 /nfs/dbraw/zinc/26/33/59/456263359.db2.gz OJKLOZYFDKUTFQ-VLIAUNLRSA-N 0 3 345.439 3.054 20 10 EGCDHN CC[C@@H]([NH2+]CC1=CCN(C)CC1)c1cc(Br)ccc1[O-] ZINC000274755636 456264769 /nfs/dbraw/zinc/26/47/69/456264769.db2.gz ITSWASMENTZEKY-OAHLLOKOSA-N 0 3 339.277 3.457 20 10 EGCDHN CCOc1cccc(CN[C@@H]2CCCN(C3CCCCC3)C2=O)c1O ZINC000276205657 456413699 /nfs/dbraw/zinc/41/36/99/456413699.db2.gz OBSDFISJFSCAMR-QGZVFWFLSA-N 0 3 346.471 3.204 20 10 EGCDHN C[C@H]([NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1)c1ccccc1[O-] ZINC000282364174 456490889 /nfs/dbraw/zinc/49/08/89/456490889.db2.gz HXCCFRKBTQYYAH-GOEBONIOSA-N 0 3 325.412 3.349 20 10 EGCDHN CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000310043542 456577806 /nfs/dbraw/zinc/57/78/06/456577806.db2.gz KPGZHKHUDXOZMV-HNNXBMFYSA-N 0 3 338.423 3.411 20 10 EGCDHN CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000310043546 456578888 /nfs/dbraw/zinc/57/88/88/456578888.db2.gz KPGZHKHUDXOZMV-OAHLLOKOSA-N 0 3 338.423 3.411 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)c1[O-] ZINC000291358300 456619071 /nfs/dbraw/zinc/61/90/71/456619071.db2.gz XZLWDCNEKFROSK-LJQANCHMSA-N 0 3 347.842 3.190 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@](CO)(c3ccccc3)C2)c1[O-] ZINC000291358300 456619077 /nfs/dbraw/zinc/61/90/77/456619077.db2.gz XZLWDCNEKFROSK-LJQANCHMSA-N 0 3 347.842 3.190 20 10 EGCDHN Cc1ccc([O-])c(C[NH2+]C[C@@H](O)c2cccc(Br)c2)c1 ZINC000282873636 456652630 /nfs/dbraw/zinc/65/26/30/456652630.db2.gz RIGMZEBNIJVOLZ-MRXNPFEDSA-N 0 3 336.229 3.286 20 10 EGCDHN C[C@@H](N[C@H](C)c1ccc(N2CCCCCC2)cc1)C(=O)NCCF ZINC000282946784 456672127 /nfs/dbraw/zinc/67/21/27/456672127.db2.gz ZBQPJFWDTHVUFP-HZPDHXFCSA-N 0 3 335.467 3.192 20 10 EGCDHN CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000283587001 456807544 /nfs/dbraw/zinc/80/75/44/456807544.db2.gz KBUNBJNRLSBROD-INIZCTEOSA-N 0 3 345.487 3.354 20 10 EGCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)cc1OC ZINC000362636176 457018281 /nfs/dbraw/zinc/01/82/81/457018281.db2.gz DKWDYMPYTQQHIT-HUUCEWRRSA-N 0 3 335.444 3.048 20 10 EGCDHN COc1cc([O-])c(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)cc1OC ZINC000362636176 457018289 /nfs/dbraw/zinc/01/82/89/457018289.db2.gz DKWDYMPYTQQHIT-HUUCEWRRSA-N 0 3 335.444 3.048 20 10 EGCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]C[C@@H]2CCSC2)C1 ZINC000366746725 457895066 /nfs/dbraw/zinc/89/50/66/457895066.db2.gz RHRNAYZOUUXWQH-XJKSGUPXSA-N 0 3 340.920 3.353 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1)OCO2 ZINC000362389245 458146792 /nfs/dbraw/zinc/14/67/92/458146792.db2.gz NBVJNSOGBDQUTE-OXQOHEQNSA-N 0 3 341.407 3.209 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1)OCO2 ZINC000362389245 458146797 /nfs/dbraw/zinc/14/67/97/458146797.db2.gz NBVJNSOGBDQUTE-OXQOHEQNSA-N 0 3 341.407 3.209 20 10 EGCDHN C[C@@H]1OCC[C@]12C[N@H+](Cc1c([O-])ccc3ccccc31)C[C@@H](C)O2 ZINC000369383695 458198091 /nfs/dbraw/zinc/19/80/91/458198091.db2.gz NAFKJPKAMBNHEI-SIFCLUCFSA-N 0 3 327.424 3.314 20 10 EGCDHN C[C@@H]1OCC[C@]12C[N@@H+](Cc1c([O-])ccc3ccccc31)C[C@@H](C)O2 ZINC000369383695 458198097 /nfs/dbraw/zinc/19/80/97/458198097.db2.gz NAFKJPKAMBNHEI-SIFCLUCFSA-N 0 3 327.424 3.314 20 10 EGCDHN Cc1c2ccccc2n(C)c1CNC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000472219726 458775412 /nfs/dbraw/zinc/77/54/12/458775412.db2.gz HLAIIXOHAJKERA-HOCLYGCPSA-N 0 3 342.487 3.111 20 10 EGCDHN COc1cccc([C@@H](C[NH2+][C@@H](C)c2cc(OC)ccc2[O-])OC)c1 ZINC000527929381 459775120 /nfs/dbraw/zinc/77/51/20/459775120.db2.gz RTNFTSMMHLFBLH-ORAYPTAESA-N 0 3 331.412 3.448 20 10 EGCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)c1cc(OC)ccc1OC ZINC000727830724 574692856 /nfs/dbraw/zinc/69/28/56/574692856.db2.gz JUNSQAUKVJKTJO-LJQANCHMSA-N 0 3 345.439 3.355 20 10 EGCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)c1cc(OC)ccc1OC ZINC000727830724 574692858 /nfs/dbraw/zinc/69/28/58/574692858.db2.gz JUNSQAUKVJKTJO-LJQANCHMSA-N 0 3 345.439 3.355 20 10 EGCDHN CC1CCN(C(=O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)CC1 ZINC000731846469 575211821 /nfs/dbraw/zinc/21/18/21/575211821.db2.gz ZYQDVLYYUHZNHZ-UHFFFAOYSA-N 0 3 330.472 3.395 20 10 EGCDHN CC1CCN(C(=O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)CC1 ZINC000731846469 575211823 /nfs/dbraw/zinc/21/18/23/575211823.db2.gz ZYQDVLYYUHZNHZ-UHFFFAOYSA-N 0 3 330.472 3.395 20 10 EGCDHN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000734520679 575507309 /nfs/dbraw/zinc/50/73/09/575507309.db2.gz JALSTONEHBKQQA-SJORKVTESA-N 0 3 346.519 3.123 20 10 EGCDHN Cc1ccc([O-])c(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1 ZINC000734844163 575559483 /nfs/dbraw/zinc/55/94/83/575559483.db2.gz WUIKZQRAANNNLK-WBVHZDCISA-N 0 3 339.357 3.325 20 10 EGCDHN O=C(NCc1ccccc1O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000734863483 575564956 /nfs/dbraw/zinc/56/49/56/575564956.db2.gz UWWVFBRLSFQWFP-QGZVFWFLSA-N 0 3 342.414 3.060 20 10 EGCDHN Cc1cc([O-])c(C[NH2+]CC2(N3CCOCC3)CCCCC2)cc1C ZINC000742366062 576773878 /nfs/dbraw/zinc/77/38/78/576773878.db2.gz FCWSBOWCIGYENK-UHFFFAOYSA-N 0 3 332.488 3.134 20 10 EGCDHN CC[C@@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1ccc(C)cc1[O-] ZINC000794804529 1309599150 /nfs/dbraw/zinc/59/91/50/1309599150.db2.gz UQURUAGNSRYDTK-MAUKXSAKSA-N 0 3 333.403 3.320 20 10 EGCDHN COc1cc([C@@H](C)[NH2+][C@H]2CCc3cccc([O-])c32)ccc1OCCO ZINC000834530695 1293111925 /nfs/dbraw/zinc/11/19/25/1293111925.db2.gz JKNUZWBWIUGJHV-CJNGLKHVSA-N 0 3 343.423 3.110 20 10 EGCDHN [O-]c1cccc2c1[C@H]([NH2+]CC1(CN3CCOCC3)CCCCC1)CC2 ZINC000834615237 1293123040 /nfs/dbraw/zinc/12/30/40/1293123040.db2.gz CBPUCSOUQOSQRN-GOSISDBHSA-N 0 3 344.499 3.252 20 10 EGCDHN [O-]c1cccc2c1[C@H]([NH2+]CCOc1ccc(C(F)(F)F)cn1)CC2 ZINC000834681043 1293132366 /nfs/dbraw/zinc/13/23/66/1293132366.db2.gz UQWVJWSXKBBBIW-CYBMUJFWSA-N 0 3 338.329 3.462 20 10 EGCDHN O=C(/C=C\c1ccccc1)NCCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834793491 1293149673 /nfs/dbraw/zinc/14/96/73/1293149673.db2.gz AGERUBVGXQFSKA-ADYSOMBNSA-N 0 3 336.435 3.189 20 10 EGCDHN Cc1ccncc1CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000834886340 1293163739 /nfs/dbraw/zinc/16/37/39/1293163739.db2.gz CGJAUPQQBSIHGA-OAHLLOKOSA-N 0 3 329.419 3.217 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCC2(CO)CC2)c1[O-] ZINC000834897553 1293168556 /nfs/dbraw/zinc/16/85/56/1293168556.db2.gz TYIOSZMNOZNFGB-LLVKDONJSA-N 0 3 328.250 3.276 20 10 EGCDHN CC(C)(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)[C@@H]1n1cccn1 ZINC000834902303 1293170140 /nfs/dbraw/zinc/17/01/40/1293170140.db2.gz GPUTZZRJUNSCRR-GFIVTLFCSA-N 0 3 341.455 3.363 20 10 EGCDHN COc1cc(C)cc(CN2CCN(c3ccc(F)cc3)CC2)c1O ZINC000125397257 1293505895 /nfs/dbraw/zinc/50/58/95/1293505895.db2.gz KHSVXXBCVJFQMX-UHFFFAOYSA-N 0 3 330.403 3.171 20 10 EGCDHN Cc1nc(CC[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cs1 ZINC000128381110 1293591502 /nfs/dbraw/zinc/59/15/02/1293591502.db2.gz DCWYLFOPDIIKDC-QGZVFWFLSA-N 0 3 332.469 3.381 20 10 EGCDHN Cc1nc(CC[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cs1 ZINC000128381110 1293591505 /nfs/dbraw/zinc/59/15/05/1293591505.db2.gz DCWYLFOPDIIKDC-QGZVFWFLSA-N 0 3 332.469 3.381 20 10 EGCDHN COc1ccc(N2CCN(Cc3cc(OC)c(C)cc3O)CC2)cc1 ZINC000159474627 1294236852 /nfs/dbraw/zinc/23/68/52/1294236852.db2.gz KXHZHXPSJACZDN-UHFFFAOYSA-N 0 3 342.439 3.040 20 10 EGCDHN O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3cc(F)ccc3[O-])CC2)cc1 ZINC000180197496 1294867705 /nfs/dbraw/zinc/86/77/05/1294867705.db2.gz WTTATWBQCPQLTO-UHFFFAOYSA-N 0 3 346.358 3.483 20 10 EGCDHN COCCN(Cc1ccc2c(c1)OCO2)Cc1cccc(C)c1O ZINC000180205676 1294868868 /nfs/dbraw/zinc/86/88/68/1294868868.db2.gz WTUOOFLOBHRLAD-UHFFFAOYSA-N 0 3 329.396 3.078 20 10 EGCDHN CCc1cccc(NC(=O)CN[C@H](C)c2cc(OC)ccc2O)c1 ZINC000182315037 1295034468 /nfs/dbraw/zinc/03/44/68/1295034468.db2.gz DLWNLVVZUUFHJB-CYBMUJFWSA-N 0 3 328.412 3.253 20 10 EGCDHN CCc1ccc(NC(=O)CN[C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000182396385 1295042778 /nfs/dbraw/zinc/04/27/78/1295042778.db2.gz XAGFENOUUYKGOY-ZDUSSCGKSA-N 0 3 328.412 3.253 20 10 EGCDHN CC(C)[C@](C)(O)C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183156918 1295103152 /nfs/dbraw/zinc/10/31/52/1295103152.db2.gz KLZGIHQDHPJLOB-HXUWFJFHSA-N 0 3 329.440 3.468 20 10 EGCDHN Cc1ccc(CN2CCCN(C(=O)c3ccccc3F)CC2)c(O)c1 ZINC000876567911 1298835863 /nfs/dbraw/zinc/83/58/63/1298835863.db2.gz AZPLSGQRNCZKQH-UHFFFAOYSA-N 0 3 342.414 3.188 20 10 EGCDHN Cc1ccc(NC(=O)C2CC[NH+](Cc3ccc(C)cc3[O-])CC2)nc1 ZINC000876596830 1298855156 /nfs/dbraw/zinc/85/51/56/1298855156.db2.gz OUJMOHFBBNAWAE-UHFFFAOYSA-N 0 3 339.439 3.255 20 10 EGCDHN COc1cc(Br)cc(C[NH2+][C@H]2CCCSC2)c1[O-] ZINC000749110459 1299143523 /nfs/dbraw/zinc/14/35/23/1299143523.db2.gz HQJLIOSOQPOXNO-NSHDSACASA-N 0 3 332.263 3.149 20 10 EGCDHN Cc1ccc(C[NH2+]C[C@H](O)c2cccc(Br)c2)c([O-])c1 ZINC000877497784 1299348409 /nfs/dbraw/zinc/34/84/09/1299348409.db2.gz BHUZDGUYOVISPV-INIZCTEOSA-N 0 3 336.229 3.286 20 10 EGCDHN Cc1ccc(C[N@@H+]2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000877502470 1299352966 /nfs/dbraw/zinc/35/29/66/1299352966.db2.gz KGUMKDSBSLBZGK-IBGZPJMESA-N 0 3 334.460 3.437 20 10 EGCDHN Cc1ccc(C[N@H+]2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000877502470 1299352975 /nfs/dbraw/zinc/35/29/75/1299352975.db2.gz KGUMKDSBSLBZGK-IBGZPJMESA-N 0 3 334.460 3.437 20 10 EGCDHN CC(C)CN1CCO[C@H](C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)C1 ZINC000756355664 1300474746 /nfs/dbraw/zinc/47/47/46/1300474746.db2.gz QQKOHZUTQBEGMM-FMKPAKJESA-N 0 3 336.451 3.026 20 10 EGCDHN Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1C[C@H](C)c3c1c([O-])ccc3F)C2 ZINC000756396987 1300482933 /nfs/dbraw/zinc/48/29/33/1300482933.db2.gz RDCYUGXDPFFIKQ-YNZJMPHRSA-N 0 3 327.403 3.325 20 10 EGCDHN CCC(CC)[C@H](C[NH2+][C@@H](C)c1ccc(C)cc1[O-])N1CCOCC1 ZINC000756398054 1300484261 /nfs/dbraw/zinc/48/42/61/1300484261.db2.gz BGJVLHKESWICGD-LPHOPBHVSA-N 0 3 334.504 3.488 20 10 EGCDHN C[C@H]1C[C@H]([NH2+]C2CN(C(=O)OC(C)(C)C)C2)c2c1c(F)ccc2[O-] ZINC000756648867 1300539996 /nfs/dbraw/zinc/53/99/96/1300539996.db2.gz LQWBPFURFKJPHN-GWCFXTLKSA-N 0 3 336.407 3.289 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)c2c1c(F)ccc2[O-] ZINC000756657701 1300542558 /nfs/dbraw/zinc/54/25/58/1300542558.db2.gz FNCLJGPCXQXDHH-MXASKKJJSA-N 0 3 348.462 3.313 20 10 EGCDHN Cc1cc2ncn(C[C@H](O)C[NH2+][C@H](C)c3ccccc3[O-])c2cc1C ZINC000879649092 1300648981 /nfs/dbraw/zinc/64/89/81/1300648981.db2.gz LQBCNMZSLDOOLS-HZPDHXFCSA-N 0 3 339.439 3.070 20 10 EGCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000879649353 1300649766 /nfs/dbraw/zinc/64/97/66/1300649766.db2.gz QYZWGYGFAVVJMH-BFHYXJOUSA-N 0 3 330.403 3.448 20 10 EGCDHN C[C@@H](N[C@H](CO)CC(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC000760041271 1301212138 /nfs/dbraw/zinc/21/21/38/1301212138.db2.gz XRGAMWSGMLXWCI-OCCSQVGLSA-N 0 3 330.394 3.483 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+](Cc2ccccc2)C[C@H](C)O)c1[O-] ZINC000761192587 1301417820 /nfs/dbraw/zinc/41/78/20/1301417820.db2.gz SPRWRMRKEWVTNU-ZDUSSCGKSA-N 0 3 335.831 3.437 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+](Cc2ccccc2)C[C@H](C)O)c1[O-] ZINC000761192587 1301417824 /nfs/dbraw/zinc/41/78/24/1301417824.db2.gz SPRWRMRKEWVTNU-ZDUSSCGKSA-N 0 3 335.831 3.437 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+](Cc2ccccc2)C[C@@H](C)O)c1[O-] ZINC000761192586 1301418008 /nfs/dbraw/zinc/41/80/08/1301418008.db2.gz SPRWRMRKEWVTNU-CYBMUJFWSA-N 0 3 335.831 3.437 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+](Cc2ccccc2)C[C@@H](C)O)c1[O-] ZINC000761192586 1301418013 /nfs/dbraw/zinc/41/80/13/1301418013.db2.gz SPRWRMRKEWVTNU-CYBMUJFWSA-N 0 3 335.831 3.437 20 10 EGCDHN CC[C@H]([NH2+]Cc1ccc(N2CCNC2=O)cc1)c1ccccc1[O-] ZINC000883286556 1302365430 /nfs/dbraw/zinc/36/54/30/1302365430.db2.gz WBMLVVRJQRTOIO-KRWDZBQOSA-N 0 3 325.412 3.163 20 10 EGCDHN CCOCCN1CCN(Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000768245130 1302863915 /nfs/dbraw/zinc/86/39/15/1302863915.db2.gz VWEQQQSOQUFHBN-UHFFFAOYSA-N 0 3 340.467 3.213 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1CCc1ccccc1)[C@H](O)CO2 ZINC000768442156 1302902452 /nfs/dbraw/zinc/90/24/52/1302902452.db2.gz JRVJFEPIUYELCM-YLJYHZDGSA-N 0 3 339.435 3.415 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1CCc1ccccc1)[C@H](O)CO2 ZINC000768442156 1302902465 /nfs/dbraw/zinc/90/24/65/1302902465.db2.gz JRVJFEPIUYELCM-YLJYHZDGSA-N 0 3 339.435 3.415 20 10 EGCDHN [O-]c1cc2c(cc1C[NH+]1CCC(OC3CCCCC3)CC1)[C@@H](O)CO2 ZINC000768443098 1302902546 /nfs/dbraw/zinc/90/25/46/1302902546.db2.gz AJAJZUMCEOVLAO-IBGZPJMESA-N 0 3 347.455 3.132 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1)[C@H](O)CO2 ZINC000768441029 1302903076 /nfs/dbraw/zinc/90/30/76/1302903076.db2.gz CPVQSTCRSXTSAQ-VQIMIIECSA-N 0 3 343.398 3.164 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1)[C@H](O)CO2 ZINC000768441029 1302903085 /nfs/dbraw/zinc/90/30/85/1302903085.db2.gz CPVQSTCRSXTSAQ-VQIMIIECSA-N 0 3 343.398 3.164 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](Cc3ccccc3)C1)[C@@H](O)CO2 ZINC000768452126 1302909934 /nfs/dbraw/zinc/90/99/34/1302909934.db2.gz OYILXKHRMUUCFB-JXFKEZNVSA-N 0 3 339.435 3.273 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](Cc3ccccc3)C1)[C@@H](O)CO2 ZINC000768452126 1302909946 /nfs/dbraw/zinc/90/99/46/1302909946.db2.gz OYILXKHRMUUCFB-JXFKEZNVSA-N 0 3 339.435 3.273 20 10 EGCDHN C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768467074 1302914374 /nfs/dbraw/zinc/91/43/74/1302914374.db2.gz XADVVQZTTBZAMB-PTSWNOGYSA-N 0 3 339.435 3.271 20 10 EGCDHN C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768467074 1302914379 /nfs/dbraw/zinc/91/43/79/1302914379.db2.gz XADVVQZTTBZAMB-PTSWNOGYSA-N 0 3 339.435 3.271 20 10 EGCDHN CC(C)N(Cc1ccc(N2CCOCC2)cc1)Cc1ccccn1 ZINC000768925096 1303014334 /nfs/dbraw/zinc/01/43/34/1303014334.db2.gz BIEOBEGEXSQQHT-UHFFFAOYSA-N 0 3 325.456 3.329 20 10 EGCDHN C[C@H](O)C[C@@H]1CCCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000769450952 1303115552 /nfs/dbraw/zinc/11/55/52/1303115552.db2.gz JXYVUVOPDVKQIO-RDJZCZTQSA-N 0 3 347.459 3.320 20 10 EGCDHN CCOc1ccc(CN2C[C@H](CC)N(C(C)=O)C[C@H]2CC)c(O)c1 ZINC000769495285 1303127257 /nfs/dbraw/zinc/12/72/57/1303127257.db2.gz DNZUPAZVPGJDME-SJORKVTESA-N 0 3 334.460 3.012 20 10 EGCDHN CCOc1ccc(C[N@@H+]2C[C@H](CC)N(C(C)=O)C[C@H]2CC)c([O-])c1 ZINC000769495285 1303127262 /nfs/dbraw/zinc/12/72/62/1303127262.db2.gz DNZUPAZVPGJDME-SJORKVTESA-N 0 3 334.460 3.012 20 10 EGCDHN CCOc1ccc(C[N@H+]2C[C@H](CC)N(C(C)=O)C[C@H]2CC)c([O-])c1 ZINC000769495285 1303127263 /nfs/dbraw/zinc/12/72/63/1303127263.db2.gz DNZUPAZVPGJDME-SJORKVTESA-N 0 3 334.460 3.012 20 10 EGCDHN CCOC(=O)CCC1CC[NH+](Cc2ccc(OCC)cc2[O-])CC1 ZINC000769526836 1303136089 /nfs/dbraw/zinc/13/60/89/1303136089.db2.gz MUAAJJZIULCXQY-UHFFFAOYSA-N 0 3 335.444 3.346 20 10 EGCDHN Oc1ccc(-c2ccccc2)cc1CN1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000770304411 1303247355 /nfs/dbraw/zinc/24/73/55/1303247355.db2.gz MTBBYJOZEIPYRJ-NHCUHLMSSA-N 0 3 339.435 3.439 20 10 EGCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+][C@H]2CCCOCC2)C1 ZINC000771388945 1303397519 /nfs/dbraw/zinc/39/75/19/1303397519.db2.gz KVCVMGWLCAHOGH-IRXDYDNUSA-N 0 3 338.879 3.169 20 10 EGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@@H](CO)C[C@@H]1CCCO1 ZINC000886228598 1303403798 /nfs/dbraw/zinc/40/37/98/1303403798.db2.gz BVYNNEKTTATBPU-MOPGFXCFSA-N 0 3 327.424 3.079 20 10 EGCDHN C[C@H](NCC(=O)N(C)C1CCC(C)CC1)c1ccc(N(C)C)cc1 ZINC000775833334 1304046314 /nfs/dbraw/zinc/04/63/14/1304046314.db2.gz BPEFBOZECBIFKI-WUJZJPHMSA-N 0 3 331.504 3.440 20 10 EGCDHN C[C@@H](NC(=O)N1CCN(C2CCCC2)CC1)c1ccc(N(C)C)cc1 ZINC000776248403 1304121301 /nfs/dbraw/zinc/12/13/01/1304121301.db2.gz ZOHOJGBGWRDGTC-MRXNPFEDSA-N 0 3 344.503 3.083 20 10 EGCDHN CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000779003495 1304517483 /nfs/dbraw/zinc/51/74/83/1304517483.db2.gz VCBGOPCXFYPDCK-ZDUSSCGKSA-N 0 3 338.423 3.268 20 10 EGCDHN CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000779003495 1304517485 /nfs/dbraw/zinc/51/74/85/1304517485.db2.gz VCBGOPCXFYPDCK-ZDUSSCGKSA-N 0 3 338.423 3.268 20 10 EGCDHN COc1cc(OC)cc(OCCC[N@H+](C)Cc2cc(F)ccc2[O-])c1 ZINC000779028969 1304520288 /nfs/dbraw/zinc/52/02/88/1304520288.db2.gz MSFUOKVDSUSICV-UHFFFAOYSA-N 0 3 349.402 3.449 20 10 EGCDHN COc1cc(OC)cc(OCCC[N@@H+](C)Cc2cc(F)ccc2[O-])c1 ZINC000779028969 1304520295 /nfs/dbraw/zinc/52/02/95/1304520295.db2.gz MSFUOKVDSUSICV-UHFFFAOYSA-N 0 3 349.402 3.449 20 10 EGCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccc(CF)cc2)N(C)C)cc1 ZINC000891247317 1304998911 /nfs/dbraw/zinc/99/89/11/1304998911.db2.gz UBQVEVUAOZCYBC-LJQANCHMSA-N 0 3 343.446 3.255 20 10 EGCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@]2(C)CC=CCC2)N(C)C)cc1 ZINC000891248925 1305000232 /nfs/dbraw/zinc/00/02/32/1305000232.db2.gz OQSPVDAYPUJVKM-UYAOXDASSA-N 0 3 329.488 3.218 20 10 EGCDHN CN(C)c1ccc([C@H](CNC(=O)c2cccc(F)c2F)N(C)C)cc1 ZINC000891254526 1305001617 /nfs/dbraw/zinc/00/16/17/1305001617.db2.gz YZADDFQFQOAEGK-KRWDZBQOSA-N 0 3 347.409 3.064 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]C[C@H](c2ccnn2C)C(C)C)c1[O-] ZINC000788266263 1305911777 /nfs/dbraw/zinc/91/17/77/1305911777.db2.gz MALIRIUKZBOINU-AWEZNQCLSA-N 0 3 337.851 3.317 20 10 EGCDHN COc1ccc(CN2C[C@H](C)C[C@@H]2c2cccnc2)c(O)c1OC ZINC000893572673 1305974786 /nfs/dbraw/zinc/97/47/86/1305974786.db2.gz SMUFJFQLXNJCDS-CZUORRHYSA-N 0 3 328.412 3.388 20 10 EGCDHN CSCC[C@H]([NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-])C(=O)N(C)C ZINC000808717532 1317721932 /nfs/dbraw/zinc/72/19/32/1317721932.db2.gz FZKKBYVBMCOFOI-FZMZJTMJSA-N 0 3 344.908 3.215 20 10 EGCDHN CC(C)(C[NH2+]Cc1cccc(Br)c1[O-])CN1CCCC1 ZINC000791010670 1308908663 /nfs/dbraw/zinc/90/86/63/1308908663.db2.gz HNIBKMTVAMOLDU-UHFFFAOYSA-N 0 3 341.293 3.366 20 10 EGCDHN COc1ccc(CN2CC(Cc3ccc(F)cc3)C2)c(O)c1OC ZINC000894826561 1309089942 /nfs/dbraw/zinc/08/99/42/1309089942.db2.gz XIMYZIIWDCSDKF-UHFFFAOYSA-N 0 3 331.387 3.223 20 10 EGCDHN COC(=O)[C@@]1(C)CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792830321 1309238908 /nfs/dbraw/zinc/23/89/08/1309238908.db2.gz COTTXRFJLLCCHV-INIZCTEOSA-N 0 3 344.377 3.156 20 10 EGCDHN Cc1ccc([C@H](O)CNCc2ccc(N(C)C)cc2C(F)(F)F)o1 ZINC000792994154 1309277802 /nfs/dbraw/zinc/27/78/02/1309277802.db2.gz YDRBVNMBQFGQPG-OAHLLOKOSA-N 0 3 342.361 3.496 20 10 EGCDHN COc1ccc(C[NH2+]Cc2ccc(Oc3cnccn3)cc2)c([O-])c1 ZINC000793388560 1309362128 /nfs/dbraw/zinc/36/21/28/1309362128.db2.gz PRZUZVUEFQDUJU-UHFFFAOYSA-N 0 3 337.379 3.273 20 10 EGCDHN OC[C@@]1(C(F)(F)F)CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000895847311 1309557803 /nfs/dbraw/zinc/55/78/03/1309557803.db2.gz UFRXYXDFZBPFRJ-QGZVFWFLSA-N 0 3 342.405 3.424 20 10 EGCDHN CC[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000796727895 1310074153 /nfs/dbraw/zinc/07/41/53/1310074153.db2.gz JGVJTOMIKKRSCZ-RVKKMQEKSA-N 0 3 338.467 3.461 20 10 EGCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898449393 1310741124 /nfs/dbraw/zinc/74/11/24/1310741124.db2.gz DKZOMNBBEJIGEZ-IBGZPJMESA-N 0 3 327.472 3.159 20 10 EGCDHN O=c1ccccn1C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccccc1 ZINC000800545050 1310781683 /nfs/dbraw/zinc/78/16/83/1310781683.db2.gz IVCIRUJDOTXJNB-GOSISDBHSA-N 0 3 338.382 3.224 20 10 EGCDHN CC(C)[C@H](C)N(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899101655 1310935660 /nfs/dbraw/zinc/93/56/60/1310935660.db2.gz KHFBXYVUSYKYHB-YJBOKZPZSA-N 0 3 334.508 3.041 20 10 EGCDHN CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000824861047 1320291139 /nfs/dbraw/zinc/29/11/39/1320291139.db2.gz FKJDQFUDYNIWIR-KGLIPLIRSA-N 0 3 341.835 3.266 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c1[O-] ZINC000825133295 1320313450 /nfs/dbraw/zinc/31/34/50/1320313450.db2.gz CFJZKVDFFRUPHE-MRXNPFEDSA-N 0 3 340.261 3.466 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@@]3(CCOC3)C2)c1[O-] ZINC000825133295 1320313452 /nfs/dbraw/zinc/31/34/52/1320313452.db2.gz CFJZKVDFFRUPHE-MRXNPFEDSA-N 0 3 340.261 3.466 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)c1[O-] ZINC000825090845 1320308407 /nfs/dbraw/zinc/30/84/07/1320308407.db2.gz JYROHBRIJQRRKX-CQSZACIVSA-N 0 3 342.277 3.446 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@@H](O)CC(C)(C)C2)c1[O-] ZINC000825090845 1320308413 /nfs/dbraw/zinc/30/84/13/1320308413.db2.gz JYROHBRIJQRRKX-CQSZACIVSA-N 0 3 342.277 3.446 20 10 EGCDHN C[C@H](NCc1cc(F)c(N(C)C)cc1F)[C@H](O)c1ccc(F)cc1 ZINC000858138716 1328692478 /nfs/dbraw/zinc/69/24/78/1328692478.db2.gz IYZREXDNNRJIRA-VOJFVSQTSA-N 0 3 338.373 3.382 20 10 EGCDHN CNc1ccccc1CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000902103200 1317522653 /nfs/dbraw/zinc/52/26/53/1317522653.db2.gz VVBWAWILLWLNBD-MRXNPFEDSA-N 0 3 325.456 3.416 20 10 EGCDHN COC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])C1 ZINC000808690040 1317716240 /nfs/dbraw/zinc/71/62/40/1317716240.db2.gz IZVACQPPOFQUBG-WCQYABFASA-N 0 3 326.824 3.235 20 10 EGCDHN COC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])C1 ZINC000808690039 1317716787 /nfs/dbraw/zinc/71/67/87/1317716787.db2.gz IZVACQPPOFQUBG-DGCLKSJQSA-N 0 3 326.824 3.235 20 10 EGCDHN C[C@H]1C[C@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)c2c1c(F)ccc2[O-] ZINC000858537687 1328791355 /nfs/dbraw/zinc/79/13/55/1328791355.db2.gz POVBJGJUUJLTPO-FUDCFQHSSA-N 0 3 344.386 3.300 20 10 EGCDHN [O-]c1c(C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)ccc2ccccc21 ZINC000816549297 1319180214 /nfs/dbraw/zinc/18/02/14/1319180214.db2.gz JRKGTRZCQNASDJ-LJQANCHMSA-N 0 3 340.467 3.278 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+](C)C[C@@H](O)Cc2ccccc2)c1[O-] ZINC000816625064 1319197140 /nfs/dbraw/zinc/19/71/40/1319197140.db2.gz PXZTYAPFYUCUTC-INIZCTEOSA-N 0 3 335.831 3.090 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+](C)C[C@@H](O)Cc2ccccc2)c1[O-] ZINC000816625064 1319197143 /nfs/dbraw/zinc/19/71/43/1319197143.db2.gz PXZTYAPFYUCUTC-INIZCTEOSA-N 0 3 335.831 3.090 20 10 EGCDHN CCCN1C[C@@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1=O ZINC000817410815 1319351295 /nfs/dbraw/zinc/35/12/95/1319351295.db2.gz HPOYTRXYSWCEGZ-MRXNPFEDSA-N 0 3 338.451 3.407 20 10 EGCDHN C[C@H]([NH2+]C1CCNCC1)c1cc(Br)cc(Cl)c1[O-] ZINC000817936039 1319465331 /nfs/dbraw/zinc/46/53/31/1319465331.db2.gz MHIPYJQNOFOJKU-QMMMGPOBSA-N 0 3 333.657 3.211 20 10 EGCDHN C[C@@H](NC[C@@H]1CCCC[NH2+]1)c1cc(Br)cc(F)c1[O-] ZINC000817950704 1319475383 /nfs/dbraw/zinc/47/53/83/1319475383.db2.gz XKALTYINBLRDDB-KOLCDFICSA-N 0 3 331.229 3.087 20 10 EGCDHN C[C@@H]([NH2+]C[C@@H]1CCCCN1)c1cc(Br)cc(F)c1[O-] ZINC000817950704 1319475384 /nfs/dbraw/zinc/47/53/84/1319475384.db2.gz XKALTYINBLRDDB-KOLCDFICSA-N 0 3 331.229 3.087 20 10 EGCDHN C[C@@H]([NH2+][C@@H](CN)C1CCCC1)c1cc(Br)ccc1[O-] ZINC000817980817 1319483881 /nfs/dbraw/zinc/48/38/81/1319483881.db2.gz DVHGEUBBKKAVEE-YGRLFVJLSA-N 0 3 327.266 3.323 20 10 EGCDHN CC(C)n1cncc1CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000818183332 1319511252 /nfs/dbraw/zinc/51/12/52/1319511252.db2.gz YIZCUQLDBXHKHR-MRXNPFEDSA-N 0 3 328.460 3.151 20 10 EGCDHN COc1cc(CN2CCC[C@@H](n3ccnn3)C2)c(O)c(C(C)(C)C)c1 ZINC000819898753 1319795366 /nfs/dbraw/zinc/79/53/66/1319795366.db2.gz YVRFUFINPKWDHJ-OAHLLOKOSA-N 0 3 344.459 3.127 20 10 EGCDHN CO[C@@H]1COCC[C@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000824708005 1320278398 /nfs/dbraw/zinc/27/83/98/1320278398.db2.gz CGICYFZLXWVXDP-FXAWDEMLSA-N 0 3 327.424 3.200 20 10 EGCDHN C[N@H+](CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)Cc1ccccc1[O-] ZINC000839516983 1320931516 /nfs/dbraw/zinc/93/15/16/1320931516.db2.gz PAQJFRUWKCNUSH-OAHLLOKOSA-N 0 3 334.460 3.471 20 10 EGCDHN C[N@@H+](CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)Cc1ccccc1[O-] ZINC000839516983 1320931518 /nfs/dbraw/zinc/93/15/18/1320931518.db2.gz PAQJFRUWKCNUSH-OAHLLOKOSA-N 0 3 334.460 3.471 20 10 EGCDHN Cc1cc(CN2CCC[C@H](NC(=O)N(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000840146734 1321040009 /nfs/dbraw/zinc/04/00/09/1321040009.db2.gz MGWFRFIMJJBMLQ-INIZCTEOSA-N 0 3 347.503 3.234 20 10 EGCDHN Cc1cc(N(C)C)ccc1CN1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000840948056 1321183745 /nfs/dbraw/zinc/18/37/45/1321183745.db2.gz KPTHULNVSUMSDY-ZBFHGGJFSA-N 0 3 330.394 3.054 20 10 EGCDHN CC[C@H]([NH2+]Cc1cc(Br)cc(C)c1[O-])[C@@H](O)C(C)C ZINC000840966198 1321188925 /nfs/dbraw/zinc/18/89/25/1321188925.db2.gz DJPXIMRCWRTGCN-KBPBESRZSA-N 0 3 330.266 3.348 20 10 EGCDHN CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccccc1[O-] ZINC000840964420 1321189182 /nfs/dbraw/zinc/18/91/82/1321189182.db2.gz SFNVXWPFVAZGEP-TZIWHRDSSA-N 0 3 340.467 3.019 20 10 EGCDHN C[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(Cl)cc1[O-] ZINC000841757264 1321307126 /nfs/dbraw/zinc/30/71/26/1321307126.db2.gz CTJIEDPXNTWKJS-KGLIPLIRSA-N 0 3 338.879 3.197 20 10 EGCDHN C[C@@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1ccc(N2CCNC2=O)cc1 ZINC000842900531 1321447839 /nfs/dbraw/zinc/44/78/39/1321447839.db2.gz IBXZAODRKVXCOW-DYVFJYSZSA-N 0 3 337.423 3.260 20 10 EGCDHN C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCNC2=O)cc1)c1ccccc1[O-] ZINC000842899339 1321447896 /nfs/dbraw/zinc/44/78/96/1321447896.db2.gz DTMANKFVPYDTAS-UONOGXRCSA-N 0 3 325.412 3.334 20 10 EGCDHN CC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])C(=O)NCc1cccs1 ZINC000842911059 1321448528 /nfs/dbraw/zinc/44/85/28/1321448528.db2.gz WNMVAIPSNLEBEE-XHDPSFHLSA-N 0 3 336.432 3.338 20 10 EGCDHN Fc1cc(CN2CCC[C@H](OC3CCC3)C2)ccc1N1CCOCC1 ZINC000848925429 1322046881 /nfs/dbraw/zinc/04/68/81/1322046881.db2.gz VQGBYKNNGXPXDW-SFHVURJKSA-N 0 3 348.462 3.196 20 10 EGCDHN COc1cc(Br)cc(C[NH2+]CCc2ccoc2)c1[O-] ZINC000850376416 1322236245 /nfs/dbraw/zinc/23/62/45/1322236245.db2.gz IEFKUZUUWHYZDX-UHFFFAOYSA-N 0 3 326.190 3.089 20 10 EGCDHN COC[C@@H](N[C@@H](C)c1cccc(OC)c1O)c1cccc(OC)c1 ZINC000850513618 1322260196 /nfs/dbraw/zinc/26/01/96/1322260196.db2.gz HQDYTRXQBLRMEW-SUMWQHHRSA-N 0 3 331.412 3.448 20 10 EGCDHN CC[C@@H]([NH2+]CC1(S(C)(=O)=O)CCCCC1)c1ccc(C)cc1[O-] ZINC000850531046 1322262186 /nfs/dbraw/zinc/26/21/86/1322262186.db2.gz GNWCXICDMPTFBR-MRXNPFEDSA-N 0 3 339.501 3.489 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C2CCN([C@@H]3CCOC3)CC2)c1[O-] ZINC000850558091 1322266981 /nfs/dbraw/zinc/26/69/81/1322266981.db2.gz PUBYWGSVDQGONZ-XJKSGUPXSA-N 0 3 338.879 3.258 20 10 EGCDHN C[C@@H](NCc1ccc2c(c1)CCCO2)c1ccc2c(c1)CC(=O)N2C ZINC000921668694 1322375006 /nfs/dbraw/zinc/37/50/06/1322375006.db2.gz JCXFVSOMZMGHID-CQSZACIVSA-N 0 3 336.435 3.381 20 10 EGCDHN COc1cc([C@H](C)NC2CCN(c3ccc(OC)cc3)CC2)on1 ZINC000924908667 1323208307 /nfs/dbraw/zinc/20/83/07/1323208307.db2.gz XERCEVWKDHTWEH-ZDUSSCGKSA-N 0 3 331.416 3.011 20 10 EGCDHN CCN(CC)c1ccc(CN(C)C(=O)c2cccc3c2CNC3)cc1 ZINC000852776122 1323240157 /nfs/dbraw/zinc/24/01/57/1323240157.db2.gz JYUWIOZKGAXNDJ-UHFFFAOYSA-N 0 3 337.467 3.408 20 10 EGCDHN COc1ccc(N2CCN(CCc3ccccc3)CC2)c(OC)c1 ZINC001201610187 1369589426 /nfs/dbraw/zinc/58/94/26/1369589426.db2.gz QPJZZOOHLLIKBY-UHFFFAOYSA-N 0 3 326.440 3.069 20 10 EGCDHN CC(C)(C)OC(=O)N1CC([C@H]2CC[N@H+](Cc3ccccc3[O-])C2)C1 ZINC001203551691 1370166528 /nfs/dbraw/zinc/16/65/28/1370166528.db2.gz KMAHCRRFMZQDCJ-AWEZNQCLSA-N 0 3 332.444 3.081 20 10 EGCDHN CC(C)(C)OC(=O)N1CC([C@H]2CC[N@@H+](Cc3ccccc3[O-])C2)C1 ZINC001203551691 1370166532 /nfs/dbraw/zinc/16/65/32/1370166532.db2.gz KMAHCRRFMZQDCJ-AWEZNQCLSA-N 0 3 332.444 3.081 20 10 EGCDHN O=C1C[C@]2(CC[N@@H+](Cc3ccccc3[O-])C2)CN1c1cccc(F)c1 ZINC001203552198 1370167237 /nfs/dbraw/zinc/16/72/37/1370167237.db2.gz DPGXFFYEYVZVJD-FQEVSTJZSA-N 0 3 340.398 3.160 20 10 EGCDHN O=C1C[C@]2(CC[N@H+](Cc3ccccc3[O-])C2)CN1c1cccc(F)c1 ZINC001203552198 1370167238 /nfs/dbraw/zinc/16/72/38/1370167238.db2.gz DPGXFFYEYVZVJD-FQEVSTJZSA-N 0 3 340.398 3.160 20 10 EGCDHN COc1cccc(O[C@@H]2CCC[N@H+](Cc3ccc(OC)cc3[O-])C2)c1 ZINC001203629436 1370192882 /nfs/dbraw/zinc/19/28/82/1370192882.db2.gz KHBQYDPJORBXPZ-LJQANCHMSA-N 0 3 343.423 3.453 20 10 EGCDHN COc1cccc(O[C@@H]2CCC[N@@H+](Cc3ccc(OC)cc3[O-])C2)c1 ZINC001203629436 1370192885 /nfs/dbraw/zinc/19/28/85/1370192885.db2.gz KHBQYDPJORBXPZ-LJQANCHMSA-N 0 3 343.423 3.453 20 10 EGCDHN COc1ccc(N2CCN(Cc3ccc(OC)cc3O)CC2)c(C)c1 ZINC001203634767 1370195327 /nfs/dbraw/zinc/19/53/27/1370195327.db2.gz URNBYHVKNLIEBO-UHFFFAOYSA-N 0 3 342.439 3.040 20 10 EGCDHN [O-]c1ccc(Cl)cc1CN1CCC([NH+]2CCC(F)CC2)CC1 ZINC001203664277 1370207405 /nfs/dbraw/zinc/20/74/05/1370207405.db2.gz VGZJJUGYXCEJGT-UHFFFAOYSA-N 0 3 326.843 3.444 20 10 EGCDHN COc1ccc(O[C@H]2CCCN(Cc3ccc(N(C)C)cc3)C2)nc1 ZINC001203935290 1370321731 /nfs/dbraw/zinc/32/17/31/1370321731.db2.gz BRWPYRLDJYCWKF-IBGZPJMESA-N 0 3 341.455 3.200 20 10 EGCDHN COc1cccc(O[C@@H]2CCCN(Cc3ccc(N(C)C)cc3)C2)n1 ZINC001203935824 1370322436 /nfs/dbraw/zinc/32/24/36/1370322436.db2.gz FCCJJBOSWSKBHE-GOSISDBHSA-N 0 3 341.455 3.200 20 10 EGCDHN [O-]c1cc(O)ccc1C[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC001204279172 1370430372 /nfs/dbraw/zinc/43/03/72/1370430372.db2.gz SBWMVHANWYFFEG-UHFFFAOYSA-N 0 3 325.408 3.162 20 10 EGCDHN COc1ccc(CNCc2ccc(Cl)cc2F)c(O)c1OC ZINC001120039077 1371465896 /nfs/dbraw/zinc/46/58/96/1371465896.db2.gz AKFQJIYZBUSIDY-UHFFFAOYSA-N 0 3 325.767 3.492 20 10 EGCDHN COc1ccc(N2CCN(Cc3c(C)[nH]c4ncccc34)CC2)cc1 ZINC001209586448 1372144045 /nfs/dbraw/zinc/14/40/45/1372144045.db2.gz BWTXVWLBJLNJGF-UHFFFAOYSA-N 0 3 336.439 3.202 20 10 EGCDHN [O-]c1ccc(Br)cc1CN1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385036 1373831583 /nfs/dbraw/zinc/83/15/83/1373831583.db2.gz DFUPAGWJPBNPAB-MRXNPFEDSA-N 0 3 339.277 3.263 20 10 EGCDHN COc1ccc(Br)c(C[N@H+]2CCC[C@H](F)CC2)c1[O-] ZINC001231548196 1376262385 /nfs/dbraw/zinc/26/23/85/1376262385.db2.gz PHJDLIWHIKQMDQ-JTQLQIEISA-N 0 3 332.213 3.487 20 10 EGCDHN COc1ccc(Br)c(CN2CCC[C@H](F)CC2)c1O ZINC001231548196 1376262392 /nfs/dbraw/zinc/26/23/92/1376262392.db2.gz PHJDLIWHIKQMDQ-JTQLQIEISA-N 0 3 332.213 3.487 20 10 EGCDHN COc1ccc(Br)c(C[N@@H+]2CCC[C@H](F)CC2)c1[O-] ZINC001231548196 1376262372 /nfs/dbraw/zinc/26/23/72/1376262372.db2.gz PHJDLIWHIKQMDQ-JTQLQIEISA-N 0 3 332.213 3.487 20 10 EGCDHN Cc1cc([O-])c(C[N@H+](C)CC2CCOCC2)cc1Br ZINC001237675840 1376982509 /nfs/dbraw/zinc/98/25/09/1376982509.db2.gz BWQRESFLMGBBDY-UHFFFAOYSA-N 0 3 328.250 3.322 20 10 EGCDHN Cc1cc([O-])c(C[N@@H+](C)CC2CCOCC2)cc1Br ZINC001237675840 1376982510 /nfs/dbraw/zinc/98/25/10/1376982510.db2.gz BWQRESFLMGBBDY-UHFFFAOYSA-N 0 3 328.250 3.322 20 10 EGCDHN CCc1ccc(C[N@H+](C)Cc2ccc(CC(=O)OC)cc2[O-])cc1 ZINC001249208627 1377073062 /nfs/dbraw/zinc/07/30/62/1377073062.db2.gz ZDUOLCHTWYUXRZ-UHFFFAOYSA-N 0 3 327.424 3.302 20 10 EGCDHN CCc1ccc(C[N@@H+](C)Cc2ccc(CC(=O)OC)cc2[O-])cc1 ZINC001249208627 1377073066 /nfs/dbraw/zinc/07/30/66/1377073066.db2.gz ZDUOLCHTWYUXRZ-UHFFFAOYSA-N 0 3 327.424 3.302 20 10 EGCDHN COC(=O)Cc1ccc(C[N@H+](C)[C@@H](C)c2ccc(OC)cc2)c([O-])c1 ZINC001249207913 1377073256 /nfs/dbraw/zinc/07/32/56/1377073256.db2.gz MFOLNQCMOLCAPN-AWEZNQCLSA-N 0 3 343.423 3.309 20 10 EGCDHN COC(=O)Cc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(OC)cc2)c([O-])c1 ZINC001249207913 1377073258 /nfs/dbraw/zinc/07/32/58/1377073258.db2.gz MFOLNQCMOLCAPN-AWEZNQCLSA-N 0 3 343.423 3.309 20 10 EGCDHN [O-]c1cccc(F)c1C[NH+]1C[C@H]2CN(Cc3cccs3)C[C@@H]2C1 ZINC001137832631 1377623877 /nfs/dbraw/zinc/62/38/77/1377623877.db2.gz BQHQTNLCEVJEBD-ZIAGYGMSSA-N 0 3 332.444 3.157 20 10 EGCDHN c1cnc(O[C@H]2CCN(Cc3ccc(N4CCCCC4)cc3)C2)nc1 ZINC001138222027 1377690924 /nfs/dbraw/zinc/69/09/24/1377690924.db2.gz BRPWHKAIUOPLMI-IBGZPJMESA-N 0 3 338.455 3.120 20 10 EGCDHN c1cnc(O[C@H]2CCN(Cc3ccc(N4CCCCC4)cc3)C2)cn1 ZINC001138222441 1377691146 /nfs/dbraw/zinc/69/11/46/1377691146.db2.gz XUOUGWSMWTUYSE-IBGZPJMESA-N 0 3 338.455 3.120 20 10 EGCDHN Cc1cc(CN2CCCC[C@H]2C(=O)N2CCCC2)ccc1N(C)C ZINC001139671785 1377931038 /nfs/dbraw/zinc/93/10/38/1377931038.db2.gz LKFNJMWQKOESRR-IBGZPJMESA-N 0 3 329.488 3.038 20 10 EGCDHN Cc1cc(O[C@@H]2CCCN(Cc3ccc(N(C)C)c(C)c3)C2)ncn1 ZINC001139674505 1377931465 /nfs/dbraw/zinc/93/14/65/1377931465.db2.gz TZAFWJYNABOOPI-GOSISDBHSA-N 0 3 340.471 3.203 20 10 EGCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001140053921 1377996823 /nfs/dbraw/zinc/99/68/23/1377996823.db2.gz FBCFWGNGXDIRCJ-XJKSGUPXSA-N 0 3 347.459 3.084 20 10 EGCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001140053921 1377996824 /nfs/dbraw/zinc/99/68/24/1377996824.db2.gz FBCFWGNGXDIRCJ-XJKSGUPXSA-N 0 3 347.459 3.084 20 10 EGCDHN Cc1ccc(C)c(CN2CCn3c(CN(C)C(C)C)cnc3C2)c1O ZINC001140180862 1378027153 /nfs/dbraw/zinc/02/71/53/1378027153.db2.gz NKCFDTVAALDXJC-UHFFFAOYSA-N 0 3 342.487 3.062 20 10 EGCDHN CCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001273284426 1378094672 /nfs/dbraw/zinc/09/46/72/1378094672.db2.gz IELVEVTVVSSORP-INIZCTEOSA-N 0 3 334.435 3.050 20 10 EGCDHN O=C1N(C2CCCC2)CC[C@@]12CCCN2Cc1cc(F)ccc1O ZINC001273284143 1378094814 /nfs/dbraw/zinc/09/48/14/1378094814.db2.gz FVJKZGSDCHSECW-IBGZPJMESA-N 0 3 332.419 3.041 20 10 EGCDHN COc1cccc(CN2CCN(Cc3cc(C)ccc3O)CC2)c1 ZINC001140623283 1378100465 /nfs/dbraw/zinc/10/04/65/1378100465.db2.gz NCBIXUSGWAIJQL-UHFFFAOYSA-N 0 3 326.440 3.027 20 10 EGCDHN CN(CCc1cccc(F)c1)Cc1ccc(N2CCOCC2)cc1F ZINC001140664209 1378110144 /nfs/dbraw/zinc/11/01/44/1378110144.db2.gz CETUXVMTMNIGOF-UHFFFAOYSA-N 0 3 346.421 3.476 20 10 EGCDHN Cc1ccc([C@@]2(C)CN(Cc3ccc(O)c(C)c3O)CCO2)cc1 ZINC001140748444 1378128846 /nfs/dbraw/zinc/12/88/46/1378128846.db2.gz GPVCAXZIIWZDFA-HXUWFJFHSA-N 0 3 327.424 3.462 20 10 EGCDHN Cc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)c([O-])c1 ZINC001140950125 1378189666 /nfs/dbraw/zinc/18/96/66/1378189666.db2.gz NYEBOQADFLDFPL-QWFCFKBJSA-N 0 3 331.456 3.249 20 10 EGCDHN Cc1ccc(C[N@H+]2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)c([O-])c1 ZINC001140950125 1378189669 /nfs/dbraw/zinc/18/96/69/1378189669.db2.gz NYEBOQADFLDFPL-QWFCFKBJSA-N 0 3 331.456 3.249 20 10 EGCDHN COc1ccc(N2CCN(Cc3ccc(C)cc3O)CC2)c(OC)c1 ZINC001140953594 1378191410 /nfs/dbraw/zinc/19/14/10/1378191410.db2.gz CSCKUJKLHDDVDE-UHFFFAOYSA-N 0 3 342.439 3.040 20 10 EGCDHN COc1cc(O)c(CN2CC[C@](CF)(C(F)(F)F)C2)c(OC)c1 ZINC001141032105 1378214761 /nfs/dbraw/zinc/21/47/61/1378214761.db2.gz SEKXJNGQOWRQMB-CQSZACIVSA-N 0 3 337.313 3.133 20 10 EGCDHN COC(=O)CCCN(Cc1ccccc1)Cc1cc(O)ccc1O ZINC001141156241 1378253519 /nfs/dbraw/zinc/25/35/19/1378253519.db2.gz IHYJQGMKXAMFOW-UHFFFAOYSA-N 0 3 329.396 3.053 20 10 EGCDHN CN1CCN(c2ccc(CNc3ccc4c(n3)CCCC4)cc2)CC1 ZINC001156655477 1380604825 /nfs/dbraw/zinc/60/48/25/1380604825.db2.gz DKSOUJMXSMAPPG-UHFFFAOYSA-N 0 3 336.483 3.324 20 10 EGCDHN CN(CCN(C)c1ccc(Nc2ccncc2)cc1)c1ccc(N)cc1 ZINC001173885337 1385025056 /nfs/dbraw/zinc/02/50/56/1385025056.db2.gz UQRASXDLXDBLAQ-UHFFFAOYSA-N 0 3 347.466 3.402 20 10 EGCDHN CN1CCN(c2ccc(CNC3(c4ccccc4)CC3)cc2F)CC1 ZINC001322650937 1387219791 /nfs/dbraw/zinc/21/97/91/1387219791.db2.gz VERAGHLCNAFYQA-UHFFFAOYSA-N 0 3 339.458 3.356 20 10 EGCDHN COc1ccc(C[C@H](C)[N@H+](C)Cc2ccc(OC)c(OC)c2[O-])cc1 ZINC001342829681 1390659664 /nfs/dbraw/zinc/65/96/64/1390659664.db2.gz KZYPXUMTFFOEDU-AWEZNQCLSA-N 0 3 345.439 3.481 20 10 EGCDHN COc1ccc(C[C@H](C)[N@@H+](C)Cc2ccc(OC)c(OC)c2[O-])cc1 ZINC001342829681 1390659666 /nfs/dbraw/zinc/65/96/66/1390659666.db2.gz KZYPXUMTFFOEDU-AWEZNQCLSA-N 0 3 345.439 3.481 20 10 EGCDHN CCNC(=O)OC[C@H]1CCCCN1Cc1ccc(N2CCCC2)cc1 ZINC001347178992 1391019122 /nfs/dbraw/zinc/01/91/22/1391019122.db2.gz MQLSOYSEIRXMSU-LJQANCHMSA-N 0 3 345.487 3.387 20 10 EGCDHN CC(C)CNC(=O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC001347666592 1391108800 /nfs/dbraw/zinc/10/88/00/1391108800.db2.gz OMLPMROHRTVAJN-LJQANCHMSA-N 0 3 340.467 3.428 20 10 EGCDHN COc1ccc(CNC/C=C\CNC(=O)C2CCC(F)CC2)cc1C ZINC001754166356 1440546487 /nfs/dbraw/zinc/54/64/87/1440546487.db2.gz KBPCMRNQSBSXJG-ARJAWSKDSA-N 0 3 348.462 3.294 20 10 EGCDHN COc1ccc(CNC2(CNC(=O)[C@@H]3CCC[C@@H]4C[C@@H]43)CC2)cc1C ZINC001754518848 1440619286 /nfs/dbraw/zinc/61/92/86/1440619286.db2.gz JMAYEEVDUIYCRI-KURKYZTESA-N 0 3 342.483 3.178 20 10 EGCDHN CC(=O)N1CCCN(Cc2ccc(N3CCCCC3)c(C)c2)CC1 ZINC000328600777 258041129 /nfs/dbraw/zinc/04/11/29/258041129.db2.gz ZTZRLTLYZARHNV-UHFFFAOYSA-N 0 3 329.488 3.040 20 10 EGCDHN CN(C)c1ccc(CN[C@@H](CO)c2ccc(Br)cc2)cc1 ZINC000271221206 456180810 /nfs/dbraw/zinc/18/08/10/456180810.db2.gz KDRVCMRKSAZCNZ-KRWDZBQOSA-N 0 3 349.272 3.338 20 10 EGCDHN CSC[C@](C)(O)C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183158090 455240900 /nfs/dbraw/zinc/24/09/00/455240900.db2.gz UFPHVWBKWQRQBK-LJQANCHMSA-N 0 3 347.480 3.175 20 10 EGCDHN [O-]c1cc2c(cc1C[NH2+]C1(c3ccc(F)cc3)CCOCC1)OCO2 ZINC000238123079 455254468 /nfs/dbraw/zinc/25/44/68/455254468.db2.gz WHUDSQCPPVQSKX-UHFFFAOYSA-N 0 3 345.370 3.056 20 10 EGCDHN Cc1cc(Br)cc(CN2CCC[N@@H+]3CCC[C@@H]3C2)c1[O-] ZINC000158030855 455261643 /nfs/dbraw/zinc/26/16/43/455261643.db2.gz KWBKOMBTDCOSKZ-OAHLLOKOSA-N 0 3 339.277 3.133 20 10 EGCDHN Cc1cc(Br)cc(CN2CCC[N@H+]3CCC[C@@H]3C2)c1[O-] ZINC000158030855 455261647 /nfs/dbraw/zinc/26/16/47/455261647.db2.gz KWBKOMBTDCOSKZ-OAHLLOKOSA-N 0 3 339.277 3.133 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC(Cn3cncn3)CC2)cc1F ZINC000189979025 455265048 /nfs/dbraw/zinc/26/50/48/455265048.db2.gz WTVNXYXKAKZQGS-UHFFFAOYSA-N 0 3 345.466 3.176 20 10 EGCDHN O=[N+]([O-])c1cccc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000070976078 454191090 /nfs/dbraw/zinc/19/10/90/454191090.db2.gz MJPFLMBBXCJVGC-SFHVURJKSA-N 0 3 342.395 3.482 20 10 EGCDHN COc1ccc(CN(C)Cc2ccc(N3CCOCC3)cc2)cc1F ZINC000071004545 454192444 /nfs/dbraw/zinc/19/24/44/454192444.db2.gz VJCMNLNCUJXFLN-UHFFFAOYSA-N 0 3 344.430 3.303 20 10 EGCDHN Cc1cc([O-])c(C[N@H+](C)C[C@H](O)COCc2ccccc2)cc1C ZINC000092472247 454571290 /nfs/dbraw/zinc/57/12/90/454571290.db2.gz QFQZKPJCCOTPQT-IBGZPJMESA-N 0 3 329.440 3.019 20 10 EGCDHN Cc1cc([O-])c(C[N@@H+](C)C[C@H](O)COCc2ccccc2)cc1C ZINC000092472247 454571294 /nfs/dbraw/zinc/57/12/94/454571294.db2.gz QFQZKPJCCOTPQT-IBGZPJMESA-N 0 3 329.440 3.019 20 10 EGCDHN C[C@@H](N[C@H]1CCCCNC1=O)c1ccc(N2CCCCCC2)cc1 ZINC000177875286 454915553 /nfs/dbraw/zinc/91/55/53/454915553.db2.gz KAFNXQGTSJGUDV-APWZRJJASA-N 0 3 329.488 3.386 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](c2ccc(F)cc2)N(C)C)c1 ZINC000185079939 455498272 /nfs/dbraw/zinc/49/82/72/455498272.db2.gz UBWTZEUJLGOBQD-SCLBCKFNSA-N 0 3 332.419 3.493 20 10 EGCDHN C[C@@H]1CN(CCC2CC[NH+](Cc3ccccc3[O-])CC2)C[C@H](C)O1 ZINC000179584074 455060842 /nfs/dbraw/zinc/06/08/42/455060842.db2.gz QGGRMNCBLGIOIK-CALCHBBNSA-N 0 3 332.488 3.104 20 10 EGCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000179901483 455095964 /nfs/dbraw/zinc/09/59/64/455095964.db2.gz CXZYIWLNQKGOKN-CQSZACIVSA-N 0 3 344.434 3.229 20 10 EGCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000179901483 455095966 /nfs/dbraw/zinc/09/59/66/455095966.db2.gz CXZYIWLNQKGOKN-CQSZACIVSA-N 0 3 344.434 3.229 20 10 EGCDHN CC[N@H+](C)C[C@H]1CCN(Cc2cc(Br)cc(C)c2[O-])C1 ZINC000180549969 455194080 /nfs/dbraw/zinc/19/40/80/455194080.db2.gz FKWCHRUQILPNEK-CYBMUJFWSA-N 0 3 341.293 3.237 20 10 EGCDHN CC[N@@H+](C)C[C@H]1CCN(Cc2cc(Br)cc(C)c2[O-])C1 ZINC000180549969 455194082 /nfs/dbraw/zinc/19/40/82/455194082.db2.gz FKWCHRUQILPNEK-CYBMUJFWSA-N 0 3 341.293 3.237 20 10 EGCDHN C[C@@H]([NH2+]CCCS(=O)(=O)Cc1ccccc1)c1ccccc1[O-] ZINC000183434097 455292982 /nfs/dbraw/zinc/29/29/82/455292982.db2.gz ZXIWJLJQTBCIAR-OAHLLOKOSA-N 0 3 333.453 3.048 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCC[C@H]2CCO)c1[O-] ZINC000190306373 455295636 /nfs/dbraw/zinc/29/56/36/455295636.db2.gz KPPFSEILTOTLGE-SMDDNHRTSA-N 0 3 328.250 3.104 20 10 EGCDHN COc1ccc([O-])c(C[NH2+]CCCc2nc3ccccc3n2C)c1 ZINC000181346679 455321275 /nfs/dbraw/zinc/32/12/75/455321275.db2.gz FAVZMQOEQVLKSN-UHFFFAOYSA-N 0 3 325.412 3.010 20 10 EGCDHN CCC[N@H+](C)C[C@@H]1CCN(Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000184699891 455431322 /nfs/dbraw/zinc/43/13/22/455431322.db2.gz SWXDXHPXIDARPV-ZDUSSCGKSA-N 0 3 326.868 3.218 20 10 EGCDHN CCC[N@@H+](C)C[C@@H]1CCN(Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000184699891 455431324 /nfs/dbraw/zinc/43/13/24/455431324.db2.gz SWXDXHPXIDARPV-ZDUSSCGKSA-N 0 3 326.868 3.218 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c1[O-] ZINC000184710142 455434251 /nfs/dbraw/zinc/43/42/51/455434251.db2.gz PEWLMCBDRSTFMU-BBRMVZONSA-N 0 3 343.876 3.199 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccccc2CN2CCOCC2)c([O-])c1 ZINC000184894395 455468517 /nfs/dbraw/zinc/46/85/17/455468517.db2.gz CJJBPEILFHVKPY-KRWDZBQOSA-N 0 3 340.467 3.384 20 10 EGCDHN C[C@@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1cc(F)ccc1[O-] ZINC000185054146 455492688 /nfs/dbraw/zinc/49/26/88/455492688.db2.gz WPTPUYIIXUHYGB-CQSZACIVSA-N 0 3 329.419 3.242 20 10 EGCDHN C[C@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1cc(F)ccc1[O-] ZINC000185054123 455492712 /nfs/dbraw/zinc/49/27/12/455492712.db2.gz WPTPUYIIXUHYGB-AWEZNQCLSA-N 0 3 329.419 3.242 20 10 EGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]Cc2cccc(CN3CCOCC3)c2)c1 ZINC000185063173 455493687 /nfs/dbraw/zinc/49/36/87/455493687.db2.gz GELJSUUDYOYNOH-QGZVFWFLSA-N 0 3 340.467 3.384 20 10 EGCDHN CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1 ZINC000185123181 455505752 /nfs/dbraw/zinc/50/57/52/455505752.db2.gz YDMREEVWBTWMBX-KGLIPLIRSA-N 0 3 348.468 3.021 20 10 EGCDHN C[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)c1cc(F)ccc1[O-] ZINC000185321976 455540347 /nfs/dbraw/zinc/54/03/47/455540347.db2.gz LXTRSRUNTRNKHO-CYBMUJFWSA-N 0 3 332.423 3.133 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(F)c(F)c2)c([O-])c1 ZINC000185375197 455550570 /nfs/dbraw/zinc/55/05/70/455550570.db2.gz DGYYCIHOZYAHKP-CHWSQXEVSA-N 0 3 337.366 3.069 20 10 EGCDHN COc1cc(OC)cc([C@@H](O)C[NH2+][C@@H](C)c2cc(C)ccc2[O-])c1 ZINC000185486828 455565269 /nfs/dbraw/zinc/56/52/69/455565269.db2.gz PBOVOMAYSGGVQH-DJJJIMSYSA-N 0 3 331.412 3.102 20 10 EGCDHN CCc1cc(N2CCC([NH2+][C@@H](C)c3ccc(C)cc3[O-])CC2)ncn1 ZINC000185643027 455588611 /nfs/dbraw/zinc/58/86/11/455588611.db2.gz JWZBVOMAIJFDST-HNNXBMFYSA-N 0 3 340.471 3.373 20 10 EGCDHN CCOc1cccc(CN[C@@H](CN(C)C)c2ccc(OC)cc2)c1O ZINC000283803443 455595798 /nfs/dbraw/zinc/59/57/98/455595798.db2.gz AUKFUBCEQVUYNN-SFHVURJKSA-N 0 3 344.455 3.192 20 10 EGCDHN C[C@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cn[nH]c1 ZINC000283943269 455614171 /nfs/dbraw/zinc/61/41/71/455614171.db2.gz FLVWOESSHOHXBI-JSGCOSHPSA-N 0 3 336.386 3.331 20 10 EGCDHN CC(=O)Nc1cccc(OCC[NH2+][C@@H](C)c2ccc(C)cc2[O-])c1 ZINC000185966766 455664222 /nfs/dbraw/zinc/66/42/22/455664222.db2.gz BVIBZOYTOFGWFP-AWEZNQCLSA-N 0 3 328.412 3.389 20 10 EGCDHN COc1ccc([C@H](OC)[C@H](C)[NH2+]Cc2cccc(OC)c2[O-])cc1 ZINC000271583574 455691651 /nfs/dbraw/zinc/69/16/51/455691651.db2.gz VPWPGLZDQCZNJC-ORAYPTAESA-N 0 3 331.412 3.275 20 10 EGCDHN CCCOc1ccc(CN2CCOC[C@@H]2[C@@H]2CCC[C@H]2OC)c(O)c1 ZINC000284791915 455743041 /nfs/dbraw/zinc/74/30/41/455743041.db2.gz ZFZATASQXCZBKW-NLWGTHIKSA-N 0 3 349.471 3.197 20 10 EGCDHN COc1cc([O-])c(C[NH2+][C@H](C)[C@H]2OCCc3sccc32)cc1OC ZINC000292745547 455747044 /nfs/dbraw/zinc/74/70/44/455747044.db2.gz HXDFFHBJYWUGDR-ADLMAVQZSA-N 0 3 349.452 3.263 20 10 EGCDHN COC[C@@H](CCO)[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000293267635 455780736 /nfs/dbraw/zinc/78/07/36/455780736.db2.gz CFIXYZQKZLSTKL-MJGOQNOKSA-N 0 3 329.440 3.053 20 10 EGCDHN COc1ccc([C@H](CCO)NCc2ccc(N(C)C)c(C)c2)cc1 ZINC000293803582 455798269 /nfs/dbraw/zinc/79/82/69/455798269.db2.gz NOZWNKPQMBSCIQ-IBGZPJMESA-N 0 3 328.456 3.283 20 10 EGCDHN CCN(C)C(=O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000294461072 455817250 /nfs/dbraw/zinc/81/72/50/455817250.db2.gz WGCRPGVSMSCVPC-GOSISDBHSA-N 0 3 326.440 3.134 20 10 EGCDHN COc1cccc(C[NH+]2CCC(CO)(Cc3ccccc3)CC2)c1[O-] ZINC000278661853 455842455 /nfs/dbraw/zinc/84/24/55/455842455.db2.gz KSVSWWKUYHDJEW-UHFFFAOYSA-N 0 3 341.451 3.218 20 10 EGCDHN CC[C@H](NCc1ccc(NC(C)=O)nc1)c1ccc(N(C)C)cc1 ZINC000279079858 455857391 /nfs/dbraw/zinc/85/73/91/455857391.db2.gz MLDZSGAQPDVVQB-SFHVURJKSA-N 0 3 326.444 3.347 20 10 EGCDHN CCC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1[O-])[C@@H](O)c1ccccc1 ZINC000279615362 455869559 /nfs/dbraw/zinc/86/95/59/455869559.db2.gz GDOOGUAOUJWCRP-UZLBHIALSA-N 0 3 345.439 3.401 20 10 EGCDHN COc1cccc(C[NH+]2CCC(O)(Cc3cccc(C)c3)CC2)c1[O-] ZINC000279885540 455876321 /nfs/dbraw/zinc/87/63/21/455876321.db2.gz UYCHPAJCQAGNBP-UHFFFAOYSA-N 0 3 341.451 3.279 20 10 EGCDHN COc1cccc(CN2CCC(O)(Cc3cccc(C)c3)CC2)c1O ZINC000279885540 455876324 /nfs/dbraw/zinc/87/63/24/455876324.db2.gz UYCHPAJCQAGNBP-UHFFFAOYSA-N 0 3 341.451 3.279 20 10 EGCDHN CC[C@@H]([NH2+]CCNC(=O)c1ccc(OC)cc1)c1ccc(C)cc1[O-] ZINC000279985222 455879667 /nfs/dbraw/zinc/87/96/67/455879667.db2.gz DXCAXCNEMCNUII-GOSISDBHSA-N 0 3 342.439 3.180 20 10 EGCDHN CC[C@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1ccc(C)cc1[O-] ZINC000285822132 455922674 /nfs/dbraw/zinc/92/26/74/455922674.db2.gz XFFWWTJIDFQBTM-GOEBONIOSA-N 0 3 346.393 3.004 20 10 EGCDHN CN(C)c1ccc(CNC[C@@](C)(O)C(F)(F)F)c(C(F)(F)F)c1 ZINC000280287285 455936565 /nfs/dbraw/zinc/93/65/65/455936565.db2.gz NGYDPLQMQHASSR-GFCCVEGCSA-N 0 3 344.299 3.174 20 10 EGCDHN CCN(CC)c1ccc(CNC(=O)C2CCN(C3CC3)CC2)cc1 ZINC000195363633 455950577 /nfs/dbraw/zinc/95/05/77/455950577.db2.gz ZKSQYFXPVVXAIT-UHFFFAOYSA-N 0 3 329.488 3.023 20 10 EGCDHN COC1CCN(c2ccc(CN(C)CCOCC3CC3)cc2)CC1 ZINC000296791953 456038396 /nfs/dbraw/zinc/03/83/96/456038396.db2.gz OGDFAODJXAVBCM-UHFFFAOYSA-N 0 3 332.488 3.160 20 10 EGCDHN COc1ccc(O)c([C@@H](C)N[C@@H](CN(C)C)c2ccc(F)cc2)c1 ZINC000286854930 456054895 /nfs/dbraw/zinc/05/48/95/456054895.db2.gz ASFTVFYNIREUMM-ACJLOTCBSA-N 0 3 332.419 3.493 20 10 EGCDHN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1cccc(-n2ccnn2)c1 ZINC000287689748 456076678 /nfs/dbraw/zinc/07/66/78/456076678.db2.gz NCLMIHIMTPQFMU-CQSZACIVSA-N 0 3 339.418 3.323 20 10 EGCDHN CCOc1cccc(CN(CCN(C)C)Cc2cccs2)c1O ZINC000289512211 456128595 /nfs/dbraw/zinc/12/85/95/456128595.db2.gz UVAHLJAGRJCUPV-UHFFFAOYSA-N 0 3 334.485 3.416 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)c1 ZINC000289587515 456132862 /nfs/dbraw/zinc/13/28/62/456132862.db2.gz BTPNPHNJTZYYTA-ADLFWFRXSA-N 0 3 327.424 3.218 20 10 EGCDHN CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000263688839 456192382 /nfs/dbraw/zinc/19/23/82/456192382.db2.gz OFXJGPIIPXJXJJ-CABCVRRESA-N 0 3 326.440 3.452 20 10 EGCDHN COc1ccc(OC)c([C@H](O)C[NH2+][C@@H](C)c2ccc(C)c(C)c2[O-])c1 ZINC000273405984 456228625 /nfs/dbraw/zinc/22/86/25/456228625.db2.gz OMZAKWPZULYBFJ-KBXCAEBGSA-N 0 3 345.439 3.410 20 10 EGCDHN COc1cc(OC)c(CC[NH2+][C@H]2CCc3cccc([O-])c32)c(OC)c1 ZINC000297497787 456235888 /nfs/dbraw/zinc/23/58/88/456235888.db2.gz BRSDBBSOYDUTIC-INIZCTEOSA-N 0 3 343.423 3.238 20 10 EGCDHN COc1cc(OC)c(CC[NH2+][C@@H]2CCc3cccc([O-])c32)c(OC)c1 ZINC000297497791 456236789 /nfs/dbraw/zinc/23/67/89/456236789.db2.gz BRSDBBSOYDUTIC-MRXNPFEDSA-N 0 3 343.423 3.238 20 10 EGCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CCN(C3CCCC3)CC2)c1 ZINC000273587811 456239630 /nfs/dbraw/zinc/23/96/30/456239630.db2.gz OFIQUJOBOVSGBC-AWEZNQCLSA-N 0 3 346.471 3.236 20 10 EGCDHN COC(=O)c1ccc([O-])c([C@H](C)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000273587811 456239633 /nfs/dbraw/zinc/23/96/33/456239633.db2.gz OFIQUJOBOVSGBC-AWEZNQCLSA-N 0 3 346.471 3.236 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)CC(=O)N3C)c1 ZINC000273624098 456242091 /nfs/dbraw/zinc/24/20/91/456242091.db2.gz ZVGCAPMNSIIUPA-STQMWFEESA-N 0 3 340.423 3.332 20 10 EGCDHN Cc1cc(Cl)cc(C[NH2+][C@H]2CCCO[C@@H]2c2nccn2C)c1[O-] ZINC000275543832 456277320 /nfs/dbraw/zinc/27/73/20/456277320.db2.gz MUXJOZDVCBGQME-HOCLYGCPSA-N 0 3 335.835 3.097 20 10 EGCDHN CCCOc1ccc(C[N@@H+]2CCC[C@H]2CN(C(C)=O)C2CC2)c([O-])c1 ZINC000275796785 456317177 /nfs/dbraw/zinc/31/71/77/456317177.db2.gz SNVKEJONFDXQNC-SFHVURJKSA-N 0 3 346.471 3.156 20 10 EGCDHN CCCOc1ccc(C[N@H+]2CCC[C@H]2CN(C(C)=O)C2CC2)c([O-])c1 ZINC000275796785 456317186 /nfs/dbraw/zinc/31/71/86/456317186.db2.gz SNVKEJONFDXQNC-SFHVURJKSA-N 0 3 346.471 3.156 20 10 EGCDHN CC(C)(C)OC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3[O-])C[C@@H]2C1 ZINC000290980352 456486381 /nfs/dbraw/zinc/48/63/81/456486381.db2.gz UAOYXIYKSGOKPU-GDBMZVCRSA-N 0 3 332.444 3.081 20 10 EGCDHN CC(C)(C)OC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3[O-])C[C@@H]2C1 ZINC000290980352 456486388 /nfs/dbraw/zinc/48/63/88/456486388.db2.gz UAOYXIYKSGOKPU-GDBMZVCRSA-N 0 3 332.444 3.081 20 10 EGCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@H]1CCN(CC(F)(F)F)C1=O ZINC000282488745 456529764 /nfs/dbraw/zinc/52/97/64/456529764.db2.gz PPLOWLGHEZOPHG-AWEZNQCLSA-N 0 3 344.377 3.158 20 10 EGCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@H]1CCN(CC(F)(F)F)C1=O ZINC000282488745 456529768 /nfs/dbraw/zinc/52/97/68/456529768.db2.gz PPLOWLGHEZOPHG-AWEZNQCLSA-N 0 3 344.377 3.158 20 10 EGCDHN O=C(NCc1ccccc1O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000299468817 456702510 /nfs/dbraw/zinc/70/25/10/456702510.db2.gz CEYQHUSMLKPRCG-SFHVURJKSA-N 0 3 339.439 3.029 20 10 EGCDHN COc1cccc(C[N@@H+]2CCC[C@H]2CNc2cccc(C)n2)c1[O-] ZINC000362086133 458029119 /nfs/dbraw/zinc/02/91/19/458029119.db2.gz KROWDIROXACGSY-INIZCTEOSA-N 0 3 327.428 3.181 20 10 EGCDHN COc1cccc(C[N@H+]2CCC[C@H]2CNc2cccc(C)n2)c1[O-] ZINC000362086133 458029125 /nfs/dbraw/zinc/02/91/25/458029125.db2.gz KROWDIROXACGSY-INIZCTEOSA-N 0 3 327.428 3.181 20 10 EGCDHN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](CC(C)C)CN(C)C ZINC000471648305 458707862 /nfs/dbraw/zinc/70/78/62/458707862.db2.gz LFJXYSAZYQQXLQ-INIZCTEOSA-N 0 3 344.503 3.262 20 10 EGCDHN Cc1c2ccccc2n(C)c1CNC[C@@H](O)COCc1ccccc1 ZINC000515467530 458809728 /nfs/dbraw/zinc/80/97/28/458809728.db2.gz BLCLOLIKTKXDRU-GOSISDBHSA-N 0 3 338.451 3.154 20 10 EGCDHN Cc1ccc(O)c(CN[C@H]2CCN(c3ccc(Cl)cc3F)C2=O)c1 ZINC000527796126 459738508 /nfs/dbraw/zinc/73/85/08/459738508.db2.gz IZEYWSGLQNGTJY-HNNXBMFYSA-N 0 3 348.805 3.388 20 10 EGCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCC3(CCCC3)CC2)cc1 ZINC000738343572 574592155 /nfs/dbraw/zinc/59/21/55/574592155.db2.gz PUGALCGNKHZTAC-UHFFFAOYSA-N 0 3 343.515 3.367 20 10 EGCDHN COc1ccc(N2CCC(NCc3cnc4ccccc4n3)CC2)cc1 ZINC000727644851 574680384 /nfs/dbraw/zinc/68/03/84/574680384.db2.gz VMBIMVUJBZGJOS-UHFFFAOYSA-N 0 3 348.450 3.397 20 10 EGCDHN O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cc([O-])cs1 ZINC000731872331 575214157 /nfs/dbraw/zinc/21/41/57/575214157.db2.gz FNTNINCNQDBXOB-GFCCVEGCSA-N 0 3 336.482 3.157 20 10 EGCDHN O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cc([O-])cs1 ZINC000731872331 575214161 /nfs/dbraw/zinc/21/41/61/575214161.db2.gz FNTNINCNQDBXOB-GFCCVEGCSA-N 0 3 336.482 3.157 20 10 EGCDHN CCOCCN1CCN(Cc2cc(C)cc(C(C)(C)C)c2O)CC1 ZINC000732181101 575241771 /nfs/dbraw/zinc/24/17/71/575241771.db2.gz XSDKKCQCCAEADY-UHFFFAOYSA-N 0 3 334.504 3.152 20 10 EGCDHN CCOc1cccc(CN[C@@H]2CCOc3c(OC)cccc32)c1O ZINC000733332377 575329118 /nfs/dbraw/zinc/32/91/18/575329118.db2.gz VEZFDEZSRDGRTR-OAHLLOKOSA-N 0 3 329.396 3.413 20 10 EGCDHN CC(C)[C@H](NCc1ccc(N2CCCCC2)cc1)C(=O)N1CCCC1 ZINC000733800093 575398163 /nfs/dbraw/zinc/39/81/63/575398163.db2.gz GYIPBGZEWPXCAB-FQEVSTJZSA-N 0 3 343.515 3.414 20 10 EGCDHN COc1ccc(O)c(CNCc2cc3c(cc2OC)C[C@@H](C)O3)c1 ZINC000734003530 575421438 /nfs/dbraw/zinc/42/14/38/575421438.db2.gz NFZOECUSYMKABK-GFCCVEGCSA-N 0 3 329.396 3.023 20 10 EGCDHN CCN(Cc1ccccc1)c1ccc(CNCC(=O)NC(C)C)cc1 ZINC000061016612 1291957306 /nfs/dbraw/zinc/95/73/06/1291957306.db2.gz RDTUSGORQKVBKT-UHFFFAOYSA-N 0 3 339.483 3.327 20 10 EGCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NCc1ccccc1 ZINC000076074261 1292418611 /nfs/dbraw/zinc/41/86/11/1292418611.db2.gz IYCKBPIFYKKDMX-MRXNPFEDSA-N 0 3 326.440 3.309 20 10 EGCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NCc1ccccc1 ZINC000076074261 1292418616 /nfs/dbraw/zinc/41/86/16/1292418616.db2.gz IYCKBPIFYKKDMX-MRXNPFEDSA-N 0 3 326.440 3.309 20 10 EGCDHN O=C1[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCCN1c1ccccc1F ZINC000834693189 1293132524 /nfs/dbraw/zinc/13/25/24/1293132524.db2.gz LWFIOKMONQVBJS-HZPDHXFCSA-N 0 3 340.398 3.304 20 10 EGCDHN Cc1ccc(CC[NH2+]Cc2cc(Br)cc(C)c2[O-])nc1 ZINC000835064521 1293197798 /nfs/dbraw/zinc/19/77/98/1293197798.db2.gz FWOHAPCRHKUBJT-UHFFFAOYSA-N 0 3 335.245 3.499 20 10 EGCDHN CC[N@@H+](Cc1cc(Br)cc(C)c1[O-])C[C@@H]1CCCO1 ZINC000124566591 1293478876 /nfs/dbraw/zinc/47/88/76/1293478876.db2.gz MPMDKVJTLQXACW-AWEZNQCLSA-N 0 3 328.250 3.464 20 10 EGCDHN CC[N@H+](Cc1cc(Br)cc(C)c1[O-])C[C@@H]1CCCO1 ZINC000124566591 1293478879 /nfs/dbraw/zinc/47/88/79/1293478879.db2.gz MPMDKVJTLQXACW-AWEZNQCLSA-N 0 3 328.250 3.464 20 10 EGCDHN CC(C)[C@@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)N(C)C ZINC000129720281 1293632127 /nfs/dbraw/zinc/63/21/27/1293632127.db2.gz FKGXHXBCJUNYNS-IBGZPJMESA-N 0 3 331.504 3.222 20 10 EGCDHN CC[C@H]([NH2+]CCCNC(=O)c1cccc(F)c1)c1ccccc1[O-] ZINC000156525768 1294147471 /nfs/dbraw/zinc/14/74/71/1294147471.db2.gz WUFPMTMOMDMSQR-KRWDZBQOSA-N 0 3 330.403 3.392 20 10 EGCDHN CCN(C)c1ccc([C@H](C)N[C@@H](C)C(=O)NCc2ccccc2)cc1 ZINC000161186284 1294286266 /nfs/dbraw/zinc/28/62/66/1294286266.db2.gz TXDVDVQDDBFATI-IRXDYDNUSA-N 0 3 339.483 3.498 20 10 EGCDHN COC(=O)C[C@@H]1CCC[N@@H+]1Cc1c([O-])ccc2ccc(OC)cc21 ZINC000178776307 1294755237 /nfs/dbraw/zinc/75/52/37/1294755237.db2.gz FZHNHVHEPKUWNA-AWEZNQCLSA-N 0 3 329.396 3.082 20 10 EGCDHN COC(=O)C[C@@H]1CCC[N@H+]1Cc1c([O-])ccc2ccc(OC)cc21 ZINC000178776307 1294755246 /nfs/dbraw/zinc/75/52/46/1294755246.db2.gz FZHNHVHEPKUWNA-AWEZNQCLSA-N 0 3 329.396 3.082 20 10 EGCDHN COc1ccc(N2CCCN(CCC(=O)c3ccccc3)CC2)cc1 ZINC000182068329 1295016700 /nfs/dbraw/zinc/01/67/00/1295016700.db2.gz GHTOIJRPRMBQEX-UHFFFAOYSA-N 0 3 338.451 3.480 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2cccc(C)c2C)c1 ZINC000182319821 1295035550 /nfs/dbraw/zinc/03/55/50/1295035550.db2.gz LDBSFBWUQHHOLX-AWEZNQCLSA-N 0 3 328.412 3.307 20 10 EGCDHN CCOc1ccccc1NC(=O)CN[C@H](C)c1cc(OC)ccc1O ZINC000182431720 1295047469 /nfs/dbraw/zinc/04/74/69/1295047469.db2.gz NSCWMBOBORCRJA-CYBMUJFWSA-N 0 3 344.411 3.089 20 10 EGCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2cc(C)ccc2OC)c1 ZINC000182462633 1295050779 /nfs/dbraw/zinc/05/07/79/1295050779.db2.gz KQIVQQSXVOSFCW-CYBMUJFWSA-N 0 3 344.411 3.007 20 10 EGCDHN Cc1ccc(O)c([C@@H](C)NCC(=O)Nc2ccc(F)c(F)c2F)c1 ZINC000184865086 1295225097 /nfs/dbraw/zinc/22/50/97/1295225097.db2.gz WYHXTWGCNKNHAH-SNVBAGLBSA-N 0 3 338.329 3.407 20 10 EGCDHN C[C@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1cc(F)ccc1[O-] ZINC000184954379 1295230548 /nfs/dbraw/zinc/23/05/48/1295230548.db2.gz OVNDXFKIITUXHJ-ZDUSSCGKSA-N 0 3 326.375 3.022 20 10 EGCDHN CCOC(=O)N[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])CC(C)C ZINC000184949712 1295231183 /nfs/dbraw/zinc/23/11/83/1295231183.db2.gz SYFJRKTWEBKOPE-JSGCOSHPSA-N 0 3 326.412 3.343 20 10 EGCDHN [O-]c1ccccc1C[NH2+]Cc1cccc(I)c1 ZINC000380102051 1297542988 /nfs/dbraw/zinc/54/29/88/1297542988.db2.gz XNCRPVAVAZNVJS-UHFFFAOYSA-N 0 3 339.176 3.287 20 10 EGCDHN CC[NH+](CC)[C@H]1CCN(Cc2c([O-])cccc2Br)C1 ZINC000707129846 1298226041 /nfs/dbraw/zinc/22/60/41/1298226041.db2.gz URALPBHBRFQKRR-LBPRGKRZSA-N 0 3 327.266 3.071 20 10 EGCDHN O=C(NCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])c1ccco1 ZINC000725844445 1298371581 /nfs/dbraw/zinc/37/15/81/1298371581.db2.gz XHMYEROLQBSVGQ-UHFFFAOYSA-N 0 3 336.391 3.172 20 10 EGCDHN CCOc1cccc(CN[C@H](CC(=O)N(C)C)c2ccccc2)c1O ZINC000725846958 1298374808 /nfs/dbraw/zinc/37/48/08/1298374808.db2.gz ZUCRJNAFDMJEEN-QGZVFWFLSA-N 0 3 342.439 3.100 20 10 EGCDHN OC1CCN(c2ccc(CN3CCC(C(F)(F)F)CC3)cc2)CC1 ZINC000876563543 1298829623 /nfs/dbraw/zinc/82/96/23/1298829623.db2.gz AEESTHRTWJMQAU-UHFFFAOYSA-N 0 3 342.405 3.422 20 10 EGCDHN Cc1ccc(C[N@H+]2C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]2C)c([O-])c1 ZINC000876815244 1299009045 /nfs/dbraw/zinc/00/90/45/1299009045.db2.gz VVGPUIGMNXLBAF-HUUCEWRRSA-N 0 3 334.460 3.436 20 10 EGCDHN Cc1ccc(C[N@@H+]2C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]2C)c([O-])c1 ZINC000876815244 1299009053 /nfs/dbraw/zinc/00/90/53/1299009053.db2.gz VVGPUIGMNXLBAF-HUUCEWRRSA-N 0 3 334.460 3.436 20 10 EGCDHN CCc1ccc([C@@H](CNC(=O)NCc2ccccc2O)N(C)C)cc1 ZINC000748463466 1299014991 /nfs/dbraw/zinc/01/49/91/1299014991.db2.gz RTOWGDBHYRLBME-GOSISDBHSA-N 0 3 341.455 3.057 20 10 EGCDHN Cc1cccc([O-])c1C[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000877416864 1299287780 /nfs/dbraw/zinc/28/77/80/1299287780.db2.gz NBDPWMHOJWQRRL-UHFFFAOYSA-N 0 3 326.444 3.008 20 10 EGCDHN CC1(C)CN(Cc2ccc(N3CCC(O)CC3)cc2)[C@@H]1[C@@H]1CCCO1 ZINC000877540082 1299383096 /nfs/dbraw/zinc/38/30/96/1299383096.db2.gz ROITUWQRUVHQCH-VQTJNVASSA-N 0 3 344.499 3.037 20 10 EGCDHN CO[C@](C)(C[NH2+]Cc1ccc(C)cc1[O-])COCc1ccccc1 ZINC000877623884 1299439619 /nfs/dbraw/zinc/43/96/19/1299439619.db2.gz CTBQRNMBHIZUCN-HXUWFJFHSA-N 0 3 329.440 3.412 20 10 EGCDHN C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@H](C)c1ccccc1[O-] ZINC000877755616 1299531176 /nfs/dbraw/zinc/53/11/76/1299531176.db2.gz IGZKLJWFWYEKTM-HUUCEWRRSA-N 0 3 342.439 3.389 20 10 EGCDHN C[C@H]1C[C@H]([NH2+]Cc2cccnc2-n2cccn2)c2c1c(F)ccc2[O-] ZINC000756393314 1300482923 /nfs/dbraw/zinc/48/29/23/1300482923.db2.gz NDKVOLBUOJZJDN-WFASDCNBSA-N 0 3 338.386 3.450 20 10 EGCDHN Cc1ccc(C(=O)NCC[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)cc1 ZINC000756446490 1300493351 /nfs/dbraw/zinc/49/33/51/1300493351.db2.gz QRGBYMQVJMCLHO-CZUORRHYSA-N 0 3 342.414 3.408 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2c(C)cccc2C)c([O-])c1 ZINC000756457063 1300495933 /nfs/dbraw/zinc/49/59/33/1300495933.db2.gz GCSOWLMHRXGSEF-DLBZAZTESA-N 0 3 329.440 3.408 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)c2c1c(F)ccc2[O-] ZINC000756655527 1300542626 /nfs/dbraw/zinc/54/26/26/1300542626.db2.gz QNEQLOJWPIWBRD-XNRPHZJLSA-N 0 3 346.446 3.460 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+][C@@H](CO)Cc2ccc(F)cc2)c2c1c(F)ccc2[O-] ZINC000756774926 1300563906 /nfs/dbraw/zinc/56/39/06/1300563906.db2.gz MKMPNODYAPOROB-DJSGYFEHSA-N 0 3 333.378 3.412 20 10 EGCDHN Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649170 1300649550 /nfs/dbraw/zinc/64/95/50/1300649550.db2.gz NHVPLEHRVVLEMY-HZPDHXFCSA-N 0 3 326.440 3.398 20 10 EGCDHN C[C@@H]([NH2+]C[C@H](O)CO[C@@H]1CCCc2ccccc21)c1ccccc1[O-] ZINC000879649293 1300650136 /nfs/dbraw/zinc/65/01/36/1300650136.db2.gz PXVNOFUSYNMFDO-LDBYXDLTSA-N 0 3 341.451 3.498 20 10 EGCDHN CCC[C@H](N)c1cn(Cc2ccc(N3CCCCC3)c(C)c2)nn1 ZINC000881379315 1301547900 /nfs/dbraw/zinc/54/79/00/1301547900.db2.gz OJQOLLYJUFEVQM-KRWDZBQOSA-N 0 3 327.476 3.425 20 10 EGCDHN C[C@@H](NCC(=O)Nc1ccc(F)c(F)c1)c1ccc(N(C)C)cc1 ZINC000764601719 1302099007 /nfs/dbraw/zinc/09/90/07/1302099007.db2.gz ZNJMEUGLQDYOKG-GFCCVEGCSA-N 0 3 333.382 3.320 20 10 EGCDHN CN1CCN(c2ccc(CNCc3cc(F)ccc3F)cc2)CC1 ZINC000883283951 1302362684 /nfs/dbraw/zinc/36/26/84/1302362684.db2.gz ZXYNNEWQPUPBKZ-UHFFFAOYSA-N 0 3 331.410 3.006 20 10 EGCDHN CCOc1ccc(O)c(CN2CCN(CCc3cccs3)CC2)c1 ZINC000768359038 1302887417 /nfs/dbraw/zinc/88/74/17/1302887417.db2.gz ZVJHMJPSYYFSBA-UHFFFAOYSA-N 0 3 346.496 3.213 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]1Cc1ccccc1)[C@H](O)CO2 ZINC000768442437 1302903400 /nfs/dbraw/zinc/90/34/00/1302903400.db2.gz WBINOIYJAFWCSY-QFBILLFUSA-N 0 3 325.408 3.025 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]1Cc1ccccc1)[C@H](O)CO2 ZINC000768442437 1302903405 /nfs/dbraw/zinc/90/34/05/1302903405.db2.gz WBINOIYJAFWCSY-QFBILLFUSA-N 0 3 325.408 3.025 20 10 EGCDHN CCCCO[C@@H]1C[C@H]([N@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)C1(C)C ZINC000768464452 1302912055 /nfs/dbraw/zinc/91/20/55/1302912055.db2.gz RVIPWMDWDFWFQZ-NZSAHSFTSA-N 0 3 349.471 3.234 20 10 EGCDHN CCCCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)C1(C)C ZINC000768464452 1302912061 /nfs/dbraw/zinc/91/20/61/1302912061.db2.gz RVIPWMDWDFWFQZ-NZSAHSFTSA-N 0 3 349.471 3.234 20 10 EGCDHN COc1ccccc1OCCN(C)Cc1ccc(N(C)C)c(F)c1 ZINC000768822201 1302987066 /nfs/dbraw/zinc/98/70/66/1302987066.db2.gz FVQIPPRJUFSXKJ-UHFFFAOYSA-N 0 3 332.419 3.411 20 10 EGCDHN COc1cccc([O-])c1C[NH+]1CCC(CC(=O)NC2CCCC2)CC1 ZINC000769110307 1303049958 /nfs/dbraw/zinc/04/99/58/1303049958.db2.gz CAXPSRVALYIMSR-UHFFFAOYSA-N 0 3 346.471 3.062 20 10 EGCDHN CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(OCC)cc2[O-])C1 ZINC000769210853 1303071902 /nfs/dbraw/zinc/07/19/02/1303071902.db2.gz UIUJRBPBNMEUSP-WBVHZDCISA-N 0 3 348.487 3.308 20 10 EGCDHN CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(OCC)cc2[O-])C1 ZINC000769210853 1303071907 /nfs/dbraw/zinc/07/19/07/1303071907.db2.gz UIUJRBPBNMEUSP-WBVHZDCISA-N 0 3 348.487 3.308 20 10 EGCDHN C[C@@H](O)C[C@@H]1CCCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000769450955 1303116213 /nfs/dbraw/zinc/11/62/13/1303116213.db2.gz JXYVUVOPDVKQIO-WBVHZDCISA-N 0 3 347.459 3.320 20 10 EGCDHN CCOc1ccc(CN2C[C@@H](CC)N(C(C)=O)C[C@H]2CC)c(O)c1 ZINC000769495283 1303127148 /nfs/dbraw/zinc/12/71/48/1303127148.db2.gz DNZUPAZVPGJDME-IAGOWNOFSA-N 0 3 334.460 3.012 20 10 EGCDHN CCOc1ccc(C[N@@H+]2C[C@@H](CC)N(C(C)=O)C[C@H]2CC)c([O-])c1 ZINC000769495283 1303127153 /nfs/dbraw/zinc/12/71/53/1303127153.db2.gz DNZUPAZVPGJDME-IAGOWNOFSA-N 0 3 334.460 3.012 20 10 EGCDHN CCOc1ccc(C[N@H+]2C[C@@H](CC)N(C(C)=O)C[C@H]2CC)c([O-])c1 ZINC000769495283 1303127158 /nfs/dbraw/zinc/12/71/58/1303127158.db2.gz DNZUPAZVPGJDME-IAGOWNOFSA-N 0 3 334.460 3.012 20 10 EGCDHN COC(=O)c1ccc2c(c1)CN(Cc1cc(C)c(C)cc1O)CC2 ZINC000770651100 1303299556 /nfs/dbraw/zinc/29/95/56/1303299556.db2.gz IWTDCDWLKYQMIK-UHFFFAOYSA-N 0 3 325.408 3.354 20 10 EGCDHN COC(=O)c1ccc2c(c1)CN(Cc1cc(C)cc(C)c1O)CC2 ZINC000770651809 1303300160 /nfs/dbraw/zinc/30/01/60/1303300160.db2.gz OWTVLJBMJQWMGJ-UHFFFAOYSA-N 0 3 325.408 3.354 20 10 EGCDHN CN(C)c1ccc(CN(C)Cc2ccc(-n3cncn3)c(F)c2)cc1 ZINC000771933098 1303463259 /nfs/dbraw/zinc/46/32/59/1303463259.db2.gz DMRCYDNDAQZESF-UHFFFAOYSA-N 0 3 339.418 3.104 20 10 EGCDHN COc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000774479631 1303814714 /nfs/dbraw/zinc/81/47/14/1303814714.db2.gz RFVRHNQJJUFVBG-LSDHHAIUSA-N 0 3 341.455 3.439 20 10 EGCDHN COc1ccccc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774481219 1303814778 /nfs/dbraw/zinc/81/47/78/1303814778.db2.gz AHEIEAPKDAPROC-GJZGRUSLSA-N 0 3 341.455 3.439 20 10 EGCDHN CC[C@H]([NH2+]Cc1cccc(NC(=O)COC)c1)c1ccccc1[O-] ZINC000775486231 1303972205 /nfs/dbraw/zinc/97/22/05/1303972205.db2.gz COERAGJVJCJGNV-KRWDZBQOSA-N 0 3 328.412 3.218 20 10 EGCDHN C[C@@H](NCC(=O)NCc1cccc(Cl)c1)c1ccc(N(C)C)cc1 ZINC000775837399 1304047933 /nfs/dbraw/zinc/04/79/33/1304047933.db2.gz SCPFNRFRABFMCU-CQSZACIVSA-N 0 3 345.874 3.373 20 10 EGCDHN CCN(CC)CC[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000779005784 1304516924 /nfs/dbraw/zinc/51/69/24/1304516924.db2.gz KRSRRCKXNHNTJL-GFCCVEGCSA-N 0 3 329.282 3.456 20 10 EGCDHN CN(C[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1[O-])C(=O)OC(C)(C)C ZINC000779034109 1304520907 /nfs/dbraw/zinc/52/09/07/1304520907.db2.gz VRBDFAJJJVTXIP-HNNXBMFYSA-N 0 3 338.423 3.363 20 10 EGCDHN CN(C[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1[O-])C(=O)OC(C)(C)C ZINC000779034109 1304520910 /nfs/dbraw/zinc/52/09/10/1304520910.db2.gz VRBDFAJJJVTXIP-HNNXBMFYSA-N 0 3 338.423 3.363 20 10 EGCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000779099867 1304528940 /nfs/dbraw/zinc/52/89/40/1304528940.db2.gz CRMRPURKHPPLEH-AWEZNQCLSA-N 0 3 329.293 3.373 20 10 EGCDHN COc1cc(CN2CCC[C@@](OC)(C(F)(F)F)C2)c(O)cc1C ZINC000780493833 1304700158 /nfs/dbraw/zinc/70/01/58/1304700158.db2.gz KEQLOBYRALHCJK-HNNXBMFYSA-N 0 3 333.350 3.253 20 10 EGCDHN C[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cccs1 ZINC000891251527 1305000331 /nfs/dbraw/zinc/00/03/31/1305000331.db2.gz FYIDPXFEEKETNF-PBHICJAKSA-N 0 3 345.512 3.337 20 10 EGCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cc(F)ccc2F)N(C)C)cc1 ZINC000891255280 1305001915 /nfs/dbraw/zinc/00/19/15/1305001915.db2.gz OIQDIELHJNJTHA-GOSISDBHSA-N 0 3 347.409 3.064 20 10 EGCDHN COC1CCN(C2(C[NH2+][C@@H](C)c3ccccc3[O-])CCCC2)CC1 ZINC000783510688 1305100787 /nfs/dbraw/zinc/10/07/87/1305100787.db2.gz ROUGFNHADBBFMS-INIZCTEOSA-N 0 3 332.488 3.466 20 10 EGCDHN C[C@H]([NH2+][C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1)c1ccccc1[O-] ZINC000783513241 1305101359 /nfs/dbraw/zinc/10/13/59/1305101359.db2.gz JSELGCAXXXBILT-XGHQBKJUSA-N 0 3 340.467 3.332 20 10 EGCDHN C[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)c1cc(Br)ccc1[O-] ZINC000783647334 1305122264 /nfs/dbraw/zinc/12/22/64/1305122264.db2.gz JYFSGLPESBFFPR-GLQYFDAESA-N 0 3 339.277 3.432 20 10 EGCDHN CCOc1cccc(CN2CCC[C@@](OC)(C(F)(F)F)C2)c1O ZINC000783716492 1305131379 /nfs/dbraw/zinc/13/13/79/1305131379.db2.gz ADZINQHJVGENRK-HNNXBMFYSA-N 0 3 333.350 3.334 20 10 EGCDHN Cc1cc(N2CCC([NH2+][C@@H]3C[C@H](C)c4c3c([O-])ccc4F)CC2)n[nH]1 ZINC000784056413 1305183703 /nfs/dbraw/zinc/18/37/03/1305183703.db2.gz LLIYUALDVFWCDK-XHDPSFHLSA-N 0 3 344.434 3.370 20 10 EGCDHN [O-]c1ccccc1C[N@H+](Cc1cnc2n1CCOC2)C1CCCC1 ZINC000892011952 1305228690 /nfs/dbraw/zinc/22/86/90/1305228690.db2.gz IUHRWRHIYOZIQO-UHFFFAOYSA-N 0 3 327.428 3.064 20 10 EGCDHN [O-]c1ccccc1C[N@@H+](Cc1cnc2n1CCOC2)C1CCCC1 ZINC000892011952 1305228694 /nfs/dbraw/zinc/22/86/94/1305228694.db2.gz IUHRWRHIYOZIQO-UHFFFAOYSA-N 0 3 327.428 3.064 20 10 EGCDHN CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(OC)c(OC)c2[O-])C12CCC2 ZINC000892230147 1305287894 /nfs/dbraw/zinc/28/78/94/1305287894.db2.gz WCBNXFLLAXZIIB-JKSUJKDBSA-N 0 3 335.444 3.189 20 10 EGCDHN CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(OC)c(OC)c2[O-])C12CCC2 ZINC000892230147 1305287900 /nfs/dbraw/zinc/28/79/00/1305287900.db2.gz WCBNXFLLAXZIIB-JKSUJKDBSA-N 0 3 335.444 3.189 20 10 EGCDHN CCOc1ccc(O)c(CN2CCC[C@@H](Oc3ncccc3F)C2)c1 ZINC000787291697 1305727719 /nfs/dbraw/zinc/72/77/19/1305727719.db2.gz VZPLXJVBARVLIY-MRXNPFEDSA-N 0 3 346.402 3.368 20 10 EGCDHN CC1CCN(c2ccc(CNC(=O)[C@@H]3CCCN3C3CC3)cc2)CC1 ZINC000787333051 1305734025 /nfs/dbraw/zinc/73/40/25/1305734025.db2.gz VAVWDUWBYCMFDC-FQEVSTJZSA-N 0 3 341.499 3.166 20 10 EGCDHN C[C@@]1(CO)CCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000789557470 1306184947 /nfs/dbraw/zinc/18/49/47/1306184947.db2.gz IOHPMZVKGXHJTB-FQEVSTJZSA-N 0 3 327.424 3.318 20 10 EGCDHN C[C@@]1(CO)CCC[N@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000789557470 1306184951 /nfs/dbraw/zinc/18/49/51/1306184951.db2.gz IOHPMZVKGXHJTB-FQEVSTJZSA-N 0 3 327.424 3.318 20 10 EGCDHN CCCNC(=O)c1cccc(CNCc2cc(C)cc(OC)c2O)c1 ZINC000894185651 1306266168 /nfs/dbraw/zinc/26/61/68/1306266168.db2.gz BZVNBJFLRBDRPM-UHFFFAOYSA-N 0 3 342.439 3.139 20 10 EGCDHN COc1ccc(C[NH2+][C@H]2C[C@@H](C)CN(Cc3ccccc3)C2)c([O-])c1 ZINC000793389130 1309362250 /nfs/dbraw/zinc/36/22/50/1309362250.db2.gz WZQXVJUPXYSJCD-APWZRJJASA-N 0 3 340.467 3.401 20 10 EGCDHN CCOc1ccc(C[NH2+][C@]2(CO)CCCc3ccccc32)c([O-])c1 ZINC000799345006 1310532042 /nfs/dbraw/zinc/53/20/42/1310532042.db2.gz OCGMGYOTSIFOQT-FQEVSTJZSA-N 0 3 327.424 3.105 20 10 EGCDHN COCC1(C[NH2+]Cc2cc(Br)cc(OC)c2[O-])CCC1 ZINC000800276488 1310716884 /nfs/dbraw/zinc/71/68/84/1310716884.db2.gz BBUGCHVCPRLLLE-UHFFFAOYSA-N 0 3 344.249 3.070 20 10 EGCDHN COc1cccc([O-])c1C[NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C ZINC000824501475 1320262210 /nfs/dbraw/zinc/26/22/10/1320262210.db2.gz LVIUJDIBJTWBPL-ZDUSSCGKSA-N 0 3 338.448 3.184 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](O)c2cc(C)cc(C)c2)c1[O-] ZINC000802656697 1317023113 /nfs/dbraw/zinc/02/31/13/1317023113.db2.gz OIXXJOPJBRJTFC-MRXNPFEDSA-N 0 3 335.831 3.494 20 10 EGCDHN CCC[C@@H](C[NH2+]Cc1cc(Br)cc(OC)c1[O-])OCC ZINC000858209980 1328711953 /nfs/dbraw/zinc/71/19/53/1328711953.db2.gz DQJFODNSOTXPJQ-ZDUSSCGKSA-N 0 3 346.265 3.458 20 10 EGCDHN CN(Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000809693337 1317866714 /nfs/dbraw/zinc/86/67/14/1317866714.db2.gz TTWFEADJAYYBEY-MRXNPFEDSA-N 0 3 333.432 3.196 20 10 EGCDHN COc1cccc(CNCc2ccnn2-c2ccc(F)cc2)c1O ZINC000809739944 1317885482 /nfs/dbraw/zinc/88/54/82/1317885482.db2.gz HKJVPOUSJAEAQN-UHFFFAOYSA-N 0 3 327.359 3.015 20 10 EGCDHN CC[C@@H]1CN(Cc2ccc(N(C)C)c(C)c2)[C@@H](CC)CN1C(C)=O ZINC000815056052 1318876632 /nfs/dbraw/zinc/87/66/32/1318876632.db2.gz ZOFSMJVQPGQVIH-RBUKOAKNSA-N 0 3 331.504 3.282 20 10 EGCDHN CCCNC(=O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815553722 1319014650 /nfs/dbraw/zinc/01/46/50/1319014650.db2.gz IFFVXXNWDLTIHM-SFHVURJKSA-N 0 3 326.440 3.182 20 10 EGCDHN CO[C@]1(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])CCOC1 ZINC000815616284 1319029465 /nfs/dbraw/zinc/02/94/65/1319029465.db2.gz KOCXXWGTXHQPNZ-FPOVZHCZSA-N 0 3 341.451 3.461 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+]C[C@]2(O)CCCC2(C)C)c1[O-] ZINC000816641561 1319199098 /nfs/dbraw/zinc/19/90/98/1319199098.db2.gz WZKWYVXSTNFMLV-MRXNPFEDSA-N 0 3 342.277 3.494 20 10 EGCDHN COc1ccc(N2CC[C@@H](CN[C@H](C)c3cc4n(n3)CCC4)C2)cc1 ZINC000818341881 1319531101 /nfs/dbraw/zinc/53/11/01/1319531101.db2.gz IDAPGKXHRUNWQZ-CVEARBPZSA-N 0 3 340.471 3.015 20 10 EGCDHN C[C@H]([NH2+]CCNC(=O)CCCc1ccccc1)c1cc(F)ccc1[O-] ZINC000818352707 1319533325 /nfs/dbraw/zinc/53/33/25/1319533325.db2.gz OKKMVPKOWWIMEM-HNNXBMFYSA-N 0 3 344.430 3.321 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]CCNC(=O)CCCc2ccccc2)c([O-])c1 ZINC000818351991 1319533965 /nfs/dbraw/zinc/53/39/65/1319533965.db2.gz FMPSZVXNTLKXDR-QGZVFWFLSA-N 0 3 340.467 3.490 20 10 EGCDHN C[C@@H]([NH2+]CCNC(=O)CCCc1ccccc1)c1ccccc1[O-] ZINC000818353672 1319534024 /nfs/dbraw/zinc/53/40/24/1319534024.db2.gz XVABFRUTCJGTJA-MRXNPFEDSA-N 0 3 326.440 3.182 20 10 EGCDHN CCN(CC)c1ccc(CNC(=O)N(CCN(C)C)CC(C)C)cc1 ZINC000918228370 1319935736 /nfs/dbraw/zinc/93/57/36/1319935736.db2.gz ISYRLRFVZUFNKG-UHFFFAOYSA-N 0 3 348.535 3.262 20 10 EGCDHN CN(Cc1cccs1)c1ccc(CNCC2(C)OCCO2)cc1 ZINC000824032556 1320223935 /nfs/dbraw/zinc/22/39/35/1320223935.db2.gz SXYCVGAPXGNNLS-UHFFFAOYSA-N 0 3 332.469 3.237 20 10 EGCDHN Cc1cc([O-])c(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1Cl ZINC000824938178 1320297531 /nfs/dbraw/zinc/29/75/31/1320297531.db2.gz GSERLZCQAJWPSY-QGPMSJSTSA-N 0 3 338.879 3.038 20 10 EGCDHN C[N@H+](Cc1cc(F)ccc1[O-])C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000824935194 1320297749 /nfs/dbraw/zinc/29/77/49/1320297749.db2.gz COALXCWPMKYAHK-UHFFFAOYSA-N 0 3 338.423 3.411 20 10 EGCDHN C[N@@H+](Cc1cc(F)ccc1[O-])C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000824935194 1320297755 /nfs/dbraw/zinc/29/77/55/1320297755.db2.gz COALXCWPMKYAHK-UHFFFAOYSA-N 0 3 338.423 3.411 20 10 EGCDHN CCC1(C[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])COC1 ZINC000825079286 1320307990 /nfs/dbraw/zinc/30/79/90/1320307990.db2.gz QOFALRXUWNLXHZ-UHFFFAOYSA-N 0 3 327.424 3.487 20 10 EGCDHN Cc1cc([O-])c(C[NH2+]CC2(N3CCCC3)CCOCC2)cc1Cl ZINC000825246886 1320321260 /nfs/dbraw/zinc/32/12/60/1320321260.db2.gz JYGNRYUDVBIJBE-UHFFFAOYSA-N 0 3 338.879 3.089 20 10 EGCDHN N[C@H](CC1CCCCC1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000827007868 1320420571 /nfs/dbraw/zinc/42/05/71/1320420571.db2.gz FGBRXYRTENURTG-LJQANCHMSA-N 0 3 329.488 3.201 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C[C@H](CO)CC1CC1 ZINC000827359592 1320447952 /nfs/dbraw/zinc/44/79/52/1320447952.db2.gz QBOUDUUEMCBIDM-GOSISDBHSA-N 0 3 341.451 3.469 20 10 EGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCCc4c(cnn4C)C3)c2c1 ZINC000840172778 1321043481 /nfs/dbraw/zinc/04/34/81/1321043481.db2.gz FBNCOYCYLJAZJC-UHFFFAOYSA-N 0 3 337.423 3.236 20 10 EGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCCc4c(cnn4C)C3)c2c1 ZINC000840172778 1321043485 /nfs/dbraw/zinc/04/34/85/1321043485.db2.gz FBNCOYCYLJAZJC-UHFFFAOYSA-N 0 3 337.423 3.236 20 10 EGCDHN [O-]c1c(F)cccc1C[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000841074240 1321214129 /nfs/dbraw/zinc/21/41/29/1321214129.db2.gz VBPPJFSVYNNIPI-DOTOQJQBSA-N 0 3 332.394 3.153 20 10 EGCDHN CN1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(N)cc2)CC1 ZINC000841298558 1321249183 /nfs/dbraw/zinc/24/91/83/1321249183.db2.gz BGKMIKHRBKPLOT-UHFFFAOYSA-N 0 3 338.455 3.397 20 10 EGCDHN O=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc2c(c1)CNC2 ZINC000841332421 1321258262 /nfs/dbraw/zinc/25/82/62/1321258262.db2.gz PENLOBMJQDNIPS-UHFFFAOYSA-N 0 3 336.439 3.212 20 10 EGCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccc(N2CCNC2=O)cc1 ZINC000842899338 1321447816 /nfs/dbraw/zinc/44/78/16/1321447816.db2.gz DTMANKFVPYDTAS-KGLIPLIRSA-N 0 3 325.412 3.334 20 10 EGCDHN C[C@@H](NCc1cc(=O)n2ccccc2n1)c1cc2c(cc1O)CCCC2 ZINC000846213221 1321776894 /nfs/dbraw/zinc/77/68/94/1321776894.db2.gz HKWHKSOVJRNROH-CQSZACIVSA-N 0 3 349.434 3.130 20 10 EGCDHN C[NH+](C)C[C@H](CNC(=O)c1cc([O-])cs1)c1ccc(Cl)cc1 ZINC000846655279 1321799500 /nfs/dbraw/zinc/79/95/00/1321799500.db2.gz GRPLDJXGMFCCFS-LBPRGKRZSA-N 0 3 338.860 3.182 20 10 EGCDHN CN(C)C[C@H](CNC(=O)C1=CC(=O)CS1)c1ccc(Cl)cc1 ZINC000846655279 1321799502 /nfs/dbraw/zinc/79/95/02/1321799502.db2.gz GRPLDJXGMFCCFS-LBPRGKRZSA-N 0 3 338.860 3.182 20 10 EGCDHN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CNCC[C@@H]1c1cccc(F)c1 ZINC000849349864 1322116480 /nfs/dbraw/zinc/11/64/80/1322116480.db2.gz MBTFIJQRANSASH-IAGOWNOFSA-N 0 3 334.822 3.420 20 10 EGCDHN CCc1nc([C@@H](C)NCc2cc(OC)cc(C(C)(C)C)c2O)n[nH]1 ZINC000850228362 1322211029 /nfs/dbraw/zinc/21/10/29/1322211029.db2.gz PICZFNWSLMRQJM-LLVKDONJSA-N 0 3 332.448 3.230 20 10 EGCDHN O=C1CCCN1c1ccc(CNCc2ccc3c(c2)CCCO3)cc1 ZINC000921504015 1322331474 /nfs/dbraw/zinc/33/14/74/1322331474.db2.gz HEJLVFTWBVTYMN-UHFFFAOYSA-N 0 3 336.435 3.428 20 10 EGCDHN CCCC[N@H+](CCc1nc(C(C)=O)c(C)[nH]1)Cc1ccccc1[O-] ZINC000852019225 1323134159 /nfs/dbraw/zinc/13/41/59/1323134159.db2.gz VSZHRPVMMDXGJS-UHFFFAOYSA-N 0 3 329.444 3.471 20 10 EGCDHN CCCC[N@@H+](CCc1nc(C(C)=O)c(C)[nH]1)Cc1ccccc1[O-] ZINC000852019225 1323134163 /nfs/dbraw/zinc/13/41/63/1323134163.db2.gz VSZHRPVMMDXGJS-UHFFFAOYSA-N 0 3 329.444 3.471 20 10 EGCDHN C[C@@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000853241023 1325069872 /nfs/dbraw/zinc/06/98/72/1325069872.db2.gz RUAPBALNDVGKPP-HIFRSBDPSA-N 0 3 333.432 3.073 20 10 EGCDHN Cc1nccn1CCC[N@@H+](C)Cc1c([O-])cccc1Br ZINC000862367801 1329478422 /nfs/dbraw/zinc/47/84/22/1329478422.db2.gz VORGYCRZVUIDDL-UHFFFAOYSA-N 0 3 338.249 3.182 20 10 EGCDHN Cc1nccn1CCC[N@H+](C)Cc1c([O-])cccc1Br ZINC000862367801 1329478425 /nfs/dbraw/zinc/47/84/25/1329478425.db2.gz VORGYCRZVUIDDL-UHFFFAOYSA-N 0 3 338.249 3.182 20 10 EGCDHN C[C@@H](NC(=O)NC[C@@H](C)N(C)Cc1ccccc1)c1ccccc1O ZINC000868232365 1330263320 /nfs/dbraw/zinc/26/33/20/1330263320.db2.gz ICVCBBKKKWDUHL-HZPDHXFCSA-N 0 3 341.455 3.273 20 10 EGCDHN CC[N@H+](CCn1ccnc1)Cc1cc(Br)cc(C)c1[O-] ZINC001233110562 1376571309 /nfs/dbraw/zinc/57/13/09/1376571309.db2.gz FXSKVHCSSDNSSS-UHFFFAOYSA-N 0 3 338.249 3.182 20 10 EGCDHN CC[N@@H+](CCn1ccnc1)Cc1cc(Br)cc(C)c1[O-] ZINC001233110562 1376571315 /nfs/dbraw/zinc/57/13/15/1376571315.db2.gz FXSKVHCSSDNSSS-UHFFFAOYSA-N 0 3 338.249 3.182 20 10 EGCDHN c1csc(N2CCCN(Cc3ccc(N4CCCC4)cc3)CC2)n1 ZINC001323302798 1387329278 /nfs/dbraw/zinc/32/92/78/1387329278.db2.gz GUCMECOSBXBOIG-UHFFFAOYSA-N 0 3 342.512 3.456 20 10 EGCDHN CC(C)(C)OC(=O)N1CC[C@]2(CCC[N@@H+]2Cc2ccccc2[O-])C1 ZINC001203550557 1370166156 /nfs/dbraw/zinc/16/61/56/1370166156.db2.gz ZIBGCOOOTZZECY-LJQANCHMSA-N 0 3 332.444 3.368 20 10 EGCDHN CC(C)(C)OC(=O)N1CC[C@]2(CCC[N@H+]2Cc2ccccc2[O-])C1 ZINC001203550557 1370166159 /nfs/dbraw/zinc/16/61/59/1370166159.db2.gz ZIBGCOOOTZZECY-LJQANCHMSA-N 0 3 332.444 3.368 20 10 EGCDHN O=C1N(c2ccsc2)CC[C@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001203551663 1370166838 /nfs/dbraw/zinc/16/68/38/1370166838.db2.gz JTPWOBADVAYNEO-SFHVURJKSA-N 0 3 328.437 3.083 20 10 EGCDHN O=C1N(c2ccsc2)CC[C@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001203551663 1370166842 /nfs/dbraw/zinc/16/68/42/1370166842.db2.gz JTPWOBADVAYNEO-SFHVURJKSA-N 0 3 328.437 3.083 20 10 EGCDHN Oc1ccccc1CN1CCN(Cc2ccncc2)c2ncccc2C1 ZINC001203552349 1370166952 /nfs/dbraw/zinc/16/69/52/1370166952.db2.gz KUJAZMUZLIMCPI-UHFFFAOYSA-N 0 3 346.434 3.205 20 10 EGCDHN COc1cc(N2CCN(Cc3ccccc3O)CC2)ccc1Cl ZINC001203558690 1370168991 /nfs/dbraw/zinc/16/89/91/1370168991.db2.gz VWANTYAOTQKWPW-UHFFFAOYSA-N 0 3 332.831 3.376 20 10 EGCDHN COc1cc(N2CC[NH+](Cc3ccccc3[O-])CC2)ccc1Cl ZINC001203558690 1370168993 /nfs/dbraw/zinc/16/89/93/1370168993.db2.gz VWANTYAOTQKWPW-UHFFFAOYSA-N 0 3 332.831 3.376 20 10 EGCDHN CC[N@H+](Cc1ccc(OC)cc1[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC001203628868 1370192982 /nfs/dbraw/zinc/19/29/82/1370192982.db2.gz IYYKPBOPGJCNPD-IBGZPJMESA-N 0 3 340.467 3.497 20 10 EGCDHN CC[N@@H+](Cc1ccc(OC)cc1[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC001203628868 1370192985 /nfs/dbraw/zinc/19/29/85/1370192985.db2.gz IYYKPBOPGJCNPD-IBGZPJMESA-N 0 3 340.467 3.497 20 10 EGCDHN COC[C@@H](C)[N@H+](Cc1cccc(OC)c1)Cc1ccc(OC)cc1[O-] ZINC001203629240 1370193175 /nfs/dbraw/zinc/19/31/75/1370193175.db2.gz UBTLVNRTMUCDSW-OAHLLOKOSA-N 0 3 345.439 3.447 20 10 EGCDHN COC[C@@H](C)[N@@H+](Cc1cccc(OC)c1)Cc1ccc(OC)cc1[O-] ZINC001203629240 1370193178 /nfs/dbraw/zinc/19/31/78/1370193178.db2.gz UBTLVNRTMUCDSW-OAHLLOKOSA-N 0 3 345.439 3.447 20 10 EGCDHN Cc1nc(C2CCN(Cc3ccc(N4CCCC4)cc3)CC2)no1 ZINC001204327246 1370445209 /nfs/dbraw/zinc/44/52/09/1370445209.db2.gz MWEXLVAQEVAZTB-UHFFFAOYSA-N 0 3 326.444 3.358 20 10 EGCDHN Cc1cc(CN2CC[C@]3(C2)CCCC[NH2+]3)c([O-])cc1Br ZINC001222441252 1373844990 /nfs/dbraw/zinc/84/49/90/1373844990.db2.gz HOGCJXNUICXCEZ-INIZCTEOSA-N 0 3 339.277 3.181 20 10 EGCDHN Cc1cccc(CN2CCCn3cnc(Cn4cccc4)c3C2)c1O ZINC001231592815 1376274254 /nfs/dbraw/zinc/27/42/54/1376274254.db2.gz KQALYAZKGYCIPQ-UHFFFAOYSA-N 0 3 336.439 3.153 20 10 EGCDHN Cc1cccc(CN2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)c1O ZINC001231592260 1376274411 /nfs/dbraw/zinc/27/44/11/1376274411.db2.gz LNNXOQKQXSLMQJ-INIZCTEOSA-N 0 3 342.487 3.314 20 10 EGCDHN Cc1ccc(CN(C)Cc2ccc(N3CCOCC3)cc2)cc1O ZINC001233233182 1376595947 /nfs/dbraw/zinc/59/59/47/1376595947.db2.gz CKKLYDBEAHQVCX-UHFFFAOYSA-N 0 3 326.440 3.169 20 10 EGCDHN Cc1ccccc1OC1CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233482432 1376652274 /nfs/dbraw/zinc/65/22/74/1376652274.db2.gz NJZBIJZLLJKRJN-UHFFFAOYSA-N 0 3 329.396 3.155 20 10 EGCDHN CO[C@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])CC1 ZINC001237057876 1376973213 /nfs/dbraw/zinc/97/32/13/1376973213.db2.gz GDOCDBUHKVMVIQ-ZDUSSCGKSA-N 0 3 333.350 3.334 20 10 EGCDHN CO[C@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])CC1 ZINC001237057876 1376973216 /nfs/dbraw/zinc/97/32/16/1376973216.db2.gz GDOCDBUHKVMVIQ-ZDUSSCGKSA-N 0 3 333.350 3.334 20 10 EGCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1Br ZINC001237676234 1376982496 /nfs/dbraw/zinc/98/24/96/1376982496.db2.gz HHIIGGQZMJDWHD-MLGOLLRUSA-N 0 3 340.261 3.464 20 10 EGCDHN Cc1cc([O-])c(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1Br ZINC001237676234 1376982498 /nfs/dbraw/zinc/98/24/98/1376982498.db2.gz HHIIGGQZMJDWHD-MLGOLLRUSA-N 0 3 340.261 3.464 20 10 EGCDHN Cc1cc([O-])c(C[N@H+]2C[C@H](CO)CC[C@H]2C)cc1Br ZINC001237676267 1376983151 /nfs/dbraw/zinc/98/31/51/1376983151.db2.gz HKLOGAAEIBIBQY-VXGBXAGGSA-N 0 3 328.250 3.056 20 10 EGCDHN Cc1cc([O-])c(C[N@@H+]2C[C@H](CO)CC[C@H]2C)cc1Br ZINC001237676267 1376983167 /nfs/dbraw/zinc/98/31/67/1376983167.db2.gz HKLOGAAEIBIBQY-VXGBXAGGSA-N 0 3 328.250 3.056 20 10 EGCDHN F[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2)CCC1(F)F ZINC001138494599 1377733093 /nfs/dbraw/zinc/73/30/93/1377733093.db2.gz ALIQTDXOHGDXMY-INIZCTEOSA-N 0 3 328.378 3.092 20 10 EGCDHN Cc1cc(CN2CCC(Oc3ccccn3)CC2)ccc1N(C)C ZINC001139670990 1377931027 /nfs/dbraw/zinc/93/10/27/1377931027.db2.gz KBNJGSNROBFKIH-UHFFFAOYSA-N 0 3 325.456 3.499 20 10 EGCDHN Cc1cc(CN2CCC[C@H](Oc3nccnc3C)C2)ccc1N(C)C ZINC001139674227 1377931718 /nfs/dbraw/zinc/93/17/18/1377931718.db2.gz PVGJGYQJCZMIPQ-SFHVURJKSA-N 0 3 340.471 3.203 20 10 EGCDHN COc1cc2c(cc1OC)[C@@H](C[N@H+](C)Cc1cc(F)ccc1[O-])C2 ZINC001140058979 1377997955 /nfs/dbraw/zinc/99/79/55/1377997955.db2.gz RVUPFYPRSCZMHO-CYBMUJFWSA-N 0 3 331.387 3.320 20 10 EGCDHN COc1cc2c(cc1OC)[C@@H](C[N@@H+](C)Cc1cc(F)ccc1[O-])C2 ZINC001140058979 1377997959 /nfs/dbraw/zinc/99/79/59/1377997959.db2.gz RVUPFYPRSCZMHO-CYBMUJFWSA-N 0 3 331.387 3.320 20 10 EGCDHN Cc1ccc(C)c(CN2CCN(c3nc4ccccc4o3)CC2)c1O ZINC001140178892 1378026710 /nfs/dbraw/zinc/02/67/10/1378026710.db2.gz BSBOWTNVGAZOEC-UHFFFAOYSA-N 0 3 337.423 3.472 20 10 EGCDHN [O-]c1cc(Cl)ccc1C[NH+]1C[C@H]2CN(Cc3ccccn3)C[C@@H]2C1 ZINC001140467503 1378069130 /nfs/dbraw/zinc/06/91/30/1378069130.db2.gz RTUMPGKSWFBWEK-HOTGVXAUSA-N 0 3 343.858 3.004 20 10 EGCDHN O=C1C[C@]2(CN1C1CCCC1)CCCC[N@H+]2Cc1ccccc1[O-] ZINC001272618429 1378076257 /nfs/dbraw/zinc/07/62/57/1378076257.db2.gz HQTFYCQEPBEXJE-FQEVSTJZSA-N 0 3 328.456 3.292 20 10 EGCDHN O=C1C[C@]2(CN1C1CCCC1)CCCC[N@@H+]2Cc1ccccc1[O-] ZINC001272618429 1378076262 /nfs/dbraw/zinc/07/62/62/1378076262.db2.gz HQTFYCQEPBEXJE-FQEVSTJZSA-N 0 3 328.456 3.292 20 10 EGCDHN Cc1ccc(C[NH+]2CCC3(CCCN3c3ncccn3)CC2)c([O-])c1 ZINC001140952106 1378190007 /nfs/dbraw/zinc/19/00/07/1378190007.db2.gz FIBAAMLKDUTLRJ-UHFFFAOYSA-N 0 3 338.455 3.126 20 10 EGCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](OCc3ccccc3)C2)c(OC)c1 ZINC001141028443 1378212544 /nfs/dbraw/zinc/21/25/44/1378212544.db2.gz OOIIWCWEEREQIO-MRXNPFEDSA-N 0 3 343.423 3.201 20 10 EGCDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](OCc3ccccc3)C2)c(OC)c1 ZINC001141028443 1378212547 /nfs/dbraw/zinc/21/25/47/1378212547.db2.gz OOIIWCWEEREQIO-MRXNPFEDSA-N 0 3 343.423 3.201 20 10 EGCDHN COc1cc(O)c(CN2CC[C@@H](OCc3ccccc3)C2)c(OC)c1 ZINC001141028443 1378212551 /nfs/dbraw/zinc/21/25/51/1378212551.db2.gz OOIIWCWEEREQIO-MRXNPFEDSA-N 0 3 343.423 3.201 20 10 EGCDHN COc1cccc([C@@H]2CC[N@H+](Cc3c([O-])cc(OC)cc3OC)C2)c1 ZINC001141030572 1378212756 /nfs/dbraw/zinc/21/27/56/1378212756.db2.gz CFMNSNHWUUDKSD-OAHLLOKOSA-N 0 3 343.423 3.408 20 10 EGCDHN COc1cccc([C@@H]2CC[N@@H+](Cc3c([O-])cc(OC)cc3OC)C2)c1 ZINC001141030572 1378212757 /nfs/dbraw/zinc/21/27/57/1378212757.db2.gz CFMNSNHWUUDKSD-OAHLLOKOSA-N 0 3 343.423 3.408 20 10 EGCDHN CC[N@H+](CCc1ccc(OC)cc1)Cc1c([O-])cc(OC)cc1OC ZINC001141030977 1378214544 /nfs/dbraw/zinc/21/45/44/1378214544.db2.gz SUIPUPHUTGQEAX-UHFFFAOYSA-N 0 3 345.439 3.483 20 10 EGCDHN CC[N@@H+](CCc1ccc(OC)cc1)Cc1c([O-])cc(OC)cc1OC ZINC001141030977 1378214547 /nfs/dbraw/zinc/21/45/47/1378214547.db2.gz SUIPUPHUTGQEAX-UHFFFAOYSA-N 0 3 345.439 3.483 20 10 EGCDHN CCN(Cc1ccc(COC(C)=O)o1)Cc1ccc(N(C)C)cc1 ZINC001141793678 1378378180 /nfs/dbraw/zinc/37/81/80/1378378180.db2.gz GAZLQBFLMCZGHE-UHFFFAOYSA-N 0 3 330.428 3.431 20 10 EGCDHN C[C@@H]1C[C@H]([N@@H+]2CCc3cccc([O-])c3C2)CN1C(=O)OC(C)(C)C ZINC001168872651 1384041653 /nfs/dbraw/zinc/04/16/53/1384041653.db2.gz NXGOJEXWRBUXAA-HIFRSBDPSA-N 0 3 332.444 3.148 20 10 EGCDHN C[C@@H]1C[C@H]([N@H+]2CCc3cccc([O-])c3C2)CN1C(=O)OC(C)(C)C ZINC001168872651 1384041661 /nfs/dbraw/zinc/04/16/61/1384041661.db2.gz NXGOJEXWRBUXAA-HIFRSBDPSA-N 0 3 332.444 3.148 20 10 EGCDHN C[C@H](CCN(C)C(=O)OC(C)(C)C)[N@@H+]1CCc2cccc([O-])c2C1 ZINC001172973304 1384893627 /nfs/dbraw/zinc/89/36/27/1384893627.db2.gz ZPWYWFSODJETKI-CQSZACIVSA-N 0 3 334.460 3.396 20 10 EGCDHN C[C@H](CCN(C)C(=O)OC(C)(C)C)[N@H+]1CCc2cccc([O-])c2C1 ZINC001172973304 1384893631 /nfs/dbraw/zinc/89/36/31/1384893631.db2.gz ZPWYWFSODJETKI-CQSZACIVSA-N 0 3 334.460 3.396 20 10 EGCDHN C[C@H]1OCC[C@@]12CN(Cc1ccc(N3CCCC3)cc1)C[C@@H](C)O2 ZINC001322333447 1387161369 /nfs/dbraw/zinc/16/13/69/1387161369.db2.gz HYTOPSKZRYHUBJ-MBOZVWFJSA-N 0 3 330.472 3.055 20 10 EGCDHN COc1ccc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(O)c1OC ZINC001342959705 1390677789 /nfs/dbraw/zinc/67/77/89/1390677789.db2.gz IDDXNFLCVHBVEQ-LBPRGKRZSA-N 0 3 346.383 3.477 20 10 EGCDHN COc1ccc(CNC/C=C/CNC(=O)c2cc(Cl)c[nH]2)cc1C ZINC001754106485 1440541470 /nfs/dbraw/zinc/54/14/70/1440541470.db2.gz FBPKNULFPYABPV-ONEGZZNKSA-N 0 3 347.846 3.061 20 10 EGCDHN COc1ccc(CNC2(CNC(=O)/C=C\c3ccco3)CC2)cc1C ZINC001754506874 1440616582 /nfs/dbraw/zinc/61/65/82/1440616582.db2.gz WSDRHWRDMGODTA-VURMDHGXSA-N 0 3 340.423 3.048 20 10 EGCDHN Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826268640 947775828 /nfs/dbraw/zinc/77/58/28/947775828.db2.gz HGVKVKDXJFLFKI-AWEZNQCLSA-N 0 3 336.443 3.092 20 10 EGCDHN [O-]c1ccc(F)cc1C[NH2+][C@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000779076631 1126109513 /nfs/dbraw/zinc/10/95/13/1126109513.db2.gz DBEGUQAVGRNBQA-ZBFHGGJFSA-N 0 3 343.320 3.155 20 10 EGCDHN Cc1ccc(C[C@@H](CO)NCc2cc(F)c(N(C)C)cc2F)cc1 ZINC001334902359 1126179910 /nfs/dbraw/zinc/17/99/10/1126179910.db2.gz MLJCWACTUBGLGN-INIZCTEOSA-N 0 3 334.410 3.032 20 10 EGCDHN Cc1c(C[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])cnn1C ZINC000187403273 455905739 /nfs/dbraw/zinc/90/57/39/455905739.db2.gz AIAGFYHJKHXHOS-SNVBAGLBSA-N 0 3 338.249 3.356 20 10 EGCDHN Cc1ccc([C@@H](CNC(=O)Cc2ccc(N)cc2)N2CCCC2)cc1 ZINC000237878512 455228125 /nfs/dbraw/zinc/22/81/25/455228125.db2.gz LLZYPSATOVVRLE-HXUWFJFHSA-N 0 3 337.467 3.073 20 10 EGCDHN [O-]c1ccccc1C[N@H+](C[C@H](O)c1ccc(F)cc1)C[C@H]1CCCO1 ZINC000264741226 455274058 /nfs/dbraw/zinc/27/40/58/455274058.db2.gz UATRPMUFHKBMBB-QUCCMNQESA-N 0 3 345.414 3.246 20 10 EGCDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)c1ccc(F)cc1)C[C@H]1CCCO1 ZINC000264741226 455274062 /nfs/dbraw/zinc/27/40/62/455274062.db2.gz UATRPMUFHKBMBB-QUCCMNQESA-N 0 3 345.414 3.246 20 10 EGCDHN C[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1cc(Br)ccc1[O-] ZINC000181011534 455275690 /nfs/dbraw/zinc/27/56/90/455275690.db2.gz HQFCAKJBSMNJOG-NWDGAFQWSA-N 0 3 339.277 3.290 20 10 EGCDHN C[C@H](NCCNC(=O)c1ccco1)c1ccc(N2CCCCC2)cc1 ZINC000120320097 454285907 /nfs/dbraw/zinc/28/59/07/454285907.db2.gz DYNHIBWYIKYKHH-INIZCTEOSA-N 0 3 341.455 3.351 20 10 EGCDHN C[C@@H](N[C@H]1CC(=O)N(C2CC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000090181565 454290947 /nfs/dbraw/zinc/29/09/47/454290947.db2.gz SYPXNRMSQJQYBC-WBVHZDCISA-N 0 3 327.472 3.091 20 10 EGCDHN CC(C)(C)OC(=O)N[C@H]1CCCN(Cc2cc3c(cc2O)CCC3)C1 ZINC000097907396 454446359 /nfs/dbraw/zinc/44/63/59/454446359.db2.gz RQNVXGNNXFOHFA-KRWDZBQOSA-N 0 3 346.471 3.370 20 10 EGCDHN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000079724067 454469797 /nfs/dbraw/zinc/46/97/97/454469797.db2.gz SVKPJZBICJLMRW-OAHLLOKOSA-N 0 3 341.411 3.282 20 10 EGCDHN Cc1nccn1C[C@H](C)C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000105442929 454639253 /nfs/dbraw/zinc/63/92/53/454639253.db2.gz SMVPPDZKYILJOF-LLVKDONJSA-N 0 3 338.249 3.086 20 10 EGCDHN C[C@@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000164517153 454883855 /nfs/dbraw/zinc/88/38/55/454883855.db2.gz KAPVPBQICOONPH-GDBMZVCRSA-N 0 3 333.476 3.413 20 10 EGCDHN Cc1cc(O)c(CN2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1C ZINC000170646394 454948307 /nfs/dbraw/zinc/94/83/07/454948307.db2.gz OEEUGYHNOZCTDD-MRXNPFEDSA-N 0 3 334.460 3.498 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]Cc2cccc(OCC(=O)N(C)C)c2)c([O-])c1 ZINC000185063875 455494868 /nfs/dbraw/zinc/49/48/68/455494868.db2.gz UDEUQLVHXQZXJP-HNNXBMFYSA-N 0 3 342.439 3.018 20 10 EGCDHN CCCC[C@@H](COC)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000151537153 454998135 /nfs/dbraw/zinc/99/81/35/454998135.db2.gz DWGYMNJYKZRNEF-INIZCTEOSA-N 0 3 338.467 3.082 20 10 EGCDHN CC(C)C(=O)N1CCC[N@H+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000151925324 455049114 /nfs/dbraw/zinc/04/91/14/455049114.db2.gz NGWHERCYJIIPPT-UHFFFAOYSA-N 0 3 326.440 3.236 20 10 EGCDHN CC(C)C(=O)N1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000151925324 455049117 /nfs/dbraw/zinc/04/91/17/455049117.db2.gz NGWHERCYJIIPPT-UHFFFAOYSA-N 0 3 326.440 3.236 20 10 EGCDHN O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179559913 455057912 /nfs/dbraw/zinc/05/79/12/455057912.db2.gz AJTVOYHMXHAIIL-AWEZNQCLSA-N 0 3 345.830 3.291 20 10 EGCDHN O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000179559913 455057915 /nfs/dbraw/zinc/05/79/15/455057915.db2.gz AJTVOYHMXHAIIL-AWEZNQCLSA-N 0 3 345.830 3.291 20 10 EGCDHN Cc1cccc(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c1[O-] ZINC000179767199 455075956 /nfs/dbraw/zinc/07/59/56/455075956.db2.gz YMPKHNSCNRYGDD-OAHLLOKOSA-N 0 3 330.472 3.171 20 10 EGCDHN CCCOc1ccc(C[N@@H+]2CCC[C@H]2Cn2ccnc2C)c([O-])c1 ZINC000180130082 455136827 /nfs/dbraw/zinc/13/68/27/455136827.db2.gz UKJOEQABSLBSAB-KRWDZBQOSA-N 0 3 329.444 3.351 20 10 EGCDHN CCCOc1ccc(C[N@H+]2CCC[C@H]2Cn2ccnc2C)c([O-])c1 ZINC000180130082 455136828 /nfs/dbraw/zinc/13/68/28/455136828.db2.gz UKJOEQABSLBSAB-KRWDZBQOSA-N 0 3 329.444 3.351 20 10 EGCDHN Cc1ccc([C@H](C[NH2+][C@@H](C)c2ccccc2[O-])N2CCOCC2)cc1 ZINC000183432862 455293034 /nfs/dbraw/zinc/29/30/34/455293034.db2.gz LWAHVJUBRZLKKC-PXNSSMCTSA-N 0 3 340.467 3.425 20 10 EGCDHN C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccccc1[O-] ZINC000183474508 455297741 /nfs/dbraw/zinc/29/77/41/455297741.db2.gz UXZLRWHMTGLYFS-QFBILLFUSA-N 0 3 338.451 3.277 20 10 EGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H](c2cccs2)N2CCOCC2)c1 ZINC000184852783 455460232 /nfs/dbraw/zinc/46/02/32/455460232.db2.gz DAYJNMZGALCGBT-DOTOQJQBSA-N 0 3 346.496 3.486 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](c2cccs2)N2CCOCC2)c([O-])c1 ZINC000184853206 455461302 /nfs/dbraw/zinc/46/13/02/455461302.db2.gz OFXIINAXMMWWLF-DOTOQJQBSA-N 0 3 346.496 3.486 20 10 EGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccccc2CN2CCOCC2)c1 ZINC000184894114 455468461 /nfs/dbraw/zinc/46/84/61/455468461.db2.gz QMCOWNOMFQDOAG-QGZVFWFLSA-N 0 3 340.467 3.384 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+][C@H](CN2CCOCC2)c2ccccc2)c([O-])c1 ZINC000184904232 455469648 /nfs/dbraw/zinc/46/96/48/455469648.db2.gz NSUFZFKGJHBLLC-YLJYHZDGSA-N 0 3 340.467 3.425 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCN2CCc3ccccc3C2)c1 ZINC000184923748 455473923 /nfs/dbraw/zinc/47/39/23/455473923.db2.gz NRKFOMSZSKECQV-OAHLLOKOSA-N 0 3 326.440 3.110 20 10 EGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C2CCN(C(=O)c3ccoc3)CC2)c1 ZINC000184979566 455480037 /nfs/dbraw/zinc/48/00/37/455480037.db2.gz PJTBKWJJFNYDCL-CQSZACIVSA-N 0 3 328.412 3.249 20 10 EGCDHN CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2cc(C)ccc2[O-])cc1 ZINC000185122765 455505781 /nfs/dbraw/zinc/50/57/81/455505781.db2.gz JKQYXPODRZXPSF-ZIAGYGMSSA-N 0 3 348.468 3.021 20 10 EGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCCS(=O)(=O)c2ccccc2)c1 ZINC000185166739 455515337 /nfs/dbraw/zinc/51/53/37/455515337.db2.gz YAJOTMGGLFKBJW-OAHLLOKOSA-N 0 3 333.453 3.215 20 10 EGCDHN C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cccc(O)c2[O-])CC1 ZINC000185671447 455592794 /nfs/dbraw/zinc/59/27/94/455592794.db2.gz DZFPRTGQSRZETH-CQSZACIVSA-N 0 3 340.423 3.053 20 10 EGCDHN CO[C@H](CN(C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000284174948 455646391 /nfs/dbraw/zinc/64/63/91/455646391.db2.gz XZAGTZKUYTYTNP-OAQYLSRUSA-N 0 3 340.467 3.343 20 10 EGCDHN CCN(CC)c1ccc(CN[C@@H](C)C(C)(C)n2cncn2)cc1F ZINC000284301340 455665015 /nfs/dbraw/zinc/66/50/15/455665015.db2.gz YQHJXRJRXKKGCG-AWEZNQCLSA-N 0 3 333.455 3.177 20 10 EGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000186190633 455712356 /nfs/dbraw/zinc/71/23/56/455712356.db2.gz WXAIAFKMVOBGHB-WMZOPIPTSA-N 0 3 338.451 3.400 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)c([O-])c1 ZINC000186191114 455713191 /nfs/dbraw/zinc/71/31/91/455713191.db2.gz IGIAACNPWSPPHL-WMZOPIPTSA-N 0 3 338.451 3.400 20 10 EGCDHN Cc1cc(CN2CCC[C@](O)(C(F)(F)F)CC2)ccc1N(C)C ZINC000293443091 455786852 /nfs/dbraw/zinc/78/68/52/455786852.db2.gz CBPHIRGYDOPJLO-MRXNPFEDSA-N 0 3 330.394 3.340 20 10 EGCDHN C/C=C/C[C@H](CO)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000186529074 455787059 /nfs/dbraw/zinc/78/70/59/455787059.db2.gz NMDVCLUFFDAKBL-ZMUQKWFASA-N 0 3 327.424 3.388 20 10 EGCDHN Cc1cc(CN2CCC[C@H]([C@@H](O)C(F)(F)F)C2)ccc1N(C)C ZINC000294024915 455802935 /nfs/dbraw/zinc/80/29/35/455802935.db2.gz HREDDSVTAQJTGX-GOEBONIOSA-N 0 3 330.394 3.196 20 10 EGCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)COCc1ccccc1Cl ZINC000269602806 455850375 /nfs/dbraw/zinc/85/03/75/455850375.db2.gz AUBSFFATKVQVCL-INIZCTEOSA-N 0 3 335.831 3.055 20 10 EGCDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)COCc1ccccc1Cl ZINC000269602806 455850379 /nfs/dbraw/zinc/85/03/79/455850379.db2.gz AUBSFFATKVQVCL-INIZCTEOSA-N 0 3 335.831 3.055 20 10 EGCDHN O=C1CCCN1Cc1cccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000295828997 455860957 /nfs/dbraw/zinc/86/09/57/455860957.db2.gz DVEMILUGCNUPMH-GOSISDBHSA-N 0 3 336.435 3.292 20 10 EGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H](c1ccccc1)N1CCOCC1)CC2 ZINC000296129497 455869679 /nfs/dbraw/zinc/86/96/79/455869679.db2.gz VSLINMREBVXAFJ-MOPGFXCFSA-N 0 3 338.451 3.043 20 10 EGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H](c1ccccc1)N1CCOCC1)CC2 ZINC000296129512 455869781 /nfs/dbraw/zinc/86/97/81/455869781.db2.gz VSLINMREBVXAFJ-RTBURBONSA-N 0 3 338.451 3.043 20 10 EGCDHN CC[C@@H]([NH2+]CC(=O)NCc1ccc(OC)cc1)c1ccc(C)cc1[O-] ZINC000280289840 455937947 /nfs/dbraw/zinc/93/79/47/455937947.db2.gz ZDACYBHVFBIEHM-GOSISDBHSA-N 0 3 342.439 3.066 20 10 EGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCCn2cc(Br)cn2)c1 ZINC000287196323 456063996 /nfs/dbraw/zinc/06/39/96/456063996.db2.gz DNFQQCHOVOFLME-GFCCVEGCSA-N 0 3 338.249 3.401 20 10 EGCDHN CC[C@H]([NH2+][C@@H]1CCCN(C(=O)N2CCCC2)C1)c1ccccc1[O-] ZINC000287394495 456068530 /nfs/dbraw/zinc/06/85/30/456068530.db2.gz IUZPPEXLYBRYLS-WBVHZDCISA-N 0 3 331.460 3.113 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)c([O-])c1 ZINC000287593062 456073461 /nfs/dbraw/zinc/07/34/61/456073461.db2.gz RSMMJKLINOXOQA-HOTGVXAUSA-N 0 3 331.460 3.031 20 10 EGCDHN CC[C@H]([NH2+]CCCN1CCN(CC)CC1)c1cccc(Cl)c1[O-] ZINC000287768761 456077516 /nfs/dbraw/zinc/07/75/16/456077516.db2.gz RLFZRIGHWLUYBZ-KRWDZBQOSA-N 0 3 339.911 3.114 20 10 EGCDHN CC[C@@H](NC[C@H](O)C[NH+]1CCCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287770033 456077682 /nfs/dbraw/zinc/07/76/82/456077682.db2.gz RLIQJGLEZDWWNM-SWLSCSKDSA-N 0 3 347.286 3.196 20 10 EGCDHN C[C@H](NC(=O)N(C)Cc1ccccc1O)[C@H](c1ccccc1)N(C)C ZINC000288150282 456088635 /nfs/dbraw/zinc/08/86/35/456088635.db2.gz NVJNQGQCJSSLAX-HNAYVOBHSA-N 0 3 341.455 3.225 20 10 EGCDHN O[C@@H]1c2ccccc2OC[C@@H]1NCc1ccc(N2CCCCC2)cc1 ZINC000288699228 456103190 /nfs/dbraw/zinc/10/31/90/456103190.db2.gz YJYTXJLELAGRGR-PZJWPPBQSA-N 0 3 338.451 3.261 20 10 EGCDHN CCC[N@H+](Cc1cc(OC)c(OC)cc1[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000271055338 456114618 /nfs/dbraw/zinc/11/46/18/456114618.db2.gz ACJURLBSIAYDKW-GDIGMMSISA-N 0 3 349.471 3.435 20 10 EGCDHN CCC[N@@H+](Cc1cc(OC)c(OC)cc1[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000271055338 456114626 /nfs/dbraw/zinc/11/46/26/456114626.db2.gz ACJURLBSIAYDKW-GDIGMMSISA-N 0 3 349.471 3.435 20 10 EGCDHN COc1ccc(CC[C@H](C)[NH2+]Cc2cccc(OC)c2[O-])cc1O ZINC000289543864 456129579 /nfs/dbraw/zinc/12/95/79/456129579.db2.gz XAMYYFXBMDUVOL-ZDUSSCGKSA-N 0 3 331.412 3.226 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)c1 ZINC000289587521 456132886 /nfs/dbraw/zinc/13/28/86/456132886.db2.gz BTPNPHNJTZYYTA-QMIHWGKISA-N 0 3 327.424 3.218 20 10 EGCDHN COC[C@@]1(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])OCCc2ccccc21 ZINC000289802789 456143496 /nfs/dbraw/zinc/14/34/96/456143496.db2.gz OBFDESDAVJQSMA-VBKZILBWSA-N 0 3 345.414 3.297 20 10 EGCDHN CCN1CCN(c2ccc(CNc3cc(C)ccn3)cc2F)CC1 ZINC000301633077 456168614 /nfs/dbraw/zinc/16/86/14/456168614.db2.gz JWIXWOSUERUXPS-UHFFFAOYSA-N 0 3 328.435 3.283 20 10 EGCDHN CCOc1ccc([O-])c(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)c1 ZINC000289967774 456198466 /nfs/dbraw/zinc/19/84/66/456198466.db2.gz VXFJPAHZTIDYCU-AZUAARDMSA-N 0 3 327.424 3.047 20 10 EGCDHN CCOc1cccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c1[O-] ZINC000271281627 456204045 /nfs/dbraw/zinc/20/40/45/456204045.db2.gz PLLXPLAVLZKWKE-JKSUJKDBSA-N 0 3 331.412 3.472 20 10 EGCDHN CCOc1cccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c1[O-] ZINC000271281627 456204047 /nfs/dbraw/zinc/20/40/47/456204047.db2.gz PLLXPLAVLZKWKE-JKSUJKDBSA-N 0 3 331.412 3.472 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]Cc2ccnc(N3CCCC3)c2)c1[O-] ZINC000290007341 456213298 /nfs/dbraw/zinc/21/32/98/456213298.db2.gz DKUNIHNESKXKRN-UHFFFAOYSA-N 0 3 347.846 3.339 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2Cn2cncn2)c([O-])c1C ZINC000273305081 456222780 /nfs/dbraw/zinc/22/27/80/456222780.db2.gz CPLAQCNZSVNOIS-MRXNPFEDSA-N 0 3 336.439 3.500 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(NS(C)(=O)=O)cc2)c([O-])c1C ZINC000273300222 456222897 /nfs/dbraw/zinc/22/28/97/456222897.db2.gz BDWWTZKQHFEVNL-CQSZACIVSA-N 0 3 348.468 3.231 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccc(F)cc2)c([O-])c1C ZINC000273432979 456230235 /nfs/dbraw/zinc/23/02/35/456230235.db2.gz WIRALZKWKVPAAV-ZBFHGGJFSA-N 0 3 333.403 3.239 20 10 EGCDHN C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1)c1cc(F)ccc1[O-] ZINC000273514684 456236222 /nfs/dbraw/zinc/23/62/22/456236222.db2.gz SFLWKUQUQLKPMN-BBRMVZONSA-N 0 3 344.434 3.240 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]Cc2cccc(CS(C)(=O)=O)c2)c([O-])c1C ZINC000273576940 456238628 /nfs/dbraw/zinc/23/86/28/456238628.db2.gz MAZYAZKNBRXAOO-OAHLLOKOSA-N 0 3 347.480 3.404 20 10 EGCDHN CC[C@@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)c1ccccc1[O-] ZINC000274783212 456264425 /nfs/dbraw/zinc/26/44/25/456264425.db2.gz PTKNENJJOBFECH-MSOLQXFVSA-N 0 3 339.439 3.019 20 10 EGCDHN Cc1cc(Cl)cc(C[NH2+][C@H]2CCCO[C@@H]2c2cnn(C)c2)c1[O-] ZINC000275662200 456279898 /nfs/dbraw/zinc/27/98/98/456279898.db2.gz VACDNEWCBSSPLQ-DOTOQJQBSA-N 0 3 335.835 3.097 20 10 EGCDHN COc1ccc([O-])c(C[NH2+]C[C@@H]2CCN(c3ccccc3F)C2)c1 ZINC000291076978 456520751 /nfs/dbraw/zinc/52/07/51/456520751.db2.gz TYPIVKAZTQWSKV-AWEZNQCLSA-N 0 3 330.403 3.156 20 10 EGCDHN CCCOc1ccc(C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)c([O-])c1 ZINC000291327894 456606776 /nfs/dbraw/zinc/60/67/76/456606776.db2.gz UHXYECWIJYRIAD-NRFANRHFSA-N 0 3 341.451 3.317 20 10 EGCDHN CCCOc1ccc(C[N@H+]2CC[C@](CO)(c3ccccc3)C2)c([O-])c1 ZINC000291327894 456606783 /nfs/dbraw/zinc/60/67/83/456606783.db2.gz UHXYECWIJYRIAD-NRFANRHFSA-N 0 3 341.451 3.317 20 10 EGCDHN CC[C@@H]([NH2+]CCS(=O)(=O)CCc1ccccc1)c1ccccc1[O-] ZINC000282732001 456606983 /nfs/dbraw/zinc/60/69/83/456606983.db2.gz MQLKAGDHGBOBQU-GOSISDBHSA-N 0 3 347.480 3.090 20 10 EGCDHN Cc1cc(Br)cc(CN2CC[C@@H](n3cccn3)C2)c1O ZINC000291336026 456609286 /nfs/dbraw/zinc/60/92/86/456609286.db2.gz VHACZHDKUFMTGT-CQSZACIVSA-N 0 3 336.233 3.107 20 10 EGCDHN COc1ccc(O)c([C@H](C)N[C@H]2CCCN(C3CCCCC3)C2=O)c1 ZINC000276925961 456621280 /nfs/dbraw/zinc/62/12/80/456621280.db2.gz NIKUEQFRFDCGSC-KSSFIOAISA-N 0 3 346.471 3.375 20 10 EGCDHN COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c([O-])c1 ZINC000374879229 457725494 /nfs/dbraw/zinc/72/54/94/457725494.db2.gz SGBBPYLXHYKQRU-QFBILLFUSA-N 0 3 340.467 3.401 20 10 EGCDHN COc1cc(Cl)cc(CN2CC[C@@H](Oc3ccncc3)C2)c1O ZINC000366053417 457790315 /nfs/dbraw/zinc/79/03/15/457790315.db2.gz WHLGENKOYUCBHC-OAHLLOKOSA-N 0 3 334.803 3.103 20 10 EGCDHN COc1ccc(N2CCC(N[C@@H](C)c3cn(C)nc3C)CC2)cc1 ZINC000366231021 457802484 /nfs/dbraw/zinc/80/24/84/457802484.db2.gz FBMLXRKAVDPNIZ-AWEZNQCLSA-N 0 3 328.460 3.057 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC([C@H](O)c3ncc[nH]3)CC2)cc1 ZINC000369100740 458082177 /nfs/dbraw/zinc/08/21/77/458082177.db2.gz RIQONPBJNBKWFP-IBGZPJMESA-N 0 3 342.487 3.202 20 10 EGCDHN COC[C@@]1([NH2+]Cc2cc(C)c(C)cc2[O-])COc2ccccc2C1 ZINC000527802138 459742345 /nfs/dbraw/zinc/74/23/45/459742345.db2.gz ZSWBPYHTSRTWPD-HXUWFJFHSA-N 0 3 327.424 3.119 20 10 EGCDHN COc1cccc([C@H](C[NH2+][C@@H](C)c2cc(OC)ccc2[O-])OC)c1 ZINC000527929378 459774559 /nfs/dbraw/zinc/77/45/59/459774559.db2.gz RTNFTSMMHLFBLH-DJJJIMSYSA-N 0 3 331.412 3.448 20 10 EGCDHN CCN(CC)c1ccc(CNCCNC(=O)c2ccc(F)cc2)cc1 ZINC000731453216 575074937 /nfs/dbraw/zinc/07/49/37/575074937.db2.gz YAHQQIFNBAGRSP-UHFFFAOYSA-N 0 3 343.446 3.192 20 10 EGCDHN COc1cccc(CNCC(=O)Nc2cccc3ccccc32)c1O ZINC000732231752 575247446 /nfs/dbraw/zinc/24/74/46/575247446.db2.gz XYXBJYYZMNAUBQ-UHFFFAOYSA-N 0 3 336.391 3.282 20 10 EGCDHN Cc1ccc([O-])c(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1 ZINC000734844162 575559568 /nfs/dbraw/zinc/55/95/68/575559568.db2.gz WUIKZQRAANNNLK-RDJZCZTQSA-N 0 3 339.357 3.325 20 10 EGCDHN CCOc1ccc(C[NH2+]CCCc2nc3ccccc3n2C)c([O-])c1 ZINC000736642375 575997297 /nfs/dbraw/zinc/99/72/97/575997297.db2.gz VFPDQGPACVLMBN-UHFFFAOYSA-N 0 3 339.439 3.400 20 10 EGCDHN Oc1cc2c(cc1CN1CCS[C@H](c3ccccc3)C1)OCO2 ZINC000738244722 576305302 /nfs/dbraw/zinc/30/53/02/576305302.db2.gz ICNBNXPSZKOLTR-SFHVURJKSA-N 0 3 329.421 3.411 20 10 EGCDHN COC(=O)CC[N@H+](Cc1cc(C(C)C)c(C)cc1[O-])C1CCOCC1 ZINC000743404040 576808658 /nfs/dbraw/zinc/80/86/58/576808658.db2.gz GYUOJBBECIVTEQ-UHFFFAOYSA-N 0 3 349.471 3.368 20 10 EGCDHN COC(=O)CC[N@@H+](Cc1cc(C(C)C)c(C)cc1[O-])C1CCOCC1 ZINC000743404040 576808659 /nfs/dbraw/zinc/80/86/59/576808659.db2.gz GYUOJBBECIVTEQ-UHFFFAOYSA-N 0 3 349.471 3.368 20 10 EGCDHN C[C@H](C(=O)NCc1c(O)ccc2c1CCCC2)N1[C@H](C)CC[C@H]1C ZINC000743716288 576815180 /nfs/dbraw/zinc/81/51/80/576815180.db2.gz ODMDMRBEFVVVFA-RBSFLKMASA-N 0 3 330.472 3.149 20 10 EGCDHN Cc1ccccc1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000038635602 1291404048 /nfs/dbraw/zinc/40/40/48/1291404048.db2.gz ZORARFUQBCGSBG-LJQANCHMSA-N 0 3 340.471 3.485 20 10 EGCDHN COc1ccc(CN[C@@H](C)c2ccc(OCCO)c(OC)c2)cc1C ZINC000067718460 1292170711 /nfs/dbraw/zinc/17/07/11/1292170711.db2.gz KGQIYGGXBYLRGD-HNNXBMFYSA-N 0 3 345.439 3.234 20 10 EGCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COCc1ccccc1F ZINC000076074437 1292418924 /nfs/dbraw/zinc/41/89/24/1292418924.db2.gz URPRYCUDJCWFJU-GOSISDBHSA-N 0 3 347.430 3.321 20 10 EGCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)COCc1ccccc1F ZINC000076074437 1292418929 /nfs/dbraw/zinc/41/89/29/1292418929.db2.gz URPRYCUDJCWFJU-GOSISDBHSA-N 0 3 347.430 3.321 20 10 EGCDHN Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834534175 1293112390 /nfs/dbraw/zinc/11/23/90/1293112390.db2.gz HEWXSGBASLCKLT-IAGOWNOFSA-N 0 3 327.424 3.026 20 10 EGCDHN NC(=O)[C@@H]1CC[C@H]([NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])C1 ZINC000834907314 1293172601 /nfs/dbraw/zinc/17/26/01/1293172601.db2.gz NRHZHLRKRDLLIT-ZIFCJYIRSA-N 0 3 338.451 3.310 20 10 EGCDHN CC[C@@H]([NH2+][C@H](C)C(=O)NCCc1ccccc1)c1ccc(C)cc1[O-] ZINC000834913605 1293175283 /nfs/dbraw/zinc/17/52/83/1293175283.db2.gz IDNXJJXRDBGSPG-VQIMIIECSA-N 0 3 340.467 3.489 20 10 EGCDHN CCN(C)c1ccc([C@@H](C)NCC(=O)N(C)Cc2ccccc2)cc1 ZINC000119083307 1293252898 /nfs/dbraw/zinc/25/28/98/1293252898.db2.gz NWYPSFNSDFCNGF-QGZVFWFLSA-N 0 3 339.483 3.452 20 10 EGCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000121142594 1293358085 /nfs/dbraw/zinc/35/80/85/1293358085.db2.gz NWUZWFYORAHWMI-MRXNPFEDSA-N 0 3 339.357 3.446 20 10 EGCDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000121142594 1293358092 /nfs/dbraw/zinc/35/80/92/1293358092.db2.gz NWUZWFYORAHWMI-MRXNPFEDSA-N 0 3 339.357 3.446 20 10 EGCDHN Cc1ccc(O)c(CN2CCN(c3cc(C)nc(C(C)C)n3)CC2)c1 ZINC000121737322 1293387136 /nfs/dbraw/zinc/38/71/36/1293387136.db2.gz AVGYYZNVIMYSGP-UHFFFAOYSA-N 0 3 340.471 3.245 20 10 EGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@H](C4OCCO4)C3)c2c1 ZINC000172491230 1294437469 /nfs/dbraw/zinc/43/74/69/1294437469.db2.gz OORMKRZQZBIWNJ-HNNXBMFYSA-N 0 3 343.423 3.139 20 10 EGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@H](C4OCCO4)C3)c2c1 ZINC000172491230 1294437475 /nfs/dbraw/zinc/43/74/75/1294437475.db2.gz OORMKRZQZBIWNJ-HNNXBMFYSA-N 0 3 343.423 3.139 20 10 EGCDHN CCN(C)c1ccc([C@@H](C)NCC(=O)NCCc2ccccc2)cc1 ZINC000181407920 1294965705 /nfs/dbraw/zinc/96/57/05/1294965705.db2.gz PLSITYIUDSCUMY-QGZVFWFLSA-N 0 3 339.483 3.152 20 10 EGCDHN COc1cc(OC)cc(OCC[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000186114660 1295306077 /nfs/dbraw/zinc/30/60/77/1295306077.db2.gz CGKVRVUEKOBNIW-GFCCVEGCSA-N 0 3 335.375 3.278 20 10 EGCDHN COCCO[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000193418277 1295864996 /nfs/dbraw/zinc/86/49/96/1295864996.db2.gz NUQNQCLKTIOVKU-KRWDZBQOSA-N 0 3 345.439 3.181 20 10 EGCDHN COCCO[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000193418277 1295865006 /nfs/dbraw/zinc/86/50/06/1295865006.db2.gz NUQNQCLKTIOVKU-KRWDZBQOSA-N 0 3 345.439 3.181 20 10 EGCDHN CC(C)(C)OC(=O)NC1(C[NH2+][C@H]2CCc3cccc([O-])c32)CCC1 ZINC000310509855 1297095252 /nfs/dbraw/zinc/09/52/52/1297095252.db2.gz UJIUDEJXXNBLGH-AWEZNQCLSA-N 0 3 332.444 3.417 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)c([O-])c1 ZINC000385490027 1297583275 /nfs/dbraw/zinc/58/32/75/1297583275.db2.gz HXXHZUKXRHNJMZ-PKOBYXMFSA-N 0 3 340.467 3.252 20 10 EGCDHN CC(C)(C)OC(=O)NC[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)C1CC1 ZINC000393828091 1297671551 /nfs/dbraw/zinc/67/15/51/1297671551.db2.gz IQKZQINADRHXIM-GJZGRUSLSA-N 0 3 332.444 3.272 20 10 EGCDHN [O-]c1c(F)cc(Br)cc1CN[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000715780822 1298285454 /nfs/dbraw/zinc/28/54/54/1298285454.db2.gz YVEXUXJYOOEDKO-UONOGXRCSA-N 0 3 343.240 3.010 20 10 EGCDHN [O-]c1c(F)cc(Br)cc1CN[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000715780822 1298285460 /nfs/dbraw/zinc/28/54/60/1298285460.db2.gz YVEXUXJYOOEDKO-UONOGXRCSA-N 0 3 343.240 3.010 20 10 EGCDHN Cc1cccc([O-])c1C[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000876649401 1298896138 /nfs/dbraw/zinc/89/61/38/1298896138.db2.gz VBIIZUFWDLJQCR-UHFFFAOYSA-N 0 3 330.472 3.362 20 10 EGCDHN CCN(C[C@@H]1CC[N@H+](Cc2c(C)cccc2[O-])C1)CC(F)(F)F ZINC000876780526 1298981946 /nfs/dbraw/zinc/98/19/46/1298981946.db2.gz HJUMBCSFRHFRTA-AWEZNQCLSA-N 0 3 330.394 3.407 20 10 EGCDHN CCN(C[C@@H]1CC[N@@H+](Cc2c(C)cccc2[O-])C1)CC(F)(F)F ZINC000876780526 1298981960 /nfs/dbraw/zinc/98/19/60/1298981960.db2.gz HJUMBCSFRHFRTA-AWEZNQCLSA-N 0 3 330.394 3.407 20 10 EGCDHN Cc1ccc(C[NH2+]CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000877015340 1299115203 /nfs/dbraw/zinc/11/52/03/1299115203.db2.gz MMVYOLPHCXAKJA-HNNXBMFYSA-N 0 3 334.460 3.437 20 10 EGCDHN COc1ccc(N2CC[C@@H](C[NH2+]Cc3c(C)cccc3[O-])C2)cc1 ZINC000877597872 1299423168 /nfs/dbraw/zinc/42/31/68/1299423168.db2.gz BJKAPUZAYUNHHX-INIZCTEOSA-N 0 3 326.440 3.325 20 10 EGCDHN COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccc(C)cc3[O-])C2)cc1 ZINC000877598731 1299424248 /nfs/dbraw/zinc/42/42/48/1299424248.db2.gz SAIHMTGTAGSTRH-INIZCTEOSA-N 0 3 326.440 3.325 20 10 EGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H](c4nccn4C)C3)c2c1 ZINC000755787410 1300397024 /nfs/dbraw/zinc/39/70/24/1300397024.db2.gz DFNZGFRNVPPMIL-OAHLLOKOSA-N 0 3 337.423 3.277 20 10 EGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H](c4nccn4C)C3)c2c1 ZINC000755787410 1300397036 /nfs/dbraw/zinc/39/70/36/1300397036.db2.gz DFNZGFRNVPPMIL-OAHLLOKOSA-N 0 3 337.423 3.277 20 10 EGCDHN C[C@H]1C[C@@H]([NH2+]CCNC(=O)c2ccc(F)cc2)c2c1c(F)ccc2[O-] ZINC000756454229 1300494805 /nfs/dbraw/zinc/49/48/05/1300494805.db2.gz KNZQPKBBFXQSQG-XHDPSFHLSA-N 0 3 346.377 3.238 20 10 EGCDHN Cc1ccc(NC(=O)NC(=O)C[NH2+][C@H](C)c2ccccc2[O-])c(C)c1 ZINC000879648530 1300647776 /nfs/dbraw/zinc/64/77/76/1300647776.db2.gz SICWSBRXIGRFBH-CQSZACIVSA-N 0 3 341.411 3.008 20 10 EGCDHN C[C@@H]([NH2+]CC(=O)N1CCc2[nH]c3ccccc3c2C1)c1ccccc1[O-] ZINC000879648650 1300648914 /nfs/dbraw/zinc/64/89/14/1300648914.db2.gz XOFRIZIHQDFULP-CQSZACIVSA-N 0 3 349.434 3.109 20 10 EGCDHN C[C@@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000762648602 1301721061 /nfs/dbraw/zinc/72/10/61/1301721061.db2.gz JYTWLMIZZZQCMS-UONOGXRCSA-N 0 3 326.868 3.197 20 10 EGCDHN C[C@H](NCc1cccc(C(=O)N(C)C)c1)c1ccc(N(C)C)cc1 ZINC000764774655 1302133963 /nfs/dbraw/zinc/13/39/63/1302133963.db2.gz PJSLVUFVJYCETN-HNNXBMFYSA-N 0 3 325.456 3.305 20 10 EGCDHN CCOc1cccc(CN(C)Cc2ccc(OC)c(OC)c2)c1O ZINC000768169211 1302843193 /nfs/dbraw/zinc/84/31/93/1302843193.db2.gz SSKCJHJDEXLTKN-UHFFFAOYSA-N 0 3 331.412 3.440 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CC=C(c3ccc(F)cc3)CC1)[C@@H](O)CO2 ZINC000768441936 1302904118 /nfs/dbraw/zinc/90/41/18/1302904118.db2.gz MGVACWYDEKOVAN-IBGZPJMESA-N 0 3 341.382 3.246 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CC=C(c3ccc(F)cc3)CC1)[C@@H](O)CO2 ZINC000768441936 1302904124 /nfs/dbraw/zinc/90/41/24/1302904124.db2.gz MGVACWYDEKOVAN-IBGZPJMESA-N 0 3 341.382 3.246 20 10 EGCDHN Oc1cc2c(cc1CN1CCCN(CC(F)(F)F)CC1)CCCC2 ZINC000768445173 1302906714 /nfs/dbraw/zinc/90/67/14/1302906714.db2.gz FYHVICRDLBODKG-UHFFFAOYSA-N 0 3 342.405 3.341 20 10 EGCDHN C[N@H+](Cc1cc2ccccc2o1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768465738 1302912851 /nfs/dbraw/zinc/91/28/51/1302912851.db2.gz JRWZENFVDZOYDT-QGZVFWFLSA-N 0 3 325.364 3.196 20 10 EGCDHN C[N@@H+](Cc1cc2ccccc2o1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768465738 1302912862 /nfs/dbraw/zinc/91/28/62/1302912862.db2.gz JRWZENFVDZOYDT-QGZVFWFLSA-N 0 3 325.364 3.196 20 10 EGCDHN CCOc1cccc(CN2CCC([C@@](C)(O)C(F)(F)F)CC2)c1O ZINC000768531614 1302927497 /nfs/dbraw/zinc/92/74/97/1302927497.db2.gz GRYRJDXTQDMACX-MRXNPFEDSA-N 0 3 347.377 3.316 20 10 EGCDHN CCOc1ccc(C[N@H+](C)CCOc2ccccc2OC)c([O-])c1 ZINC000768822977 1302987499 /nfs/dbraw/zinc/98/74/99/1302987499.db2.gz LCMWCTGDHDIRCH-UHFFFAOYSA-N 0 3 331.412 3.310 20 10 EGCDHN CCOc1ccc(C[N@@H+](C)CCOc2ccccc2OC)c([O-])c1 ZINC000768822977 1302987504 /nfs/dbraw/zinc/98/75/04/1302987504.db2.gz LCMWCTGDHDIRCH-UHFFFAOYSA-N 0 3 331.412 3.310 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC3(C[C@H]3C(=O)OC)CC2)cc1F ZINC000769426132 1303111208 /nfs/dbraw/zinc/11/12/08/1303111208.db2.gz CFXVPVLLYNLYCN-INIZCTEOSA-N 0 3 348.462 3.447 20 10 EGCDHN CCOc1ccc(CN2C[C@H](CC)N(C(C)=O)C[C@@H]2CC)c(O)c1 ZINC000769495284 1303127237 /nfs/dbraw/zinc/12/72/37/1303127237.db2.gz DNZUPAZVPGJDME-IRXDYDNUSA-N 0 3 334.460 3.012 20 10 EGCDHN CCOc1ccc(C[N@@H+]2C[C@H](CC)N(C(C)=O)C[C@@H]2CC)c([O-])c1 ZINC000769495284 1303127242 /nfs/dbraw/zinc/12/72/42/1303127242.db2.gz DNZUPAZVPGJDME-IRXDYDNUSA-N 0 3 334.460 3.012 20 10 EGCDHN CCOc1ccc(C[N@H+]2C[C@H](CC)N(C(C)=O)C[C@@H]2CC)c([O-])c1 ZINC000769495284 1303127244 /nfs/dbraw/zinc/12/72/44/1303127244.db2.gz DNZUPAZVPGJDME-IRXDYDNUSA-N 0 3 334.460 3.012 20 10 EGCDHN C[C@H](CN[C@@H](C)c1ccc(N2CCCCCC2)cc1)S(C)(=O)=O ZINC000773107608 1303625900 /nfs/dbraw/zinc/62/59/00/1303625900.db2.gz YIQDCZSWYYDQHM-CVEARBPZSA-N 0 3 338.517 3.151 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCc3cc(O)ccc3C2)c1[O-] ZINC000775173866 1303919309 /nfs/dbraw/zinc/91/93/09/1303919309.db2.gz STVJQKSZEKYALP-HNNXBMFYSA-N 0 3 333.815 3.407 20 10 EGCDHN CC[C@H]([NH2+]C[C@H](C)N1CCN(CC)CC1)c1cc(Cl)ccc1[O-] ZINC000775486450 1303971863 /nfs/dbraw/zinc/97/18/63/1303971863.db2.gz BCUUCJLQLAEZNE-YOEHRIQHSA-N 0 3 339.911 3.112 20 10 EGCDHN Cc1cc(Br)cc(CN2CCN(C3CCC3)CC2)c1O ZINC000775702516 1304017870 /nfs/dbraw/zinc/01/78/70/1304017870.db2.gz XYROCLQVWMUENA-UHFFFAOYSA-N 0 3 339.277 3.133 20 10 EGCDHN CCOc1ccccc1NC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775834007 1304046479 /nfs/dbraw/zinc/04/64/79/1304046479.db2.gz ODHLAGROUNTXGP-HNNXBMFYSA-N 0 3 341.455 3.441 20 10 EGCDHN C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1cc(F)ccc1[O-] ZINC000778996992 1304516122 /nfs/dbraw/zinc/51/61/22/1304516122.db2.gz YMJHKQAOVXHMCF-UHFFFAOYSA-N 0 3 328.387 3.056 20 10 EGCDHN C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1cc(F)ccc1[O-] ZINC000778996992 1304516127 /nfs/dbraw/zinc/51/61/27/1304516127.db2.gz YMJHKQAOVXHMCF-UHFFFAOYSA-N 0 3 328.387 3.056 20 10 EGCDHN O=C(CC1CC[NH+](Cc2cc(F)ccc2[O-])CC1)NC1CCCC1 ZINC000778999475 1304516481 /nfs/dbraw/zinc/51/64/81/1304516481.db2.gz NBAVCTKBKQGTTC-UHFFFAOYSA-N 0 3 334.435 3.192 20 10 EGCDHN COC(=O)C(C)(C)[C@H]1CCCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000779605754 1304586732 /nfs/dbraw/zinc/58/67/32/1304586732.db2.gz YKPKZRBZPPLMNZ-HNNXBMFYSA-N 0 3 336.451 3.303 20 10 EGCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CC23CCCC3)N(C)C)cc1 ZINC000891252659 1305000243 /nfs/dbraw/zinc/00/02/43/1305000243.db2.gz LWNGBFWGZCFWSE-ZWKOTPCHSA-N 0 3 329.488 3.052 20 10 EGCDHN O=C1[C@H](NCc2ccc3c(c2)CCO3)CCCN1C1CCCCC1 ZINC000785549517 1305375584 /nfs/dbraw/zinc/37/55/84/1305375584.db2.gz VJNJUIXWUSMMHH-GOSISDBHSA-N 0 3 328.456 3.035 20 10 EGCDHN COc1ccc(F)cc1[C@@H](C)NCc1ccc(OC)c(OC)c1O ZINC000892606692 1305466772 /nfs/dbraw/zinc/46/67/72/1305466772.db2.gz LANWVCQVRIKFPO-LLVKDONJSA-N 0 3 335.375 3.408 20 10 EGCDHN COc1ccc(CN[C@@H]2CCOc3c(OC)cccc32)c(O)c1OC ZINC000892948815 1305622115 /nfs/dbraw/zinc/62/21/15/1305622115.db2.gz BMHSJWJXEJWXFL-CQSZACIVSA-N 0 3 345.395 3.031 20 10 EGCDHN O=[N+]([O-])c1cc(CNCCOC(F)(F)F)ccc1N1CCCCC1 ZINC000788970908 1306054405 /nfs/dbraw/zinc/05/44/05/1306054405.db2.gz XOTLBPHPXQFRMF-UHFFFAOYSA-N 0 3 347.337 3.211 20 10 EGCDHN Cc1ncoc1CN[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000894314880 1306339248 /nfs/dbraw/zinc/33/92/48/1306339248.db2.gz LNQBZEJCVWRNAU-CYBMUJFWSA-N 0 3 337.370 3.343 20 10 EGCDHN CN(C)c1ccc(CN(C)C(=O)NC[C@@H]2N(C)CCCC2(C)C)cc1 ZINC000790544677 1306348973 /nfs/dbraw/zinc/34/89/73/1306348973.db2.gz YGVPUCWZZXKGGL-SFHVURJKSA-N 0 3 346.519 3.014 20 10 EGCDHN COc1ccc2c(c1)[C@@H](NCc1cc(C)cc(OC)c1O)CCO2 ZINC000894474652 1308910382 /nfs/dbraw/zinc/91/03/82/1308910382.db2.gz WLUOSGBSTCCGRB-INIZCTEOSA-N 0 3 329.396 3.331 20 10 EGCDHN COc1ccc(O)c(CN[C@H](C)c2ccc(Br)cn2)c1 ZINC000793332297 1309349362 /nfs/dbraw/zinc/34/93/62/1309349362.db2.gz HCEMQYJJCHYHGX-SNVBAGLBSA-N 0 3 337.217 3.409 20 10 EGCDHN Cc1cc(CN2CCO[C@]3(CCO[C@@H]3C)C2)c(O)c(C(C)(C)C)c1 ZINC000794666013 1309566968 /nfs/dbraw/zinc/56/69/68/1309566968.db2.gz MIGREUKPHJINHY-FOIQADDNSA-N 0 3 333.472 3.378 20 10 EGCDHN CN(C)c1ccc(CN[C@@]2(CO)CCCc3ccccc32)cc1F ZINC000799343941 1310530517 /nfs/dbraw/zinc/53/05/17/1310530517.db2.gz QNIVOLSOQQUAGJ-HXUWFJFHSA-N 0 3 328.431 3.205 20 10 EGCDHN CCOc1ccccc1CN1CCN(Cc2ccccc2O)[C@@H](C)C1 ZINC000799737745 1310609641 /nfs/dbraw/zinc/60/96/41/1310609641.db2.gz KSYIWGYYEYGAKC-KRWDZBQOSA-N 0 3 340.467 3.497 20 10 EGCDHN CC[C@@H](C)[C@@H](C[NH2+]Cc1cc(Br)cc(OC)c1[O-])OC ZINC000824596057 1320268374 /nfs/dbraw/zinc/26/83/74/1320268374.db2.gz FRYKARYCFSXPCH-QMTHXVAHSA-N 0 3 346.265 3.314 20 10 EGCDHN COCC(COC)NCc1ccc(N(C)Cc2cccs2)cc1 ZINC000824926731 1320297162 /nfs/dbraw/zinc/29/71/62/1320297162.db2.gz QWAAVQZOCQRJRN-UHFFFAOYSA-N 0 3 334.485 3.136 20 10 EGCDHN COc1ccc(O)c([C@@H](C)N[C@@H](C)C(=O)N(C)c2ccccc2)c1 ZINC000839540183 1320935163 /nfs/dbraw/zinc/93/51/63/1320935163.db2.gz SKGRGBIRJZDQEE-KGLIPLIRSA-N 0 3 328.412 3.103 20 10 EGCDHN C[C@@H](NCC(=O)N(C)Cc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000839562707 1320938903 /nfs/dbraw/zinc/93/89/03/1320938903.db2.gz BDLATBXVPXJUDJ-OAHLLOKOSA-N 0 3 343.446 3.201 20 10 EGCDHN C[C@H](NCc1cc(F)c(N(C)C)cc1F)[C@@H](O)c1ccc(F)cc1 ZINC000858138715 1328693037 /nfs/dbraw/zinc/69/30/37/1328693037.db2.gz IYZREXDNNRJIRA-BBATYDOGSA-N 0 3 338.373 3.382 20 10 EGCDHN CNc1ccc(C)cc1CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000902079142 1317517850 /nfs/dbraw/zinc/51/78/50/1317517850.db2.gz SIXJEBMJBZHKDD-UHFFFAOYSA-N 0 3 343.446 3.302 20 10 EGCDHN COc1cc(Br)cc(C[NH2+]C[C@H]2CCCSC2)c1[O-] ZINC000808429950 1317676749 /nfs/dbraw/zinc/67/67/49/1317676749.db2.gz KOACHNLSJYKAFH-SNVBAGLBSA-N 0 3 346.290 3.396 20 10 EGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCc2nnc3ccccn32)c1[O-] ZINC000808672044 1317712397 /nfs/dbraw/zinc/71/23/97/1317712397.db2.gz BAFMOFYFJNUXHQ-GFCCVEGCSA-N 0 3 330.819 3.290 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](O)COc2ccccc2)c1[O-] ZINC000808675160 1317713984 /nfs/dbraw/zinc/71/39/84/1317713984.db2.gz YBSFBZVTAGHLAA-ZFWWWQNUSA-N 0 3 335.831 3.445 20 10 EGCDHN CON(C)C(=O)CC[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000808742484 1317728314 /nfs/dbraw/zinc/72/83/14/1317728314.db2.gz WGKAWHABNHJHNJ-INIZCTEOSA-N 0 3 342.439 3.365 20 10 EGCDHN CON(C)C(=O)CC[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000808742484 1317728318 /nfs/dbraw/zinc/72/83/18/1317728318.db2.gz WGKAWHABNHJHNJ-INIZCTEOSA-N 0 3 342.439 3.365 20 10 EGCDHN COc1cccc([O-])c1C[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000809749344 1317890531 /nfs/dbraw/zinc/89/05/31/1317890531.db2.gz MTWYATXHFLOBPM-UHFFFAOYSA-N 0 3 329.444 3.290 20 10 EGCDHN COc1ccc(CN[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1C ZINC000812782692 1318453324 /nfs/dbraw/zinc/45/33/24/1318453324.db2.gz DMTPCBMHWKLAQS-OAHLLOKOSA-N 0 3 328.387 3.038 20 10 EGCDHN Cc1ccc([C@H](C)NCc2cc(C)nc(N3CCCC3)n2)c(O)c1 ZINC000813886190 1318652224 /nfs/dbraw/zinc/65/22/24/1318652224.db2.gz XUIURFQWRCUUAG-HNNXBMFYSA-N 0 3 326.444 3.250 20 10 EGCDHN CCOC1(C)CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000814170475 1318687482 /nfs/dbraw/zinc/68/74/82/1318687482.db2.gz WVZNWCPPSRFZQW-UHFFFAOYSA-N 0 3 336.451 3.053 20 10 EGCDHN CCN(C)c1ccc(CN2CCC[C@@](O)(C(F)(F)F)CC2)cc1 ZINC000815117728 1318898565 /nfs/dbraw/zinc/89/85/65/1318898565.db2.gz PGPUPNBXZDPCIB-INIZCTEOSA-N 0 3 330.394 3.422 20 10 EGCDHN CCCNC(=O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815553721 1319014509 /nfs/dbraw/zinc/01/45/09/1319014509.db2.gz IFFVXXNWDLTIHM-GOSISDBHSA-N 0 3 326.440 3.182 20 10 EGCDHN CO[C@H](CN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl)C1CC1 ZINC000815651340 1319036386 /nfs/dbraw/zinc/03/63/86/1319036386.db2.gz QGZRSVBGHXNVSL-SCLBCKFNSA-N 0 3 338.879 3.252 20 10 EGCDHN COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OC)cc2[O-])C1 ZINC000816597186 1319190387 /nfs/dbraw/zinc/19/03/87/1319190387.db2.gz INUIDRADLVUJIJ-GOEBONIOSA-N 0 3 335.444 3.393 20 10 EGCDHN Cc1cc(C(=O)OCCN2CCCCC2)c(C)n1-c1ccccn1 ZINC000914908224 1319398736 /nfs/dbraw/zinc/39/87/36/1319398736.db2.gz ZAFVUVCMSCSAAC-UHFFFAOYSA-N 0 3 327.428 3.132 20 10 EGCDHN CCN(Cc1ccccc1)c1ccc(CNCC(=O)NC2CC2)cc1 ZINC000915226115 1319448657 /nfs/dbraw/zinc/44/86/57/1319448657.db2.gz CFASVCXJNDGLSQ-UHFFFAOYSA-N 0 3 337.467 3.081 20 10 EGCDHN N[C@H](CC1CCCCC1)C(=O)NCCCSc1nccs1 ZINC000817941942 1319469975 /nfs/dbraw/zinc/46/99/75/1319469975.db2.gz UDSHVSLLUHSBOZ-CYBMUJFWSA-N 0 3 327.519 3.039 20 10 EGCDHN CC[C@H]([NH2+]C[C@@H]1CNCCCO1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817983208 1319485543 /nfs/dbraw/zinc/48/55/43/1319485543.db2.gz ZIWVIGGNHFTABG-FZMZJTMJSA-N 0 3 333.259 3.118 20 10 EGCDHN CC(C)n1cncc1CNCc1ccc(N2CCSCC2)cc1 ZINC000818180153 1319511264 /nfs/dbraw/zinc/51/12/64/1319511264.db2.gz UBQRKTVQNHLBOT-UHFFFAOYSA-N 0 3 330.501 3.307 20 10 EGCDHN [O-]c1ccccc1C[N@@H+](Cc1ccc2nonc2c1)C[C@@H]1CCCO1 ZINC000821390796 1320010749 /nfs/dbraw/zinc/01/07/49/1320010749.db2.gz DZMDIUAIQLKITQ-INIZCTEOSA-N 0 3 339.395 3.110 20 10 EGCDHN [O-]c1ccccc1C[N@H+](Cc1ccc2nonc2c1)C[C@@H]1CCCO1 ZINC000821390796 1320010751 /nfs/dbraw/zinc/01/07/51/1320010751.db2.gz DZMDIUAIQLKITQ-INIZCTEOSA-N 0 3 339.395 3.110 20 10 EGCDHN CCN1CC[C@H]([N@H+](C)Cc2ccc(Br)cc2[O-])C[C@@H]1C ZINC000824855924 1320291228 /nfs/dbraw/zinc/29/12/28/1320291228.db2.gz SAIHTHCMAALNQU-WFASDCNBSA-N 0 3 341.293 3.459 20 10 EGCDHN CCN1CC[C@H]([N@@H+](C)Cc2ccc(Br)cc2[O-])C[C@@H]1C ZINC000824855924 1320291231 /nfs/dbraw/zinc/29/12/31/1320291231.db2.gz SAIHTHCMAALNQU-WFASDCNBSA-N 0 3 341.293 3.459 20 10 EGCDHN CCN(Cc1cnc(C)n1C)Cc1cc(Br)ccc1O ZINC000824913384 1320295586 /nfs/dbraw/zinc/29/55/86/1320295586.db2.gz QSHOIFAFDOQECP-UHFFFAOYSA-N 0 3 338.249 3.219 20 10 EGCDHN CC[C@H]([NH2+][C@@H](C)C(=O)NCCc1ccccc1)c1ccccc1[O-] ZINC000825040456 1320306184 /nfs/dbraw/zinc/30/61/84/1320306184.db2.gz KVNYPRCZJVVRHJ-YJBOKZPZSA-N 0 3 326.440 3.180 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+]CCC[C@@H]2CCOC2)c1[O-] ZINC000825144957 1320314750 /nfs/dbraw/zinc/31/47/50/1320314750.db2.gz SZRHVYDEZMAPBL-GFCCVEGCSA-N 0 3 328.250 3.369 20 10 EGCDHN COc1cc(Br)cc(C[NH2+]CC(C)(C)C(C)(C)O)c1[O-] ZINC000825200511 1320317962 /nfs/dbraw/zinc/31/79/62/1320317962.db2.gz DPKKTRZIUVEXRX-UHFFFAOYSA-N 0 3 346.265 3.050 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCC(=O)N2CCC[C@H]3CCCC[C@H]32)c1 ZINC000839539393 1320934796 /nfs/dbraw/zinc/93/47/96/1320934796.db2.gz MLMZZUXVFVOEHW-HDMKZQKVSA-N 0 3 346.471 3.233 20 10 EGCDHN O=C1NCCC[C@H]1C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000840825741 1321157316 /nfs/dbraw/zinc/15/73/16/1321157316.db2.gz KFTUMUDQDLVASB-HKUYNNGSSA-N 0 3 338.451 3.182 20 10 EGCDHN NC(=O)OC[C@H](Cc1ccccc1)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000840862950 1321164408 /nfs/dbraw/zinc/16/44/08/1321164408.db2.gz CSQSBDRZAGNXOF-HOTGVXAUSA-N 0 3 326.396 3.090 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+][C@H](COC(N)=O)Cc2ccccc2)c([O-])c1 ZINC000840866797 1321164920 /nfs/dbraw/zinc/16/49/20/1321164920.db2.gz ZUINJOOQZWFDKT-HOCLYGCPSA-N 0 3 328.412 3.472 20 10 EGCDHN Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@H](C)c1cc2n(n1)CCC2 ZINC000840892942 1321172004 /nfs/dbraw/zinc/17/20/04/1321172004.db2.gz FHRCZDBPBYAGLY-HZPDHXFCSA-N 0 3 326.488 3.486 20 10 EGCDHN CCc1ccc([C@@H](CNC(=O)Nc2ccc(N)cc2)N(C)C)cc1 ZINC000841301645 1321249694 /nfs/dbraw/zinc/24/96/94/1321249694.db2.gz BVHLGOHFRSJVJQ-GOSISDBHSA-N 0 3 326.444 3.256 20 10 EGCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCS[C@@H]2C)c1[O-] ZINC000842778042 1321431378 /nfs/dbraw/zinc/43/13/78/1321431378.db2.gz DJZATBKUICSGHQ-LDYMZIIASA-N 0 3 332.263 3.147 20 10 EGCDHN COc1cccc([C@@H](C)NCc2cnn(Cc3ccccc3)c2)c1O ZINC000846139635 1321770629 /nfs/dbraw/zinc/77/06/29/1321770629.db2.gz PNYLLPZEANDFHZ-OAHLLOKOSA-N 0 3 337.423 3.496 20 10 EGCDHN COc1cccc([C@@H](C)NCc2ccc(OC)c([N+](=O)[O-])c2)c1O ZINC000846142991 1321771410 /nfs/dbraw/zinc/77/14/10/1321771410.db2.gz XLIDTDRKQLIENU-LLVKDONJSA-N 0 3 332.356 3.168 20 10 EGCDHN Fc1cc(CNCc2ccc3[nH]ccc3c2)ccc1N1CCOCC1 ZINC000848531179 1321970122 /nfs/dbraw/zinc/97/01/22/1321970122.db2.gz OIRYBEFDSVFENI-UHFFFAOYSA-N 0 3 339.414 3.433 20 10 EGCDHN CCc1nc([C@H](C)NCc2cc(OC)cc(C(C)(C)C)c2O)n[nH]1 ZINC000850228363 1322210729 /nfs/dbraw/zinc/21/07/29/1322210729.db2.gz PICZFNWSLMRQJM-NSHDSACASA-N 0 3 332.448 3.230 20 10 EGCDHN CCOc1cccc(CN[C@@H](COC)c2cccc(OC)c2)c1O ZINC000850362368 1322234662 /nfs/dbraw/zinc/23/46/62/1322234662.db2.gz MDVOJVKBVDWKBP-KRWDZBQOSA-N 0 3 331.412 3.277 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)C2(CO)CC2)c1[O-] ZINC000850516544 1322260037 /nfs/dbraw/zinc/26/00/37/1322260037.db2.gz WYJPWXQOPNLIFX-MNOVXSKESA-N 0 3 328.250 3.275 20 10 EGCDHN COc1ccc(N2CCC(NCc3cc(C4CC4)n(C)n3)CC2)cc1 ZINC000922953178 1322658906 /nfs/dbraw/zinc/65/89/06/1322658906.db2.gz NFGPOCPYJBMSGW-UHFFFAOYSA-N 0 3 340.471 3.065 20 10 EGCDHN C[C@H]([NH2+]CC1(N)CCCC1)c1cc(Br)cc(F)c1[O-] ZINC000854222034 1325230557 /nfs/dbraw/zinc/23/05/57/1325230557.db2.gz BUKMYVJQQJTEJT-VIFPVBQESA-N 0 3 331.229 3.216 20 10 EGCDHN C[C@H]1CC[C@H](C)N1CC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000854514423 1325270194 /nfs/dbraw/zinc/27/01/94/1325270194.db2.gz BLSOJNNEGKDKEI-GJZGRUSLSA-N 0 3 349.438 3.208 20 10 EGCDHN C[NH+](C)[C@H]1CCCN(Cc2c([O-])cccc2Br)CC1 ZINC000862347056 1329476472 /nfs/dbraw/zinc/47/64/72/1329476472.db2.gz KUMZNHIRFWHUPM-LBPRGKRZSA-N 0 3 327.266 3.071 20 10 EGCDHN C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1c([O-])cccc1Br ZINC000862365293 1329478281 /nfs/dbraw/zinc/47/82/81/1329478281.db2.gz ONDVBZIHRQARQU-OLZOCXBDSA-N 0 3 339.277 3.213 20 10 EGCDHN O=C1C[C@@]2(CC[N@@H+](Cc3ccccc3[O-])C2)CN1c1cccc(F)c1 ZINC001203552199 1370166822 /nfs/dbraw/zinc/16/68/22/1370166822.db2.gz DPGXFFYEYVZVJD-HXUWFJFHSA-N 0 3 340.398 3.160 20 10 EGCDHN O=C1C[C@@]2(CC[N@H+](Cc3ccccc3[O-])C2)CN1c1cccc(F)c1 ZINC001203552199 1370166826 /nfs/dbraw/zinc/16/68/26/1370166826.db2.gz DPGXFFYEYVZVJD-HXUWFJFHSA-N 0 3 340.398 3.160 20 10 EGCDHN CC(C)N(C)Cc1cnc2n1CCN(Cc1ccccc1O)[C@@H]2C ZINC001203552189 1370167149 /nfs/dbraw/zinc/16/71/49/1370167149.db2.gz DIFXSVUXHFSCLH-OAHLLOKOSA-N 0 3 328.460 3.006 20 10 EGCDHN O=C1NC2(C[C@H]1c1ccccc1)CC[NH+](Cc1ccccc1[O-])CC2 ZINC001203552659 1370167696 /nfs/dbraw/zinc/16/76/96/1370167696.db2.gz PODUDYNAHDHAMJ-SFHVURJKSA-N 0 3 336.435 3.031 20 10 EGCDHN CCOc1cccc(N2CCN(Cc3ccc(OC)cc3O)CC2)c1 ZINC001203629040 1370193110 /nfs/dbraw/zinc/19/31/10/1370193110.db2.gz PKGXVPUDJJETGA-UHFFFAOYSA-N 0 3 342.439 3.122 20 10 EGCDHN COC(=O)c1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(O)cc2[O-])cc1 ZINC001204280715 1370431423 /nfs/dbraw/zinc/43/14/23/1370431423.db2.gz CKAZMYDXRJNWPQ-KRWDZBQOSA-N 0 3 327.380 3.222 20 10 EGCDHN COC(=O)c1ccc([C@@H]2CCC[N@H+]2Cc2ccc(O)cc2[O-])cc1 ZINC001204280715 1370431424 /nfs/dbraw/zinc/43/14/24/1370431424.db2.gz CKAZMYDXRJNWPQ-KRWDZBQOSA-N 0 3 327.380 3.222 20 10 EGCDHN CCOC(=O)C1(C)CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204322648 1370444126 /nfs/dbraw/zinc/44/41/26/1370444126.db2.gz UTRWNUFXKSUEIJ-UHFFFAOYSA-N 0 3 330.472 3.452 20 10 EGCDHN c1cnc(OC2CCN(Cc3ccc(N4CCCC4)cc3)CC2)nc1 ZINC001204322990 1370444155 /nfs/dbraw/zinc/44/41/55/1370444155.db2.gz YGDKIAHSTZTDAN-UHFFFAOYSA-N 0 3 338.455 3.120 20 10 EGCDHN Cc1cc(Br)c([O-])c(CN2CCC[C@](C)([NH3+])CC2)c1 ZINC001205288130 1370708080 /nfs/dbraw/zinc/70/80/80/1370708080.db2.gz GPHJDLVJJXFHOJ-HNNXBMFYSA-N 0 3 327.266 3.166 20 10 EGCDHN Cc1cc([O-])c(CN2CCC([NH2+]C3CCOCC3)CC2)cc1Cl ZINC001119450698 1371345982 /nfs/dbraw/zinc/34/59/82/1371345982.db2.gz MDWYIQDLSAXDFO-UHFFFAOYSA-N 0 3 338.879 3.087 20 10 EGCDHN CC(C)Oc1ncccc1CCN1CCCc2cc(O)c(O)cc2C1 ZINC001208800260 1371900668 /nfs/dbraw/zinc/90/06/68/1371900668.db2.gz LJTAPMIMESZWEP-UHFFFAOYSA-N 0 3 342.439 3.271 20 10 EGCDHN COc1ccc(-c2c(CN(C)Cc3ccccc3O)cnn2C)cc1 ZINC001232112657 1376401298 /nfs/dbraw/zinc/40/12/98/1376401298.db2.gz NDUJUBLGXXFRKV-UHFFFAOYSA-N 0 3 337.423 3.433 20 10 EGCDHN COc1ccc(-c2c(C[N@H+](C)Cc3ccccc3[O-])cnn2C)cc1 ZINC001232112657 1376401299 /nfs/dbraw/zinc/40/12/99/1376401299.db2.gz NDUJUBLGXXFRKV-UHFFFAOYSA-N 0 3 337.423 3.433 20 10 EGCDHN COc1ccc(-c2c(C[N@@H+](C)Cc3ccccc3[O-])cnn2C)cc1 ZINC001232112657 1376401303 /nfs/dbraw/zinc/40/13/03/1376401303.db2.gz NDUJUBLGXXFRKV-UHFFFAOYSA-N 0 3 337.423 3.433 20 10 EGCDHN FC[C@@H]1CCCN(Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232202642 1376416789 /nfs/dbraw/zinc/41/67/89/1376416789.db2.gz CQCQGQQAMGFHTM-HNNXBMFYSA-N 0 3 326.843 3.358 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OC)c1[O-] ZINC001233289272 1376606068 /nfs/dbraw/zinc/60/60/68/1376606068.db2.gz PHHPIPQNKRUAGG-BYCMXARLSA-N 0 3 325.836 3.301 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OC)c1[O-] ZINC001233289272 1376606072 /nfs/dbraw/zinc/60/60/72/1376606072.db2.gz PHHPIPQNKRUAGG-BYCMXARLSA-N 0 3 325.836 3.301 20 10 EGCDHN [O-]c1c(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)cccc1OC(F)(F)F ZINC001233736039 1376706153 /nfs/dbraw/zinc/70/61/53/1376706153.db2.gz BSOAQPJQQMHABU-BXUZGUMPSA-N 0 3 331.334 3.292 20 10 EGCDHN [O-]c1c(C[N@H+]2CC[C@H]3CCCO[C@@H]3C2)cccc1OC(F)(F)F ZINC001233736039 1376706156 /nfs/dbraw/zinc/70/61/56/1376706156.db2.gz BSOAQPJQQMHABU-BXUZGUMPSA-N 0 3 331.334 3.292 20 10 EGCDHN O=C1CCC[C@H]2C[N@@H+](Cc3cccc(OC(F)(F)F)c3[O-])C[C@@H]12 ZINC001233776137 1376713963 /nfs/dbraw/zinc/71/39/63/1376713963.db2.gz KTBMESHLAPSUGS-CMPLNLGQSA-N 0 3 329.318 3.092 20 10 EGCDHN O=C1CCC[C@H]2C[N@H+](Cc3cccc(OC(F)(F)F)c3[O-])C[C@@H]12 ZINC001233776137 1376713969 /nfs/dbraw/zinc/71/39/69/1376713969.db2.gz KTBMESHLAPSUGS-CMPLNLGQSA-N 0 3 329.318 3.092 20 10 EGCDHN COc1cc([O-])c(CN2CC[NH2+]C[C@@H]2Cc2ccccc2)c(Cl)c1 ZINC001235857324 1376904609 /nfs/dbraw/zinc/90/46/09/1376904609.db2.gz VEAIYEDOMUQUHV-HNNXBMFYSA-N 0 3 346.858 3.071 20 10 EGCDHN Cc1cc([O-])c(C[N@H+]2C[C@@H](CO)CC[C@@H]2C)cc1Br ZINC001237676266 1376983554 /nfs/dbraw/zinc/98/35/54/1376983554.db2.gz HKLOGAAEIBIBQY-RYUDHWBXSA-N 0 3 328.250 3.056 20 10 EGCDHN Cc1cc([O-])c(C[N@@H+]2C[C@@H](CO)CC[C@@H]2C)cc1Br ZINC001237676266 1376983560 /nfs/dbraw/zinc/98/35/60/1376983560.db2.gz HKLOGAAEIBIBQY-RYUDHWBXSA-N 0 3 328.250 3.056 20 10 EGCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c([O-])c1 ZINC001249208460 1377072970 /nfs/dbraw/zinc/07/29/70/1377072970.db2.gz ULEPKPXJKSXIJT-MRXNPFEDSA-N 0 3 343.398 3.236 20 10 EGCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)c([O-])c1 ZINC001249208460 1377072976 /nfs/dbraw/zinc/07/29/76/1377072976.db2.gz ULEPKPXJKSXIJT-MRXNPFEDSA-N 0 3 343.398 3.236 20 10 EGCDHN CCN1CC[C@]2(CCCN(Cc3c(C)n(C)c4ccccc43)C2)C1=O ZINC001138255386 1377694184 /nfs/dbraw/zinc/69/41/84/1377694184.db2.gz FMTNOIZSGWILPD-NRFANRHFSA-N 0 3 339.483 3.321 20 10 EGCDHN CCN(CC)c1ccc(CN2C[C@H](C(=O)OC)CC[C@H]2C)c(OC)c1 ZINC001138386418 1377714060 /nfs/dbraw/zinc/71/40/60/1377714060.db2.gz MRLQPDVNEUBCNQ-NVXWUHKLSA-N 0 3 348.487 3.315 20 10 EGCDHN CN1CCN(c2ccc(CN3Cc4cccc(F)c4C3)cc2)CC1 ZINC001139408779 1377880635 /nfs/dbraw/zinc/88/06/35/1377880635.db2.gz DAGZVCRTMONLHB-UHFFFAOYSA-N 0 3 325.431 3.093 20 10 EGCDHN Cc1cc(CN2CC[C@@H](C)[C@](O)(C(F)(F)F)C2)ccc1N(C)C ZINC001139669631 1377930741 /nfs/dbraw/zinc/93/07/41/1377930741.db2.gz FBKQRDXUQHCAIX-CJNGLKHVSA-N 0 3 330.394 3.196 20 10 EGCDHN Cc1cc(CN2CC3(CN(Cc4ccccc4)C3)C2)ccc1N(C)C ZINC001139672806 1377931627 /nfs/dbraw/zinc/93/16/27/1377931627.db2.gz GMODGZMUPSIHBV-UHFFFAOYSA-N 0 3 335.495 3.379 20 10 EGCDHN O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cc(F)ccc2[O-])N1c1ccccc1 ZINC001140054249 1377997071 /nfs/dbraw/zinc/99/70/71/1377997071.db2.gz NQNCRQZRPBXXKE-QZTJIDSGSA-N 0 3 340.398 3.301 20 10 EGCDHN O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cc(F)ccc2[O-])N1c1ccccc1 ZINC001140054249 1377997077 /nfs/dbraw/zinc/99/70/77/1377997077.db2.gz NQNCRQZRPBXXKE-QZTJIDSGSA-N 0 3 340.398 3.301 20 10 EGCDHN CC(C)(C)OC(=O)N1CC[C@]12CC[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001140062633 1377998925 /nfs/dbraw/zinc/99/89/25/1377998925.db2.gz BZWILGCDIGAKPT-SFHVURJKSA-N 0 3 336.407 3.117 20 10 EGCDHN CC(C)(C)OC(=O)N1CC[C@]12CC[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001140062633 1377998928 /nfs/dbraw/zinc/99/89/28/1377998928.db2.gz BZWILGCDIGAKPT-SFHVURJKSA-N 0 3 336.407 3.117 20 10 EGCDHN CCN1CCN(c2ccc(CN3CC[C@@](C)(F)[C@H](F)C3)cc2)CC1 ZINC001140302658 1378042766 /nfs/dbraw/zinc/04/27/66/1378042766.db2.gz WZBKEOUNNKQABZ-RTBURBONSA-N 0 3 337.458 3.101 20 10 EGCDHN [O-]c1cc(F)cc(F)c1C[NH+]1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC001140583659 1378090253 /nfs/dbraw/zinc/09/02/53/1378090253.db2.gz QBFHJTUIXNFQCV-HZPDHXFCSA-N 0 3 344.405 3.234 20 10 EGCDHN COc1cc([O-])c(C[NH+]2CCC(c3ccccn3)CC2)c(OC)c1 ZINC001141028452 1378211981 /nfs/dbraw/zinc/21/19/81/1378211981.db2.gz PBTRVJMVSQWMTA-UHFFFAOYSA-N 0 3 328.412 3.184 20 10 EGCDHN CN1CCOc2cc(CN3CCC[C@H](C(=O)OC(C)(C)C)C3)ccc21 ZINC001141142883 1378248702 /nfs/dbraw/zinc/24/87/02/1378248702.db2.gz FEMHVGKLMNSHMM-INIZCTEOSA-N 0 3 346.471 3.069 20 10 EGCDHN CN(Cc1ccc(N2CCCc3cc(O)c(O)cc3C2)nc1)C1CC1 ZINC001155945654 1380507298 /nfs/dbraw/zinc/50/72/98/1380507298.db2.gz ZWKMFIWEBYEEBB-UHFFFAOYSA-N 0 3 339.439 3.040 20 10 EGCDHN Cc1ccnnc1N[C@H](c1ccccc1O)[C@H]([NH3+])c1ccccc1[O-] ZINC001160616694 1382154055 /nfs/dbraw/zinc/15/40/55/1382154055.db2.gz PDIMFXAACUIJSS-QZTJIDSGSA-N 0 3 336.395 3.049 20 10 EGCDHN Cc1ccc(C)n1-c1ccc(NCCCN2CCN(C)CC2)cc1 ZINC001161708709 1382486654 /nfs/dbraw/zinc/48/66/54/1382486654.db2.gz SEUHYRZTSUGLGS-UHFFFAOYSA-N 0 3 326.488 3.144 20 10 EGCDHN CCCN(CC(=O)N[C@H](C)c1ccccc1)Cc1ccccc1O ZINC001331350301 1389713907 /nfs/dbraw/zinc/71/39/07/1389713907.db2.gz NPPNYZYMIZTCQS-MRXNPFEDSA-N 0 3 326.440 3.482 20 10 EGCDHN Cc1cc(CNCC(C)(C)S(C)(=O)=O)c(C)n1-c1cccc(C)c1 ZINC001334885606 1390613374 /nfs/dbraw/zinc/61/33/74/1390613374.db2.gz RYTSQRHBVMUQSO-UHFFFAOYSA-N 0 3 348.512 3.315 20 10 EGCDHN CN1CCN(c2ccc(CN3CCCC(F)(F)CC3)cc2F)CC1 ZINC001351629318 1391660370 /nfs/dbraw/zinc/66/03/70/1391660370.db2.gz WRWDBIYRWCLTTB-UHFFFAOYSA-N 0 3 341.421 3.199 20 10 EGCDHN Cc1cccc(C[NH2+]CC2=CCN(C(=O)OC(C)(C)C)CC2)c1[O-] ZINC000190068793 455276959 /nfs/dbraw/zinc/27/69/59/455276959.db2.gz FUJIFISHVGROPG-UHFFFAOYSA-N 0 3 332.444 3.357 20 10 EGCDHN C[C@@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000007114473 453033413 /nfs/dbraw/zinc/03/34/13/453033413.db2.gz RKCQADXIGYPNPS-MRXNPFEDSA-N 0 3 325.456 3.062 20 10 EGCDHN CC(C)C(=O)NC1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000077441283 454107121 /nfs/dbraw/zinc/10/71/21/454107121.db2.gz MZWOIUJBOJGHDQ-UHFFFAOYSA-N 0 3 326.440 3.282 20 10 EGCDHN Cn1cnnc1C1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000091794828 454473079 /nfs/dbraw/zinc/47/30/79/454473079.db2.gz LYHCKEGRNBUUKC-UHFFFAOYSA-N 0 3 339.487 3.185 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1)OCO2 ZINC000091891487 454484156 /nfs/dbraw/zinc/48/41/56/454484156.db2.gz MBQVIYZICUHCSU-UKRRQHHQSA-N 0 3 347.436 3.271 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1)OCO2 ZINC000091891487 454484159 /nfs/dbraw/zinc/48/41/59/454484159.db2.gz MBQVIYZICUHCSU-UKRRQHHQSA-N 0 3 347.436 3.271 20 10 EGCDHN Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cc(C)ccc3[O-])C2)nc1 ZINC000092005440 454502638 /nfs/dbraw/zinc/50/26/38/454502638.db2.gz OJHSBSBGGVXQFT-MRXNPFEDSA-N 0 3 339.439 3.255 20 10 EGCDHN Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cc(C)ccc3[O-])C2)nc1 ZINC000092005440 454502643 /nfs/dbraw/zinc/50/26/43/454502643.db2.gz OJHSBSBGGVXQFT-MRXNPFEDSA-N 0 3 339.439 3.255 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](c2cccc(F)c2)N(C)C)c1 ZINC000184835017 455456468 /nfs/dbraw/zinc/45/64/68/455456468.db2.gz OSDZXUGVILEPCU-SCLBCKFNSA-N 0 3 332.419 3.493 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC(OCCOC)CC2)cc1F ZINC000093339460 454703796 /nfs/dbraw/zinc/70/37/96/454703796.db2.gz QYPRCIPCFRJKRA-UHFFFAOYSA-N 0 3 338.467 3.299 20 10 EGCDHN CCN(C[C@H]1CC[N@H+](Cc2cccc(OC)c2[O-])C1)CC(F)(F)F ZINC000093771114 454734976 /nfs/dbraw/zinc/73/49/76/454734976.db2.gz CISFLDLATBZUPN-CYBMUJFWSA-N 0 3 346.393 3.107 20 10 EGCDHN CCN(C[C@H]1CC[N@@H+](Cc2cccc(OC)c2[O-])C1)CC(F)(F)F ZINC000093771114 454734980 /nfs/dbraw/zinc/73/49/80/454734980.db2.gz CISFLDLATBZUPN-CYBMUJFWSA-N 0 3 346.393 3.107 20 10 EGCDHN COCc1ccc([C@H]2CCCN2Cc2cc(OC)c(OC)cc2O)o1 ZINC000137082139 454768203 /nfs/dbraw/zinc/76/82/03/454768203.db2.gz GBIQSHBFEZDHBK-OAHLLOKOSA-N 0 3 347.411 3.486 20 10 EGCDHN C[C@@H](CNC(=O)N(C)Cc1ccccc1O)N(C)Cc1ccccc1 ZINC000111875717 454877343 /nfs/dbraw/zinc/87/73/43/454877343.db2.gz PGNBLGYJESICEU-INIZCTEOSA-N 0 3 341.455 3.054 20 10 EGCDHN COCC[C@H](C)[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000167909346 454924780 /nfs/dbraw/zinc/92/47/80/454924780.db2.gz ROADZGUBEOZEPU-BBRMVZONSA-N 0 3 326.868 3.025 20 10 EGCDHN C[C@H](NC[C@H](O)CC(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000178436670 454955520 /nfs/dbraw/zinc/95/55/20/454955520.db2.gz QIYZEOGTJMFDFV-GOEBONIOSA-N 0 3 338.467 3.110 20 10 EGCDHN CC[C@H]([NH2+]CCCS(=O)(=O)Cc1ccccc1)c1ccccc1[O-] ZINC000155243264 454979569 /nfs/dbraw/zinc/97/95/69/454979569.db2.gz LSDPXTHKLTWOMH-SFHVURJKSA-N 0 3 347.480 3.438 20 10 EGCDHN CC(C)[NH2+]C1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000179831606 455085915 /nfs/dbraw/zinc/08/59/15/455085915.db2.gz GYVVGGQVJGTDFV-UHFFFAOYSA-N 0 3 327.266 3.117 20 10 EGCDHN CC(=O)c1cc(F)cc(CN2CC[C@H](C)[C@@H](n3ccnc3)C2)c1[O-] ZINC000129374155 455108760 /nfs/dbraw/zinc/10/87/60/455108760.db2.gz NYGVZZAQFFFWRG-SJCJKPOMSA-N 0 3 331.391 3.014 20 10 EGCDHN CC(=O)c1cc(F)cc(CN2CC[C@H](C)[C@@H](n3ccnc3)C2)c1O ZINC000129374155 455108762 /nfs/dbraw/zinc/10/87/62/455108762.db2.gz NYGVZZAQFFFWRG-SJCJKPOMSA-N 0 3 331.391 3.014 20 10 EGCDHN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c1[O-] ZINC000129374155 455108764 /nfs/dbraw/zinc/10/87/64/455108764.db2.gz NYGVZZAQFFFWRG-SJCJKPOMSA-N 0 3 331.391 3.014 20 10 EGCDHN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c1[O-] ZINC000129374155 455108767 /nfs/dbraw/zinc/10/87/67/455108767.db2.gz NYGVZZAQFFFWRG-SJCJKPOMSA-N 0 3 331.391 3.014 20 10 EGCDHN CCN1CCN(c2ccc(CNc3cccc(C)n3)cc2F)CC1 ZINC000157472168 455198564 /nfs/dbraw/zinc/19/85/64/455198564.db2.gz FWLVYJCROWWERC-UHFFFAOYSA-N 0 3 328.435 3.283 20 10 EGCDHN CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)CC)cc1)c1ccccc1[O-] ZINC000157496641 455199796 /nfs/dbraw/zinc/19/97/96/455199796.db2.gz JVCZYFGLIYIFJC-KRWDZBQOSA-N 0 3 333.453 3.427 20 10 EGCDHN Cc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(C)cc2[O-])N2CCOCC2)o1 ZINC000184909663 455470301 /nfs/dbraw/zinc/47/03/01/455470301.db2.gz MSCDSUYEOBFDCU-FUHWJXTLSA-N 0 3 344.455 3.326 20 10 EGCDHN Cc1ccc([C@@H](C[NH2+][C@@H](C)c2cc(F)ccc2[O-])N2CCOCC2)o1 ZINC000184909844 455470615 /nfs/dbraw/zinc/47/06/15/455470615.db2.gz MGHAOOIMJAOAFF-WMLDXEAASA-N 0 3 348.418 3.157 20 10 EGCDHN COc1ccc(O)c([C@@H](C)NCc2ccc(OCC3CC3)nc2)c1 ZINC000185261919 455530799 /nfs/dbraw/zinc/53/07/99/455530799.db2.gz SBHUTQSDSCRFDE-CYBMUJFWSA-N 0 3 328.412 3.435 20 10 EGCDHN C[N@H+](Cc1ccccc1[O-])[C@@H](CO)c1cccc(Br)c1 ZINC000271452446 455642520 /nfs/dbraw/zinc/64/25/20/455642520.db2.gz UWUQGVBMKIEZHI-HNNXBMFYSA-N 0 3 336.229 3.320 20 10 EGCDHN C[N@@H+](Cc1ccccc1[O-])[C@@H](CO)c1cccc(Br)c1 ZINC000271452446 455642524 /nfs/dbraw/zinc/64/25/24/455642524.db2.gz UWUQGVBMKIEZHI-HNNXBMFYSA-N 0 3 336.229 3.320 20 10 EGCDHN CO[C@@H](c1ccc(F)cc1)[C@H](C)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000271473378 455650385 /nfs/dbraw/zinc/65/03/85/455650385.db2.gz KZXPFRZLCBNACC-BBATYDOGSA-N 0 3 333.359 3.126 20 10 EGCDHN C[C@@H]([NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)c1cc(F)ccc1[O-] ZINC000185980178 455667831 /nfs/dbraw/zinc/66/78/31/455667831.db2.gz TVMSHKJVCVKWLR-NWDGAFQWSA-N 0 3 326.412 3.485 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)c([O-])c1 ZINC000186127404 455699163 /nfs/dbraw/zinc/69/91/63/455699163.db2.gz BSMDCAHPHTUXNA-LZQZEXGQSA-N 0 3 332.488 3.119 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCNc2cc(OC)cc(OC)c2)c1 ZINC000186154907 455705378 /nfs/dbraw/zinc/70/53/78/455705378.db2.gz UZWXRDANAGUIEV-CYBMUJFWSA-N 0 3 346.427 3.181 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)c([O-])c1 ZINC000186191153 455712760 /nfs/dbraw/zinc/71/27/60/455712760.db2.gz IGIAACNPWSPPHL-FUHWJXTLSA-N 0 3 338.451 3.400 20 10 EGCDHN Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCCN(c3ccnn3C)C2)c([O-])c1 ZINC000284960469 455768379 /nfs/dbraw/zinc/76/83/79/455768379.db2.gz FKZOVSHZLAJMAG-HOTGVXAUSA-N 0 3 328.460 3.062 20 10 EGCDHN COc1cccc(C[NH2+]C2(Cc3cccc(F)c3)CCOCC2)c1[O-] ZINC000293016051 455771211 /nfs/dbraw/zinc/77/12/11/455771211.db2.gz OJZYKMSNHOEBJH-UHFFFAOYSA-N 0 3 345.414 3.421 20 10 EGCDHN COCC[C@](C)(O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000293600901 455792312 /nfs/dbraw/zinc/79/23/12/455792312.db2.gz GAUMSKWCUIIYAI-FPOVZHCZSA-N 0 3 343.467 3.443 20 10 EGCDHN Cc1cc(C)c([C@@H](C)NCCS(=O)(=O)Cc2ccccc2)c(O)c1 ZINC000293677684 455794640 /nfs/dbraw/zinc/79/46/40/455794640.db2.gz KEBFSLPLJOPQNB-MRXNPFEDSA-N 0 3 347.480 3.275 20 10 EGCDHN CNC(=O)CCC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000293674092 455794709 /nfs/dbraw/zinc/79/47/09/455794709.db2.gz JXSGINRQXLLTCK-GOSISDBHSA-N 0 3 326.440 3.182 20 10 EGCDHN C[C@H](NCc1cccc(N2CCOCC2)c1)c1ccc(N(C)C)cc1 ZINC000293709610 455794755 /nfs/dbraw/zinc/79/47/55/455794755.db2.gz MQRRZSFSFMBRTH-KRWDZBQOSA-N 0 3 339.483 3.440 20 10 EGCDHN CCS(=O)(=O)CC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000293683371 455795168 /nfs/dbraw/zinc/79/51/68/455795168.db2.gz KMNRRTMPWZCWEQ-GOSISDBHSA-N 0 3 347.480 3.090 20 10 EGCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)COc2ccc(F)cc2)c([O-])c1 ZINC000293787617 455797572 /nfs/dbraw/zinc/79/75/72/455797572.db2.gz QLBBSERQZHGUPB-GOEBONIOSA-N 0 3 333.403 3.239 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1 ZINC000294771476 455826379 /nfs/dbraw/zinc/82/63/79/455826379.db2.gz KGYBOFVXKSYBKC-KBPBESRZSA-N 0 3 334.460 3.075 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[N@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1 ZINC000294771476 455826384 /nfs/dbraw/zinc/82/63/84/455826384.db2.gz KGYBOFVXKSYBKC-KBPBESRZSA-N 0 3 334.460 3.075 20 10 EGCDHN CCOc1cccc(C[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)c1[O-] ZINC000278863411 455851578 /nfs/dbraw/zinc/85/15/78/455851578.db2.gz YBJASKOTSHSLML-HNNXBMFYSA-N 0 3 339.794 3.407 20 10 EGCDHN CC(=O)Nc1ccc(CN[C@@H](C)c2cc3c(cc2O)CCCC3)cn1 ZINC000279092980 455858211 /nfs/dbraw/zinc/85/82/11/455858211.db2.gz NOEQAEXQDYSKIZ-ZDUSSCGKSA-N 0 3 339.439 3.475 20 10 EGCDHN CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2cc3c(cc2[O-])CCCC3)cn1 ZINC000279092980 455858217 /nfs/dbraw/zinc/85/82/17/455858217.db2.gz NOEQAEXQDYSKIZ-ZDUSSCGKSA-N 0 3 339.439 3.475 20 10 EGCDHN Oc1cc2c(cc1CN1CCC(OCc3ccccc3)CC1)OCO2 ZINC000194587833 455862413 /nfs/dbraw/zinc/86/24/13/455862413.db2.gz YPRPPHASWFJZKW-UHFFFAOYSA-N 0 3 341.407 3.302 20 10 EGCDHN CC[C@H]([NH2+]CCNC(=O)c1c(F)cccc1F)c1ccc(C)cc1[O-] ZINC000279921256 455876555 /nfs/dbraw/zinc/87/65/55/455876555.db2.gz AFHQJLIMTAGINN-INIZCTEOSA-N 0 3 348.393 3.450 20 10 EGCDHN CC[C@H]([NH2+][C@@H]1CCCN(c2ccnn2C)C1)c1ccc(C)cc1[O-] ZINC000279923783 455878028 /nfs/dbraw/zinc/87/80/28/455878028.db2.gz AJISWWBKMKMVIP-WBVHZDCISA-N 0 3 328.460 3.144 20 10 EGCDHN CS[C@H](CO)[C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000187230967 455884710 /nfs/dbraw/zinc/88/47/10/455884710.db2.gz HIKVDNAIJINYGZ-OPQQBVKSSA-N 0 3 348.306 3.226 20 10 EGCDHN CC[C@@H]([NH2+]C[C@@H](O)c1cc(OC)ccc1OC)c1ccc(C)cc1[O-] ZINC000280101396 455892073 /nfs/dbraw/zinc/89/20/73/455892073.db2.gz NBZWEGWVZSYJTL-IEBWSBKVSA-N 0 3 345.439 3.492 20 10 EGCDHN CCS(=O)(=O)c1ccc(CN[C@@H](C)c2ccccc2O)s1 ZINC000280151480 455903249 /nfs/dbraw/zinc/90/32/49/455903249.db2.gz QFFGVSWEWSZRCL-NSHDSACASA-N 0 3 325.455 3.098 20 10 EGCDHN CC[C@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)c1ccc(C)cc1[O-] ZINC000280171067 455907871 /nfs/dbraw/zinc/90/78/71/455907871.db2.gz RDPOOWUCFZNQAN-YJBOKZPZSA-N 0 3 326.440 3.446 20 10 EGCDHN CC[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(C)cc1[O-] ZINC000280293714 455939063 /nfs/dbraw/zinc/93/90/63/455939063.db2.gz ZJOVCPGOTLUGJI-LPHOPBHVSA-N 0 3 332.488 3.242 20 10 EGCDHN O=C(Nc1ccccc1)N1CC[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000296624444 455992680 /nfs/dbraw/zinc/99/26/80/455992680.db2.gz ZLNOTOHPTPIFCE-IRXDYDNUSA-N 0 3 337.423 3.276 20 10 EGCDHN C[S@](=O)C1(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCC1 ZINC000280683822 456031292 /nfs/dbraw/zinc/03/12/92/456031292.db2.gz QYNHFECGMPCCJE-QHCPKHFHSA-N 0 3 329.465 3.450 20 10 EGCDHN C[C@@H](NCc1ccncc1OC[C@@H]1CCOC1)c1ccccc1O ZINC000287518117 456071101 /nfs/dbraw/zinc/07/11/01/456071101.db2.gz ZOBIVNZYCABVDL-HUUCEWRRSA-N 0 3 328.412 3.053 20 10 EGCDHN CCc1noc(C2CCC([NH2+]Cc3cccc(OC)c3[O-])CC2)n1 ZINC000289184828 456117917 /nfs/dbraw/zinc/11/79/17/456117917.db2.gz AVRPYICFEZVKKZ-UHFFFAOYSA-N 0 3 331.416 3.162 20 10 EGCDHN COc1cccc(C[NH2+]Cc2ccc(C)cc2-c2cnn(C)c2)c1[O-] ZINC000289548759 456129423 /nfs/dbraw/zinc/12/94/23/456129423.db2.gz XMCAOKOXHJJTNA-UHFFFAOYSA-N 0 3 337.423 3.400 20 10 EGCDHN COc1ccc([O-])c(C[N@H+](C)CCc2nc(-c3ccccc3)no2)c1 ZINC000289580782 456130750 /nfs/dbraw/zinc/13/07/50/456130750.db2.gz JZPPDVPNUGOKEH-UHFFFAOYSA-N 0 3 339.395 3.125 20 10 EGCDHN COc1ccc([O-])c(C[N@@H+](C)CCc2nc(-c3ccccc3)no2)c1 ZINC000289580782 456130773 /nfs/dbraw/zinc/13/07/73/456130773.db2.gz JZPPDVPNUGOKEH-UHFFFAOYSA-N 0 3 339.395 3.125 20 10 EGCDHN COc1ccc(O)c(CN(C)CCc2nc(-c3ccccc3)no2)c1 ZINC000289580782 456130774 /nfs/dbraw/zinc/13/07/74/456130774.db2.gz JZPPDVPNUGOKEH-UHFFFAOYSA-N 0 3 339.395 3.125 20 10 EGCDHN [O-]c1cccc2c1[C@@H]([NH2+]Cc1ccnc(OC3CCOCC3)c1)CC2 ZINC000297159904 456136132 /nfs/dbraw/zinc/13/61/32/456136132.db2.gz BHLRFNZZKHFYPZ-KRWDZBQOSA-N 0 3 340.423 3.122 20 10 EGCDHN Cc1ccc([C@H](C)N[C@H]2CCN(Cc3ccccc3)C2=O)c(O)c1C ZINC000273545469 456237146 /nfs/dbraw/zinc/23/71/46/456237146.db2.gz ZHCSZOKZVFHSDD-LPHOPBHVSA-N 0 3 338.451 3.461 20 10 EGCDHN C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1)c1ccc(F)cc1[O-] ZINC000273536969 456237378 /nfs/dbraw/zinc/23/73/78/456237378.db2.gz XOJXOZVMXSUQTC-CJNGLKHVSA-N 0 3 344.434 3.240 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]Cc2cccc(CS(C)(=O)=O)c2)c([O-])c1C ZINC000273576939 456238795 /nfs/dbraw/zinc/23/87/95/456238795.db2.gz MAZYAZKNBRXAOO-HNNXBMFYSA-N 0 3 347.480 3.404 20 10 EGCDHN COCCO[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000276082755 456384796 /nfs/dbraw/zinc/38/47/96/456384796.db2.gz XGUYEWZJBNLXAU-IBGZPJMESA-N 0 3 327.424 3.297 20 10 EGCDHN COCCO[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000276082755 456384802 /nfs/dbraw/zinc/38/48/02/456384802.db2.gz XGUYEWZJBNLXAU-IBGZPJMESA-N 0 3 327.424 3.297 20 10 EGCDHN CCCOc1ccc(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)c([O-])c1 ZINC000291327899 456607045 /nfs/dbraw/zinc/60/70/45/456607045.db2.gz UHXYECWIJYRIAD-OAQYLSRUSA-N 0 3 341.451 3.317 20 10 EGCDHN CCCOc1ccc(C[N@H+]2CC[C@@](CO)(c3ccccc3)C2)c([O-])c1 ZINC000291327899 456607049 /nfs/dbraw/zinc/60/70/49/456607049.db2.gz UHXYECWIJYRIAD-OAQYLSRUSA-N 0 3 341.451 3.317 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c1[O-] ZINC000374994931 457748097 /nfs/dbraw/zinc/74/80/97/457748097.db2.gz BNZLLGAWNGTRNF-STQMWFEESA-N 0 3 340.261 3.322 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)c1[O-] ZINC000374994931 457748100 /nfs/dbraw/zinc/74/81/00/457748100.db2.gz BNZLLGAWNGTRNF-STQMWFEESA-N 0 3 340.261 3.322 20 10 EGCDHN COc1cccc(CNCc2cn(C)nc2-c2cccs2)c1O ZINC000368590499 458047668 /nfs/dbraw/zinc/04/76/68/458047668.db2.gz DECKUIDIZZNEHD-UHFFFAOYSA-N 0 3 329.425 3.153 20 10 EGCDHN Cc1c2ccccc2n(C)c1CNC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000472219725 458774246 /nfs/dbraw/zinc/77/42/46/458774246.db2.gz HLAIIXOHAJKERA-GOEBONIOSA-N 0 3 342.487 3.111 20 10 EGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCN(C)C[C@H]3C(C)C)c2c1 ZINC000738286433 574562737 /nfs/dbraw/zinc/56/27/37/574562737.db2.gz WSIOGVRQYNUKBH-IBGZPJMESA-N 0 3 328.456 3.326 20 10 EGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCN(C)C[C@H]3C(C)C)c2c1 ZINC000738286433 574562738 /nfs/dbraw/zinc/56/27/38/574562738.db2.gz WSIOGVRQYNUKBH-IBGZPJMESA-N 0 3 328.456 3.326 20 10 EGCDHN C[C@@H](COc1ccccc1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000728781855 574770773 /nfs/dbraw/zinc/77/07/73/574770773.db2.gz DMPMVYZALDYSFA-INIZCTEOSA-N 0 3 344.430 3.219 20 10 EGCDHN CCN(CC)c1ccc(CN(C)C(=O)NC[C@@H](C)N(C)C2CC2)cc1 ZINC000729617213 574873945 /nfs/dbraw/zinc/87/39/45/574873945.db2.gz HRXMCACQHROJEZ-MRXNPFEDSA-N 0 3 346.519 3.157 20 10 EGCDHN Oc1cc2c(cc1CN1CCCO[C@@H](c3ccccc3)C1)OCO2 ZINC000729853162 574891175 /nfs/dbraw/zinc/89/11/75/574891175.db2.gz ZKUBMPLPTQUTNF-LJQANCHMSA-N 0 3 327.380 3.085 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCCO[C@@H](c3ccccc3)C1)OCO2 ZINC000729853162 574891177 /nfs/dbraw/zinc/89/11/77/574891177.db2.gz ZKUBMPLPTQUTNF-LJQANCHMSA-N 0 3 327.380 3.085 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CCCO[C@@H](c3ccccc3)C1)OCO2 ZINC000729853162 574891180 /nfs/dbraw/zinc/89/11/80/574891180.db2.gz ZKUBMPLPTQUTNF-LJQANCHMSA-N 0 3 327.380 3.085 20 10 EGCDHN CCN1CCCC[C@@H]1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000731016489 575044969 /nfs/dbraw/zinc/04/49/69/575044969.db2.gz UDLUUCXHRAOZIE-HXUWFJFHSA-N 0 3 343.515 3.414 20 10 EGCDHN Cc1cc(C(=O)NC[C@@H]2CCCN(C)C2)c(C)n1-c1ccccc1C ZINC000731026110 575045466 /nfs/dbraw/zinc/04/54/66/575045466.db2.gz YVVCABWKGUBFQA-SFHVURJKSA-N 0 3 339.483 3.474 20 10 EGCDHN CCCN(Cc1ccccc1O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000731281930 575063856 /nfs/dbraw/zinc/06/38/56/575063856.db2.gz FEMWGRNTHDGIMZ-MRXNPFEDSA-N 0 3 333.476 3.188 20 10 EGCDHN CCN1CCN(c2ccc(NC(=O)C3=CC(=O)CS3)c(C)c2)CC1 ZINC000731866690 575216284 /nfs/dbraw/zinc/21/62/84/575216284.db2.gz VQTKDHMXFWANPZ-UHFFFAOYSA-N 0 3 345.468 3.156 20 10 EGCDHN CC(C)[C@](C)(O)CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000732817960 575289654 /nfs/dbraw/zinc/28/96/54/575289654.db2.gz KQVMJKPYWPYORO-GOSISDBHSA-N 0 3 335.448 3.082 20 10 EGCDHN COc1ccccc1N1CCC([NH2+]Cc2cc(C)ccc2[O-])CC1 ZINC000733326355 575327911 /nfs/dbraw/zinc/32/79/11/575327911.db2.gz YJBAVZAASAYCKR-UHFFFAOYSA-N 0 3 326.440 3.468 20 10 EGCDHN CCOc1ccc(O)c(CN[C@@H]2CCOc3c(OC)cccc32)c1 ZINC000733332357 575329127 /nfs/dbraw/zinc/32/91/27/575329127.db2.gz UIXIABNYUVZCOX-MRXNPFEDSA-N 0 3 329.396 3.413 20 10 EGCDHN C[C@H](C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])CN1CCOCC1 ZINC000738438808 576326246 /nfs/dbraw/zinc/32/62/46/576326246.db2.gz FSYBJXXDVOLCBH-QGZVFWFLSA-N 0 3 340.467 3.117 20 10 EGCDHN CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc([O-])cs1 ZINC000743806600 576816177 /nfs/dbraw/zinc/81/61/77/576816177.db2.gz LZUSYJAWARSTMM-HNNXBMFYSA-N 0 3 330.453 3.048 20 10 EGCDHN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc([O-])cs1 ZINC000743806600 576816178 /nfs/dbraw/zinc/81/61/78/576816178.db2.gz LZUSYJAWARSTMM-HNNXBMFYSA-N 0 3 330.453 3.048 20 10 EGCDHN CCC[N@H+](Cc1cc(-c2nnn[n-]2)cs1)Cc1ccccc1O ZINC000825313860 608657240 /nfs/dbraw/zinc/65/72/40/608657240.db2.gz TULQORCNFITKRB-UHFFFAOYSA-N 0 3 329.429 3.046 20 10 EGCDHN CCC[N@@H+](Cc1cc(-c2nnn[n-]2)cs1)Cc1ccccc1O ZINC000825313860 608657242 /nfs/dbraw/zinc/65/72/42/608657242.db2.gz TULQORCNFITKRB-UHFFFAOYSA-N 0 3 329.429 3.046 20 10 EGCDHN COc1ccc(CN[C@H](C)c2ccc(OCCO)c(OC)c2)cc1C ZINC000067718461 1292170484 /nfs/dbraw/zinc/17/04/84/1292170484.db2.gz KGQIYGGXBYLRGD-OAHLLOKOSA-N 0 3 345.439 3.234 20 10 EGCDHN Cc1cc(CN2CCSC[C@H]2CCO)ccc1N1CCCCC1 ZINC000828047497 1292423087 /nfs/dbraw/zinc/42/30/87/1292423087.db2.gz OVCDCQBDTSRCDM-GOSISDBHSA-N 0 3 334.529 3.285 20 10 EGCDHN COc1ccc(N2CCN(Cc3cc(C)ccc3O)CC2)cc1F ZINC000091923529 1292848381 /nfs/dbraw/zinc/84/83/81/1292848381.db2.gz YSQIMOYCTRXEKS-UHFFFAOYSA-N 0 3 330.403 3.171 20 10 EGCDHN CC[N@@H+](Cc1cc(Br)cc(OC)c1[O-])C[C@@H]1CCCO1 ZINC000092406955 1292866269 /nfs/dbraw/zinc/86/62/69/1292866269.db2.gz TYHWWFJRVRQKNC-ZDUSSCGKSA-N 0 3 344.249 3.164 20 10 EGCDHN CC[N@H+](Cc1cc(Br)cc(OC)c1[O-])C[C@@H]1CCCO1 ZINC000092406955 1292866281 /nfs/dbraw/zinc/86/62/81/1292866281.db2.gz TYHWWFJRVRQKNC-ZDUSSCGKSA-N 0 3 344.249 3.164 20 10 EGCDHN CC[C@H]([NH2+][C@@H]1CCO[C@H](c2nccn2C)C1)c1ccc(C)cc1[O-] ZINC000834910213 1293174077 /nfs/dbraw/zinc/17/40/77/1293174077.db2.gz CLUSBGPKUZKNDH-HFTRVMKXSA-N 0 3 329.444 3.395 20 10 EGCDHN C[C@@H](NC[C@H]1CC[C@@H](C)O1)c1ccc(N2CCOCC2)cc1Cl ZINC000834915983 1293175924 /nfs/dbraw/zinc/17/59/24/1293175924.db2.gz WDGZRLQTEPCVMO-IIAWOOMASA-N 0 3 338.879 3.395 20 10 EGCDHN COCc1ccc(CNC2CCN(c3ccc(OC)cc3)CC2)o1 ZINC000126685643 1293541390 /nfs/dbraw/zinc/54/13/90/1293541390.db2.gz MYKAWPOSLUIFIE-UHFFFAOYSA-N 0 3 330.428 3.193 20 10 EGCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N(c2ccccc2)C(C)C)c1 ZINC000182337868 1295036668 /nfs/dbraw/zinc/03/66/68/1295036668.db2.gz IFLAEMIAUJKTMV-OAHLLOKOSA-N 0 3 342.439 3.493 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCC(=O)N2c3ccccc3C[C@H]2C)c1 ZINC000182406157 1295043760 /nfs/dbraw/zinc/04/37/60/1295043760.db2.gz SHPNRYXQUOGQDZ-KGLIPLIRSA-N 0 3 340.423 3.029 20 10 EGCDHN C[C@H]([NH2+]CCN1CCN(c2ccc(F)cc2)CC1)c1ccccc1[O-] ZINC000183402967 1295117878 /nfs/dbraw/zinc/11/78/78/1295117878.db2.gz UBSZHQOJWWNAEK-INIZCTEOSA-N 0 3 343.446 3.004 20 10 EGCDHN COc1cc(OC)cc(OCC[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000186114642 1295305393 /nfs/dbraw/zinc/30/53/93/1295305393.db2.gz CGKVRVUEKOBNIW-LBPRGKRZSA-N 0 3 335.375 3.278 20 10 EGCDHN COc1ccc(N2CCN(Cc3cc(C)cc(OC)c3O)CC2)cc1 ZINC000192452470 1295763897 /nfs/dbraw/zinc/76/38/97/1295763897.db2.gz YRUMSRPKBVAINQ-UHFFFAOYSA-N 0 3 342.439 3.040 20 10 EGCDHN COc1ccc(CN[C@H](C)CC(F)(F)F)cc1Cn1cccn1 ZINC000873105799 1297275314 /nfs/dbraw/zinc/27/53/14/1297275314.db2.gz BTPPCTSGLUOSKH-GFCCVEGCSA-N 0 3 327.350 3.371 20 10 EGCDHN COc1ccc(CN[C@@H](C)CC(F)(F)F)cc1Cn1cccn1 ZINC000873105800 1297275383 /nfs/dbraw/zinc/27/53/83/1297275383.db2.gz BTPPCTSGLUOSKH-LBPRGKRZSA-N 0 3 327.350 3.371 20 10 EGCDHN CC(C)(C)OC(=O)NC[C@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000382433107 1297559023 /nfs/dbraw/zinc/55/90/23/1297559023.db2.gz SLAKERBTMZYISY-WFASDCNBSA-N 0 3 338.423 3.314 20 10 EGCDHN Cc1ccc(Br)cc1NC(=O)C[NH2+]Cc1ccccc1[O-] ZINC000725851640 1298375592 /nfs/dbraw/zinc/37/55/92/1298375592.db2.gz VHJPANCLVHMEQY-UHFFFAOYSA-N 0 3 349.228 3.191 20 10 EGCDHN CC[C@H](C)N[C@H](CNC(=O)NCc1cc(C)ccc1O)c1ccco1 ZINC000875573113 1298394609 /nfs/dbraw/zinc/39/46/09/1298394609.db2.gz ANMCFTXYWSHQBP-GOEBONIOSA-N 0 3 345.443 3.222 20 10 EGCDHN Cc1ccc(CN2CCCN(C(=O)c3ccsc3)CC2)c(O)c1 ZINC000876623714 1298876813 /nfs/dbraw/zinc/87/68/13/1298876813.db2.gz RIMFBXLKTUSRRV-UHFFFAOYSA-N 0 3 330.453 3.110 20 10 EGCDHN Cc1ccc(CNc2ccc(CN3CCN(C)CC3)cc2)c(O)c1 ZINC000876819095 1299012987 /nfs/dbraw/zinc/01/29/87/1299012987.db2.gz IKSYATQNYWFLCW-UHFFFAOYSA-N 0 3 325.456 3.060 20 10 EGCDHN CN(C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)c1ccc(N)cc1 ZINC000877077412 1299147727 /nfs/dbraw/zinc/14/77/27/1299147727.db2.gz HCPKZDIVUXAEDU-INIZCTEOSA-N 0 3 341.430 3.283 20 10 EGCDHN Cc1ccc(CNCc2ccncc2OCC(F)(F)F)c(O)c1 ZINC000877501679 1299353410 /nfs/dbraw/zinc/35/34/10/1299353410.db2.gz RSFQBGGTEBTUKO-UHFFFAOYSA-N 0 3 326.318 3.327 20 10 EGCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000877537603 1299378739 /nfs/dbraw/zinc/37/87/39/1299378739.db2.gz NDMFLCGKOILGGP-FQEVSTJZSA-N 0 3 329.415 3.267 20 10 EGCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000877537603 1299378749 /nfs/dbraw/zinc/37/87/49/1299378749.db2.gz NDMFLCGKOILGGP-FQEVSTJZSA-N 0 3 329.415 3.267 20 10 EGCDHN C[C@@H]([NH2+][C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1)c1ccccc1[O-] ZINC000877756462 1299533079 /nfs/dbraw/zinc/53/30/79/1299533079.db2.gz JSELGCAXXXBILT-WWMYMODYSA-N 0 3 340.467 3.332 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccccc2)c2c1c(F)ccc2[O-] ZINC000756398661 1300484582 /nfs/dbraw/zinc/48/45/82/1300484582.db2.gz XNKFEBCRRSPJQF-XJKCOSOUSA-N 0 3 331.387 3.109 20 10 EGCDHN C[C@@H]([NH2+]CCN1CCN(c2ccccc2)CC1)c1cc(F)ccc1[O-] ZINC000756398316 1300484609 /nfs/dbraw/zinc/48/46/09/1300484609.db2.gz UXWXWEJUSWCIHC-MRXNPFEDSA-N 0 3 343.446 3.004 20 10 EGCDHN C[C@H]1C[C@@H]([NH2+]CC2(N3CCCC3)CCOCC2)c2c1c(F)ccc2[O-] ZINC000756545071 1300518899 /nfs/dbraw/zinc/51/88/99/1300518899.db2.gz XWHQYZQNQYXITQ-GOEBONIOSA-N 0 3 348.462 3.314 20 10 EGCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](CCN(C)C)C(C)(C)C)c1 ZINC000756587768 1300526682 /nfs/dbraw/zinc/52/66/82/1300526682.db2.gz CJNNCVKMAQFMHO-GUYCJALGSA-N 0 3 336.476 3.196 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+]C2CN(C(=O)OC(C)(C)C)C2)c2c1c(F)ccc2[O-] ZINC000756648869 1300540010 /nfs/dbraw/zinc/54/00/10/1300540010.db2.gz LQWBPFURFKJPHN-MFKMUULPSA-N 0 3 336.407 3.289 20 10 EGCDHN C[C@H]1C[C@@H]([NH2+]CCc2cccc(C(N)=O)c2)c2c1c(F)ccc2[O-] ZINC000756682482 1300547616 /nfs/dbraw/zinc/54/76/16/1300547616.db2.gz DMTNKCOMGHVEPL-XHDPSFHLSA-N 0 3 328.387 3.011 20 10 EGCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)N[C@@H]1CCOc2ccccc21 ZINC000879649144 1300648795 /nfs/dbraw/zinc/64/87/95/1300648795.db2.gz MTZXFFYKMFRJNJ-CKEIUWERSA-N 0 3 340.423 3.071 20 10 EGCDHN COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648787 1300649524 /nfs/dbraw/zinc/64/95/24/1300649524.db2.gz DULFPNIYSOTDOZ-QLFBSQMISA-N 0 3 342.439 3.317 20 10 EGCDHN CC(C)OCCN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000757687477 1300710792 /nfs/dbraw/zinc/71/07/92/1300710792.db2.gz PXNDZPYRSBUMLM-AWEZNQCLSA-N 0 3 326.868 3.252 20 10 EGCDHN O=[N+]([O-])c1cc(CNC2CC(F)(F)C2)ccc1N1CCCCC1 ZINC000758596872 1300918911 /nfs/dbraw/zinc/91/89/11/1300918911.db2.gz IJTYJUWHJJMHQM-UHFFFAOYSA-N 0 3 325.359 3.472 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](c3nnc(C)o3)C2)c1[O-] ZINC000761194312 1301418641 /nfs/dbraw/zinc/41/86/41/1301418641.db2.gz YHIVEONXQJEQAW-LLVKDONJSA-N 0 3 337.807 3.125 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3nnc(C)o3)C2)c1[O-] ZINC000761194312 1301418647 /nfs/dbraw/zinc/41/86/47/1301418647.db2.gz YHIVEONXQJEQAW-LLVKDONJSA-N 0 3 337.807 3.125 20 10 EGCDHN COc1cc(Cl)cc(CN2CCC[C@@H](c3nnc(C)o3)C2)c1O ZINC000761194312 1301418651 /nfs/dbraw/zinc/41/86/51/1301418651.db2.gz YHIVEONXQJEQAW-LLVKDONJSA-N 0 3 337.807 3.125 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@H](CO)CC(F)F ZINC000763522166 1301919277 /nfs/dbraw/zinc/91/92/77/1301919277.db2.gz RKIANTZRFMDTKR-HNNXBMFYSA-N 0 3 337.366 3.077 20 10 EGCDHN CCN(C)c1ccc([C@@H](C)NCC(=O)NCc2ccccc2)cc1 ZINC000765384326 1302258513 /nfs/dbraw/zinc/25/85/13/1302258513.db2.gz WUCDHVOBULOHSX-MRXNPFEDSA-N 0 3 325.456 3.110 20 10 EGCDHN O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ccccc3[O-])CC2)cc1 ZINC000765625858 1302291726 /nfs/dbraw/zinc/29/17/26/1302291726.db2.gz IRVGKQBXGGDBBS-UHFFFAOYSA-N 0 3 327.384 3.059 20 10 EGCDHN CSc1ccc(CNCc2ccc(N3CCN(C)CC3)cc2)o1 ZINC000883283657 1302362261 /nfs/dbraw/zinc/36/22/61/1302362261.db2.gz NKMRXQUOXNEKNJ-UHFFFAOYSA-N 0 3 331.485 3.043 20 10 EGCDHN CN1CCN(c2ccc(CN[C@@H]3CCCc4scnc43)cc2)CC1 ZINC000883290763 1302368975 /nfs/dbraw/zinc/36/89/75/1302368975.db2.gz GCXRUWGXKOOBSE-QGZVFWFLSA-N 0 3 342.512 3.062 20 10 EGCDHN CN(C)c1ccc(CN2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)cc1 ZINC000768249670 1302864344 /nfs/dbraw/zinc/86/43/44/1302864344.db2.gz ZFKXICKDBBBXBG-QGZVFWFLSA-N 0 3 333.476 3.194 20 10 EGCDHN CC[N@H+](Cc1ccc(Cl)cc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768439981 1302900678 /nfs/dbraw/zinc/90/06/78/1302900678.db2.gz MNOKVRKXBIBUKJ-QGZVFWFLSA-N 0 3 333.815 3.494 20 10 EGCDHN CC[N@@H+](Cc1ccc(Cl)cc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768439981 1302900689 /nfs/dbraw/zinc/90/06/89/1302900689.db2.gz MNOKVRKXBIBUKJ-QGZVFWFLSA-N 0 3 333.815 3.494 20 10 EGCDHN CC[N@H+](Cc1cccc(Cl)c1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768440835 1302903756 /nfs/dbraw/zinc/90/37/56/1302903756.db2.gz ZJJSEANBINRVPD-QGZVFWFLSA-N 0 3 333.815 3.494 20 10 EGCDHN CC[N@@H+](Cc1cccc(Cl)c1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768440835 1302903765 /nfs/dbraw/zinc/90/37/65/1302903765.db2.gz ZJJSEANBINRVPD-QGZVFWFLSA-N 0 3 333.815 3.494 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1)[C@H](O)CO2 ZINC000768441027 1302905175 /nfs/dbraw/zinc/90/51/75/1302905175.db2.gz CPVQSTCRSXTSAQ-QFBILLFUSA-N 0 3 343.398 3.164 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]1Cc1ccc(F)cc1)[C@H](O)CO2 ZINC000768441027 1302905181 /nfs/dbraw/zinc/90/51/81/1302905181.db2.gz CPVQSTCRSXTSAQ-QFBILLFUSA-N 0 3 343.398 3.164 20 10 EGCDHN C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768467071 1302913095 /nfs/dbraw/zinc/91/30/95/1302913095.db2.gz XADVVQZTTBZAMB-AKCHCHLHSA-N 0 3 339.435 3.271 20 10 EGCDHN C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768467071 1302913106 /nfs/dbraw/zinc/91/31/06/1302913106.db2.gz XADVVQZTTBZAMB-AKCHCHLHSA-N 0 3 339.435 3.271 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](c3c(F)cccc3F)C1)[C@H](O)CO2 ZINC000768909105 1303011271 /nfs/dbraw/zinc/01/12/71/1303011271.db2.gz GXIRWFOZFLOKKH-APPDUMDISA-N 0 3 347.361 3.086 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](c3c(F)cccc3F)C1)[C@H](O)CO2 ZINC000768909105 1303011279 /nfs/dbraw/zinc/01/12/79/1303011279.db2.gz GXIRWFOZFLOKKH-APPDUMDISA-N 0 3 347.361 3.086 20 10 EGCDHN CCN(Cc1ccc(C(=O)N(C)C)cc1)Cc1c(O)cccc1OC ZINC000769333156 1303093603 /nfs/dbraw/zinc/09/36/03/1303093603.db2.gz RSEIOAGVRYJKCF-UHFFFAOYSA-N 0 3 342.439 3.125 20 10 EGCDHN C[C@@H](O)C[C@H]1CCCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000769450949 1303114236 /nfs/dbraw/zinc/11/42/36/1303114236.db2.gz JXYVUVOPDVKQIO-NVXWUHKLSA-N 0 3 347.459 3.320 20 10 EGCDHN CN(C)c1ccc(CNC(C)(C)C(=O)NCC2CCCCC2)cc1F ZINC000769934724 1303195449 /nfs/dbraw/zinc/19/54/49/1303195449.db2.gz VLSYZQVSLHRFOU-UHFFFAOYSA-N 0 3 349.494 3.456 20 10 EGCDHN CCOc1ccc(CN2CCN(C(C)=O)C3(CCCCC3)C2)c(O)c1 ZINC000770290523 1303244300 /nfs/dbraw/zinc/24/43/00/1303244300.db2.gz CTVWYWDYPJIZLC-UHFFFAOYSA-N 0 3 346.471 3.158 20 10 EGCDHN CCc1cnccc1[C@@H](C)NCc1ccc(N2CCOCC2)cc1 ZINC000773427472 1303678946 /nfs/dbraw/zinc/67/89/46/1303678946.db2.gz MPJPBVXHQJMMIA-MRXNPFEDSA-N 0 3 325.456 3.331 20 10 EGCDHN Cc1ccccc1CNC(=O)[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774478503 1303815369 /nfs/dbraw/zinc/81/53/69/1303815369.db2.gz FDTZZJSMPAAQLA-SJORKVTESA-N 0 3 339.483 3.417 20 10 EGCDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)NCc1cccs1 ZINC000774483215 1303816467 /nfs/dbraw/zinc/81/64/67/1303816467.db2.gz NGFAXWVVJYUAGO-KBPBESRZSA-N 0 3 331.485 3.170 20 10 EGCDHN CC[C@H]([NH2+]CC(C)(C)N1CCN(C)CC1)c1cc(Cl)ccc1[O-] ZINC000775493250 1303973015 /nfs/dbraw/zinc/97/30/15/1303973015.db2.gz WHNMUFDQEAWFPT-INIZCTEOSA-N 0 3 339.911 3.112 20 10 EGCDHN Cc1ccc(NC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)cc1F ZINC000775830177 1304045380 /nfs/dbraw/zinc/04/53/80/1304045380.db2.gz FFTQMUYRFWEOQS-CQSZACIVSA-N 0 3 329.419 3.489 20 10 EGCDHN C[C@H](NCC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)c1ccc(N(C)C)cc1 ZINC000775838378 1304047835 /nfs/dbraw/zinc/04/78/35/1304047835.db2.gz XYGQVIHZMFPLLQ-CYJAXWMASA-N 0 3 331.504 3.344 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC(C)(C)N(C)C)c1[O-] ZINC000779004272 1304517159 /nfs/dbraw/zinc/51/71/59/1304517159.db2.gz CNFXHERBSSUTPQ-NSHDSACASA-N 0 3 329.282 3.454 20 10 EGCDHN C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000779034231 1304520381 /nfs/dbraw/zinc/52/03/81/1304520381.db2.gz QRJITVVBXFTRCL-CHWSQXEVSA-N 0 3 338.423 3.266 20 10 EGCDHN C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1cc(F)ccc1[O-] ZINC000779034231 1304520385 /nfs/dbraw/zinc/52/03/85/1304520385.db2.gz QRJITVVBXFTRCL-CHWSQXEVSA-N 0 3 338.423 3.266 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H](CO)CC2CC2)c1[O-] ZINC000779038177 1304521579 /nfs/dbraw/zinc/52/15/79/1304521579.db2.gz JXMLAPVFVSKENT-GWCFXTLKSA-N 0 3 328.250 3.275 20 10 EGCDHN O=C(c1ccc(C[NH2+]Cc2cc(F)ccc2[O-])cc1)N1CCCC1 ZINC000779046525 1304521877 /nfs/dbraw/zinc/52/18/77/1304521877.db2.gz ULAYCOUMHGWTAB-UHFFFAOYSA-N 0 3 328.387 3.057 20 10 EGCDHN CCOc1ccc(C[NH2+]CC2CCN(CC(F)(F)F)CC2)c([O-])c1 ZINC000780548946 1304708275 /nfs/dbraw/zinc/70/82/75/1304708275.db2.gz CRCTYSSHTDJZSM-UHFFFAOYSA-N 0 3 346.393 3.155 20 10 EGCDHN Cc1csc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000891247861 1304999546 /nfs/dbraw/zinc/99/95/46/1304999546.db2.gz KXKQUYHDYDONBL-MRXNPFEDSA-N 0 3 331.485 3.155 20 10 EGCDHN C[C@H](CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccco1 ZINC000891248236 1304999703 /nfs/dbraw/zinc/99/97/03/1304999703.db2.gz XAEAXXSGYZKSMF-QAPCUYQASA-N 0 3 343.471 3.258 20 10 EGCDHN Cc1ccc([C@H](C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC000891250491 1305000208 /nfs/dbraw/zinc/00/02/08/1305000208.db2.gz AHEACNULCDCKLE-YJBOKZPZSA-N 0 3 343.471 3.177 20 10 EGCDHN COc1cc([C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])ccc1OCCO ZINC000783504431 1305100412 /nfs/dbraw/zinc/10/04/12/1305100412.db2.gz MSRJIWFQHPFJBH-KGLIPLIRSA-N 0 3 331.412 3.184 20 10 EGCDHN COC(=O)[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])[C@@H]1C ZINC000787421152 1305742731 /nfs/dbraw/zinc/74/27/31/1305742731.db2.gz NVFNFLUAJJMVKD-RDTXWAMCSA-N 0 3 325.408 3.443 20 10 EGCDHN COC(=O)[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])[C@@H]1C ZINC000787421152 1305742746 /nfs/dbraw/zinc/74/27/46/1305742746.db2.gz NVFNFLUAJJMVKD-RDTXWAMCSA-N 0 3 325.408 3.443 20 10 EGCDHN COc1ccc2c(c1)[C@@H](NCc1ccc(OC)c(OC)c1O)CCO2 ZINC000893639449 1306000059 /nfs/dbraw/zinc/00/00/59/1306000059.db2.gz DAYKHACNQIBVNS-HNNXBMFYSA-N 0 3 345.395 3.031 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2N(C)CCCC2(C)C)c1[O-] ZINC000790928081 1308889413 /nfs/dbraw/zinc/88/94/13/1308889413.db2.gz QOKDGJDFAKPPJB-HNNXBMFYSA-N 0 3 326.868 3.264 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+][C@@H](CO)CC2CCC2)c1[O-] ZINC000793321875 1309345401 /nfs/dbraw/zinc/34/54/01/1309345401.db2.gz LJGOJWPSYSMSMI-CQSZACIVSA-N 0 3 328.250 3.104 20 10 EGCDHN COc1ccc(C[NH2+][C@@H]2C[C@H](C)CN(Cc3ccccc3)C2)c([O-])c1 ZINC000793389134 1309361499 /nfs/dbraw/zinc/36/14/99/1309361499.db2.gz WZQXVJUPXYSJCD-QFBILLFUSA-N 0 3 340.467 3.401 20 10 EGCDHN CCOc1ccc(C[N@H+](CCCO)Cc2ccc(OC)cc2)c([O-])c1 ZINC000898172791 1310612213 /nfs/dbraw/zinc/61/22/13/1310612213.db2.gz ZSZOMDUZKDRCCG-UHFFFAOYSA-N 0 3 345.439 3.184 20 10 EGCDHN CCOc1ccc(C[N@@H+](CCCO)Cc2ccc(OC)cc2)c([O-])c1 ZINC000898172791 1310612224 /nfs/dbraw/zinc/61/22/24/1310612224.db2.gz ZSZOMDUZKDRCCG-UHFFFAOYSA-N 0 3 345.439 3.184 20 10 EGCDHN COc1cccc([O-])c1C[N@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000825332451 1320328915 /nfs/dbraw/zinc/32/89/15/1320328915.db2.gz XIFXMMRBHNOIRP-UHFFFAOYSA-N 0 3 346.393 3.249 20 10 EGCDHN COc1cccc([O-])c1C[N@@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000825332451 1320328919 /nfs/dbraw/zinc/32/89/19/1320328919.db2.gz XIFXMMRBHNOIRP-UHFFFAOYSA-N 0 3 346.393 3.249 20 10 EGCDHN C[C@@H](N[C@H]1CCN(c2ccc(F)cc2)C1=O)c1ccc(N(C)C)cc1 ZINC000839564454 1320938907 /nfs/dbraw/zinc/93/89/07/1320938907.db2.gz UQYUIUNPHIQLFG-KUHUBIRLSA-N 0 3 341.430 3.348 20 10 EGCDHN Cc1ccc(C(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)c(O)c1O ZINC000802383221 1317003869 /nfs/dbraw/zinc/00/38/69/1317003869.db2.gz LTTQLOYOWFGQOT-OAHLLOKOSA-N 0 3 348.830 3.092 20 10 EGCDHN CCCN(Cc1cc(=O)n2cc(C)sc2n1)Cc1ccccc1O ZINC000929753755 1328689263 /nfs/dbraw/zinc/68/92/63/1328689263.db2.gz VNRCVGDGTDHBEB-UHFFFAOYSA-N 0 3 343.452 3.182 20 10 EGCDHN CCC[N@H+](Cc1cc(=O)n2cc(C)sc2n1)Cc1ccccc1[O-] ZINC000929753755 1328689266 /nfs/dbraw/zinc/68/92/66/1328689266.db2.gz VNRCVGDGTDHBEB-UHFFFAOYSA-N 0 3 343.452 3.182 20 10 EGCDHN CCC[N@@H+](Cc1cc(=O)n2cc(C)sc2n1)Cc1ccccc1[O-] ZINC000929753755 1328689272 /nfs/dbraw/zinc/68/92/72/1328689272.db2.gz VNRCVGDGTDHBEB-UHFFFAOYSA-N 0 3 343.452 3.182 20 10 EGCDHN CNc1ccc(C)cc1CNCc1ccc(N2CCOCC2)cc1 ZINC000902093300 1317520656 /nfs/dbraw/zinc/52/06/56/1317520656.db2.gz RYEUIZLQWJWWFI-UHFFFAOYSA-N 0 3 325.456 3.163 20 10 EGCDHN C[C@H](c1ccccc1)[C@@H](O)CNCc1cc(F)c(N(C)C)cc1F ZINC000858194989 1328708820 /nfs/dbraw/zinc/70/88/20/1328708820.db2.gz NYWXKZDKDTZZIA-YJYMSZOUSA-N 0 3 334.410 3.285 20 10 EGCDHN CCOc1ccc(C[NH2+]C[C@H](CO)c2ccc(Cl)cc2)c([O-])c1 ZINC000808431007 1317676314 /nfs/dbraw/zinc/67/63/14/1317676314.db2.gz NKNJSUQXCKATEW-OAHLLOKOSA-N 0 3 335.831 3.310 20 10 EGCDHN C[C@@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccccc1[O-] ZINC000903448313 1317702157 /nfs/dbraw/zinc/70/21/57/1317702157.db2.gz MYDDFCGPHTXZHO-DNVCBOLYSA-N 0 3 327.472 3.412 20 10 EGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CCOCC2)c1[O-] ZINC000808673461 1317712386 /nfs/dbraw/zinc/71/23/86/1317712386.db2.gz PPNWTHIXAPGPDX-PBHICJAKSA-N 0 3 340.895 3.361 20 10 EGCDHN CSCC[C@H]([NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-])C(=O)N(C)C ZINC000808717533 1317722073 /nfs/dbraw/zinc/72/20/73/1317722073.db2.gz FZKKBYVBMCOFOI-RISCZKNCSA-N 0 3 344.908 3.215 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+][C@H](C2CC2)C(C)(C)CO)c1[O-] ZINC000811518241 1318194366 /nfs/dbraw/zinc/19/43/66/1318194366.db2.gz HQGBAENCJDHHMT-OAHLLOKOSA-N 0 3 342.277 3.350 20 10 EGCDHN COc1cc(Br)cc(C[NH2+]C[C@@](C)(OC)C2CC2)c1[O-] ZINC000812772276 1318451317 /nfs/dbraw/zinc/45/13/17/1318451317.db2.gz CUVMTUQGSRGFDK-OAHLLOKOSA-N 0 3 344.249 3.068 20 10 EGCDHN Cc1cc(CN2CCC[C@H](N3CCCCC3=O)C2)ccc1N(C)C ZINC000815046867 1318874291 /nfs/dbraw/zinc/87/42/91/1318874291.db2.gz BGQSHSDBXNCFIX-SFHVURJKSA-N 0 3 329.488 3.038 20 10 EGCDHN C[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000817412098 1319351845 /nfs/dbraw/zinc/35/18/45/1319351845.db2.gz CXPNOENUOYBJLX-SJLPKXTDSA-N 0 3 341.451 3.422 20 10 EGCDHN C[C@@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000817412098 1319351853 /nfs/dbraw/zinc/35/18/53/1319351853.db2.gz CXPNOENUOYBJLX-SJLPKXTDSA-N 0 3 341.451 3.422 20 10 EGCDHN C[C@H]1C[C@H](CO)C[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000817412099 1319352148 /nfs/dbraw/zinc/35/21/48/1319352148.db2.gz CXPNOENUOYBJLX-WMZOPIPTSA-N 0 3 341.451 3.422 20 10 EGCDHN C[C@H]1C[C@H](CO)C[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000817412099 1319352156 /nfs/dbraw/zinc/35/21/56/1319352156.db2.gz CXPNOENUOYBJLX-WMZOPIPTSA-N 0 3 341.451 3.422 20 10 EGCDHN COc1ccc(N2CC[C@@H](CN[C@@H](C)c3cc4n(n3)CCC4)C2)cc1 ZINC000818341882 1319530429 /nfs/dbraw/zinc/53/04/29/1319530429.db2.gz IDAPGKXHRUNWQZ-HOTGVXAUSA-N 0 3 340.471 3.015 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]CCNC(=O)CCCc2ccccc2)c([O-])c1 ZINC000818351990 1319534260 /nfs/dbraw/zinc/53/42/60/1319534260.db2.gz FMPSZVXNTLKXDR-KRWDZBQOSA-N 0 3 340.467 3.490 20 10 EGCDHN CN(C)c1ccc([C@H](CNC(=O)Nc2ccsc2)N(C)C)cc1 ZINC000930342937 1328837130 /nfs/dbraw/zinc/83/71/30/1328837130.db2.gz SHCGWFMAZDKYGN-INIZCTEOSA-N 0 3 332.473 3.239 20 10 EGCDHN COc1ccc(N2CCCN(C[C@@H](O)c3cccc(F)c3)CC2)cc1 ZINC000917017387 1319740757 /nfs/dbraw/zinc/74/07/57/1319740757.db2.gz QPDLRQBLORLCPJ-HXUWFJFHSA-N 0 3 344.430 3.080 20 10 EGCDHN [O-]c1cc(Br)ccc1C[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000824639847 1320273427 /nfs/dbraw/zinc/27/34/27/1320273427.db2.gz QUOVDUVLLALABL-UHFFFAOYSA-N 0 3 336.233 3.257 20 10 EGCDHN Cc1cc([O-])c(CN2CC[N@H+](C3CCOCC3)C[C@@H]2C)cc1Cl ZINC000825720148 1320357264 /nfs/dbraw/zinc/35/72/64/1320357264.db2.gz AUZWOQQIIRTNBK-AWEZNQCLSA-N 0 3 338.879 3.039 20 10 EGCDHN Cc1cc([O-])c(CN2CC[N@@H+](C3CCOCC3)C[C@@H]2C)cc1Cl ZINC000825720148 1320357266 /nfs/dbraw/zinc/35/72/66/1320357266.db2.gz AUZWOQQIIRTNBK-AWEZNQCLSA-N 0 3 338.879 3.039 20 10 EGCDHN COc1cc(O)c(CN2CC(Cc3ccc(F)cc3)C2)cc1OC ZINC000839134647 1320877817 /nfs/dbraw/zinc/87/78/17/1320877817.db2.gz PFODXNSESTZEHH-UHFFFAOYSA-N 0 3 331.387 3.223 20 10 EGCDHN CC(C)(O)C1C[NH+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000839139373 1320878094 /nfs/dbraw/zinc/87/80/94/1320878094.db2.gz FABLCSZUAURYTN-UHFFFAOYSA-N 0 3 327.424 3.174 20 10 EGCDHN Cc1cccc(CNCc2cc(F)c(N3CCOCC3)c(F)c2)c1 ZINC000839146664 1320880257 /nfs/dbraw/zinc/88/02/57/1320880257.db2.gz QCOLEWJVRVNADJ-UHFFFAOYSA-N 0 3 332.394 3.400 20 10 EGCDHN C[C@H]([NH2+][C@@H](COC(N)=O)Cc1ccccc1)c1cc(F)ccc1[O-] ZINC000840865009 1321165205 /nfs/dbraw/zinc/16/52/05/1321165205.db2.gz SLSBQRUXLKQPQP-SWLSCSKDSA-N 0 3 332.375 3.303 20 10 EGCDHN CC1(C)C[C@H](NCc2cc3c(cc2O)OCO3)c2cc(N)ccc2O1 ZINC000841083218 1321216043 /nfs/dbraw/zinc/21/60/43/1321216043.db2.gz PYKHBZZCIFZFQL-AWEZNQCLSA-N 0 3 342.395 3.095 20 10 EGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000841893669 1321327581 /nfs/dbraw/zinc/32/75/81/1321327581.db2.gz HUHWGADSHNUARY-KRWDZBQOSA-N 0 3 332.394 3.488 20 10 EGCDHN CC[C@@H](NCc1ccc(N(C)C)cc1C)C(=O)NCc1cccs1 ZINC000843426476 1321516940 /nfs/dbraw/zinc/51/69/40/1321516940.db2.gz ZKUJHGUNGJDRQK-GOSISDBHSA-N 0 3 345.512 3.307 20 10 EGCDHN COc1cccc([C@H](C)NCc2cc(OC)c(OC)cc2OC)c1O ZINC000846137336 1321770124 /nfs/dbraw/zinc/77/01/24/1321770124.db2.gz NVKIKVYZTNROJK-LBPRGKRZSA-N 0 3 347.411 3.277 20 10 EGCDHN CCOC(=O)CC[N@H+](Cc1cc(Cl)cc(OC)c1[O-])C(C)C ZINC000848927738 1322047562 /nfs/dbraw/zinc/04/75/62/1322047562.db2.gz MIKMOSPHQIRFOQ-UHFFFAOYSA-N 0 3 329.824 3.218 20 10 EGCDHN CCOC(=O)CC[N@@H+](Cc1cc(Cl)cc(OC)c1[O-])C(C)C ZINC000848927738 1322047567 /nfs/dbraw/zinc/04/75/67/1322047567.db2.gz MIKMOSPHQIRFOQ-UHFFFAOYSA-N 0 3 329.824 3.218 20 10 EGCDHN COC[C@@H](C)Oc1ccc(CNCc2ccc3c(c2)CCO3)cc1 ZINC000850112145 1322193231 /nfs/dbraw/zinc/19/32/31/1322193231.db2.gz TWYOJUFJAVQSSK-OAHLLOKOSA-N 0 3 327.424 3.325 20 10 EGCDHN COc1cccc(O)c1CNC[C@H](OC1CCCC1)C(F)(F)F ZINC000850355288 1322232394 /nfs/dbraw/zinc/23/23/94/1322232394.db2.gz FAALHCNPTSZJFU-HNNXBMFYSA-N 0 3 333.350 3.381 20 10 EGCDHN CCOc1ccc(C[NH2+]C[C@H]2CCN2Cc2ccccc2)c([O-])c1 ZINC000850416361 1322243004 /nfs/dbraw/zinc/24/30/04/1322243004.db2.gz IREWDSLQGZGJLA-GOSISDBHSA-N 0 3 326.440 3.155 20 10 EGCDHN C[C@H](NCC1(S(C)(=O)=O)CCCCC1)c1ccc(N(C)C)cc1 ZINC000850532788 1322261636 /nfs/dbraw/zinc/26/16/36/1322261636.db2.gz XFJLBOBYQRNVCS-HNNXBMFYSA-N 0 3 338.517 3.151 20 10 EGCDHN O=C1NCCCN1c1ccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000850575419 1322270931 /nfs/dbraw/zinc/27/09/31/1322270931.db2.gz VTGURVFOLZOOTF-QGZVFWFLSA-N 0 3 337.423 3.089 20 10 EGCDHN COc1cc([C@@H](C)NC2CCN(c3ccc(OC)cc3)CC2)on1 ZINC000924908666 1323208144 /nfs/dbraw/zinc/20/81/44/1323208144.db2.gz XERCEVWKDHTWEH-CYBMUJFWSA-N 0 3 331.416 3.011 20 10 EGCDHN C[C@@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000853241024 1325070400 /nfs/dbraw/zinc/07/04/00/1325070400.db2.gz RUAPBALNDVGKPP-UKRRQHHQSA-N 0 3 333.432 3.073 20 10 EGCDHN COc1ccc(N2CC[C@H](CN[C@@H](C)c3cn(C(C)C)nn3)C2)cc1 ZINC000926613097 1327635572 /nfs/dbraw/zinc/63/55/72/1327635572.db2.gz SDMKQAWUTXODBJ-JKSUJKDBSA-N 0 3 343.475 3.045 20 10 EGCDHN CC[N@H+](CCCC(=O)OC)Cc1cc(Br)cc(C)c1[O-] ZINC001233106656 1376570318 /nfs/dbraw/zinc/57/03/18/1376570318.db2.gz KHMJDVKZCCBIBV-UHFFFAOYSA-N 0 3 344.249 3.238 20 10 EGCDHN CC[N@@H+](CCCC(=O)OC)Cc1cc(Br)cc(C)c1[O-] ZINC001233106656 1376570321 /nfs/dbraw/zinc/57/03/21/1376570321.db2.gz KHMJDVKZCCBIBV-UHFFFAOYSA-N 0 3 344.249 3.238 20 10 EGCDHN CCc1nn(C)c(OC)c1CN[C@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001323832636 1387468624 /nfs/dbraw/zinc/46/86/24/1387468624.db2.gz ZFDIVTGIIHNWQJ-DOMZBBRYSA-N 0 3 329.444 3.343 20 10 EGCDHN CC(C)(C)OC(=O)N1CC[C@@]2(CCC[N@@H+]2Cc2ccccc2[O-])C1 ZINC001203550556 1370165922 /nfs/dbraw/zinc/16/59/22/1370165922.db2.gz ZIBGCOOOTZZECY-IBGZPJMESA-N 0 3 332.444 3.368 20 10 EGCDHN CC(C)(C)OC(=O)N1CC[C@@]2(CCC[N@H+]2Cc2ccccc2[O-])C1 ZINC001203550556 1370165925 /nfs/dbraw/zinc/16/59/25/1370165925.db2.gz ZIBGCOOOTZZECY-IBGZPJMESA-N 0 3 332.444 3.368 20 10 EGCDHN COc1ccc(C[NH+]2CCC3(CC2)OCc2ccccc23)c([O-])c1 ZINC001203627995 1370193379 /nfs/dbraw/zinc/19/33/79/1370193379.db2.gz UVZFUDSGPKQIGI-UHFFFAOYSA-N 0 3 325.408 3.422 20 10 EGCDHN COc1ccc(C[N@H+](C)[C@H]2CCCN(Cc3ccccc3)C2)c([O-])c1 ZINC001203635350 1370195898 /nfs/dbraw/zinc/19/58/98/1370195898.db2.gz QMYKTIWXJVALKK-IBGZPJMESA-N 0 3 340.467 3.497 20 10 EGCDHN COc1ccc(C[N@@H+](C)[C@H]2CCCN(Cc3ccccc3)C2)c([O-])c1 ZINC001203635350 1370195902 /nfs/dbraw/zinc/19/59/02/1370195902.db2.gz QMYKTIWXJVALKK-IBGZPJMESA-N 0 3 340.467 3.497 20 10 EGCDHN COc1cccnc1O[C@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC001203935809 1370322013 /nfs/dbraw/zinc/32/20/13/1370322013.db2.gz DTNSIQDTQIWFSJ-SFHVURJKSA-N 0 3 341.455 3.200 20 10 EGCDHN CCOc1ccc(N2CCN(Cc3ccc(N(C)C)cc3)CC2)cc1 ZINC001203936495 1370322624 /nfs/dbraw/zinc/32/26/24/1370322624.db2.gz HGKIAMNDWIMGKR-UHFFFAOYSA-N 0 3 339.483 3.474 20 10 EGCDHN COc1cccc([O-])c1C[NH2+]CCN1c2ccccc2CC[C@H]1C ZINC001116475701 1370920987 /nfs/dbraw/zinc/92/09/87/1370920987.db2.gz CQMIVUPMWMPNDP-OAHLLOKOSA-N 0 3 326.440 3.332 20 10 EGCDHN COC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC001116752220 1370966739 /nfs/dbraw/zinc/96/67/39/1370966739.db2.gz DONZMOWNPPLPJS-ZWKOTPCHSA-N 0 3 325.408 3.491 20 10 EGCDHN CCOc1ccc(N2CCN(CCCc3ccncc3)CC2)cc1 ZINC001209189587 1372032529 /nfs/dbraw/zinc/03/25/29/1372032529.db2.gz LKXHVQXPEDJTQM-UHFFFAOYSA-N 0 3 325.456 3.235 20 10 EGCDHN COc1cc([O-])c(CN2CC[NH2+][C@@H](Cc3ccccc3)C2)cc1Cl ZINC001210356697 1372330839 /nfs/dbraw/zinc/33/08/39/1372330839.db2.gz PGJLWDLYQGJMCE-INIZCTEOSA-N 0 3 346.858 3.071 20 10 EGCDHN O=C(CNCc1ccc(N2CCCC2)cc1)Nc1cccc(F)c1 ZINC001326649223 1388266879 /nfs/dbraw/zinc/26/68/79/1388266879.db2.gz FJTLORUTVKINGS-UHFFFAOYSA-N 0 3 327.403 3.154 20 10 EGCDHN COc1ccccc1[C@H]1CCCN1Cc1cc(OC)c(O)cc1O ZINC001231635316 1376286872 /nfs/dbraw/zinc/28/68/72/1376286872.db2.gz GNXVPXFCXIPJGT-OAHLLOKOSA-N 0 3 329.396 3.452 20 10 EGCDHN [O-]c1c(Cl)cccc1C[NH+]1CC2(C1)CCN(Cc1cccnc1)C2 ZINC001231910757 1376346755 /nfs/dbraw/zinc/34/67/55/1376346755.db2.gz VLPDSZPFZVBHKF-UHFFFAOYSA-N 0 3 343.858 3.149 20 10 EGCDHN FC1(F)C[C@]12CCN(Cc1ccc(N3CCOCC3)c(Cl)c1)C2 ZINC001232203549 1376417381 /nfs/dbraw/zinc/41/73/81/1376417381.db2.gz YMAIFWCOLOKTLR-INIZCTEOSA-N 0 3 342.817 3.408 20 10 EGCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC001249208216 1377072523 /nfs/dbraw/zinc/07/25/23/1377072523.db2.gz QDGDEEYYQVBMIH-INIZCTEOSA-N 0 3 343.398 3.236 20 10 EGCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC001249208216 1377072527 /nfs/dbraw/zinc/07/25/27/1377072527.db2.gz QDGDEEYYQVBMIH-INIZCTEOSA-N 0 3 343.398 3.236 20 10 EGCDHN COC(=O)Cc1ccc(C[N@H+](C)[C@H](C)c2ccc(OC)cc2)c([O-])c1 ZINC001249207914 1377073238 /nfs/dbraw/zinc/07/32/38/1377073238.db2.gz MFOLNQCMOLCAPN-CQSZACIVSA-N 0 3 343.423 3.309 20 10 EGCDHN COC(=O)Cc1ccc(C[N@@H+](C)[C@H](C)c2ccc(OC)cc2)c([O-])c1 ZINC001249207914 1377073243 /nfs/dbraw/zinc/07/32/43/1377073243.db2.gz MFOLNQCMOLCAPN-CQSZACIVSA-N 0 3 343.423 3.309 20 10 EGCDHN Cc1c(CN2CC3(C2)CN(c2ccccc2)C3=O)c2ccccc2n1C ZINC001138257151 1377694843 /nfs/dbraw/zinc/69/48/43/1377694843.db2.gz YGGHWFZDDOUEBX-UHFFFAOYSA-N 0 3 345.446 3.336 20 10 EGCDHN Cc1cc(CN2CCC(Oc3cccnc3)CC2)ccc1N(C)C ZINC001139670955 1377930862 /nfs/dbraw/zinc/93/08/62/1377930862.db2.gz HYPKZUADASKGHL-UHFFFAOYSA-N 0 3 325.456 3.499 20 10 EGCDHN Cc1cc(CN2CCC[C@@H](Oc3nccnc3C)C2)ccc1N(C)C ZINC001139674226 1377931390 /nfs/dbraw/zinc/93/13/90/1377931390.db2.gz PVGJGYQJCZMIPQ-GOSISDBHSA-N 0 3 340.471 3.203 20 10 EGCDHN Cc1cc(CN2CC[C@H](N3CCCCC3)[C@@H](F)C2)ccc1N(C)C ZINC001139674519 1377932424 /nfs/dbraw/zinc/93/24/24/1377932424.db2.gz UMVLMVHAORTWEN-ICSRJNTNSA-N 0 3 333.495 3.459 20 10 EGCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(c2noc(C(F)(F)F)n2)CC1 ZINC001140055377 1377996785 /nfs/dbraw/zinc/99/67/85/1377996785.db2.gz UCNICWJQPZFFMC-UHFFFAOYSA-N 0 3 345.296 3.313 20 10 EGCDHN CC[N@@H+]1CCN(Cc2c([O-])cccc2Br)C(C)(C)C1 ZINC001140102784 1378007551 /nfs/dbraw/zinc/00/75/51/1378007551.db2.gz ZHCFKHNTQFZLBD-UHFFFAOYSA-N 0 3 327.266 3.071 20 10 EGCDHN CC[N@H+]1CCN(Cc2c([O-])cccc2Br)C(C)(C)C1 ZINC001140102784 1378007553 /nfs/dbraw/zinc/00/75/53/1378007553.db2.gz ZHCFKHNTQFZLBD-UHFFFAOYSA-N 0 3 327.266 3.071 20 10 EGCDHN Cc1ccc(C)c(CN2CCN(c3noc4ccccc43)CC2)c1O ZINC001140178824 1378026500 /nfs/dbraw/zinc/02/65/00/1378026500.db2.gz YYWULHMZKOTPEA-UHFFFAOYSA-N 0 3 337.423 3.472 20 10 EGCDHN CCOC[C@H]1CN(Cc2c(C)ccc(C)c2O)Cc2c1cnn2CC ZINC001140181986 1378027105 /nfs/dbraw/zinc/02/71/05/1378027105.db2.gz ZDNGDYLGVCOSHB-MRXNPFEDSA-N 0 3 343.471 3.361 20 10 EGCDHN CCN(CC)c1ccc(CN2CCN(C)c3ncccc3C2)c(O)c1 ZINC001140852197 1378158233 /nfs/dbraw/zinc/15/82/33/1378158233.db2.gz FVQGKXNDEZXKGP-UHFFFAOYSA-N 0 3 340.471 3.085 20 10 EGCDHN Cc1ccc(C[N@H+]2C[C@@H]3C[C@@H](CN(C(=O)OC(C)(C)C)C3)C2)c([O-])c1 ZINC001140948251 1378188723 /nfs/dbraw/zinc/18/87/23/1378188723.db2.gz ZOTWYTVAZUNWCR-IYBDPMFKSA-N 0 3 346.471 3.389 20 10 EGCDHN Cc1ccc(C[N@@H+]2C[C@@H]3C[C@@H](CN(C(=O)OC(C)(C)C)C3)C2)c([O-])c1 ZINC001140948251 1378188727 /nfs/dbraw/zinc/18/87/27/1378188727.db2.gz ZOTWYTVAZUNWCR-IYBDPMFKSA-N 0 3 346.471 3.389 20 10 EGCDHN CN1CCOc2cc(CN3CC[C@H](C(=O)c4ccccc4)C3)ccc21 ZINC001141145359 1378248715 /nfs/dbraw/zinc/24/87/15/1378248715.db2.gz AIBMCQZUCMIGLE-SFHVURJKSA-N 0 3 336.435 3.220 20 10 EGCDHN CN1CCOc2cc(CN3CCC4(CCC(=O)CC4)CC3)ccc21 ZINC001141144540 1378248727 /nfs/dbraw/zinc/24/87/27/1378248727.db2.gz GHSCBLXADZCDEC-UHFFFAOYSA-N 0 3 328.456 3.241 20 10 EGCDHN COC(=O)[C@@H]1CCN(Cc2cc(O)ccc2O)[C@@H](c2ccccc2)C1 ZINC001141162316 1378254218 /nfs/dbraw/zinc/25/42/18/1378254218.db2.gz PBGPYWLGFPEQQR-CRAIPNDOSA-N 0 3 341.407 3.224 20 10 EGCDHN CCCC1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC001319334386 1386065894 /nfs/dbraw/zinc/06/58/94/1386065894.db2.gz RHCDXHYENIJRFJ-UHFFFAOYSA-N 0 3 331.504 3.223 20 10 EGCDHN C[C@@H]([NH2+][C@H]1CCCN(C(=O)c2ccccc2)C1)c1cc(F)ccc1[O-] ZINC001321027022 1386786939 /nfs/dbraw/zinc/78/69/39/1386786939.db2.gz ICAHJKPINALYLD-PBHICJAKSA-N 0 3 342.414 3.487 20 10 EGCDHN C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@H]1O ZINC001181506021 1387006883 /nfs/dbraw/zinc/00/68/83/1387006883.db2.gz NBOMIIGNYIJETB-FOIQADDNSA-N 0 3 327.424 3.174 20 10 EGCDHN C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@H]1O ZINC001181506021 1387006887 /nfs/dbraw/zinc/00/68/87/1387006887.db2.gz NBOMIIGNYIJETB-FOIQADDNSA-N 0 3 327.424 3.174 20 10 EGCDHN C[C@H]([NH2+]Cc1ccccc1N1CCN(C)CC1)c1ccc(F)cc1[O-] ZINC001342390444 1390608024 /nfs/dbraw/zinc/60/80/24/1390608024.db2.gz PSXQZFWBKVTWTN-HNNXBMFYSA-N 0 3 343.446 3.134 20 10 EGCDHN COc1ccc(CNC2(CNC(=O)/C=C/C(C)(C)C)CC2)cc1C ZINC001754510693 1440617497 /nfs/dbraw/zinc/61/74/97/1440617497.db2.gz LKPWZLNKLVNAPF-CMDGGOBGSA-N 0 3 330.472 3.344 20 10 EGCDHN CC[C@@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1ccccc1[O-] ZINC000155074437 529681920 /nfs/dbraw/zinc/68/19/20/529681920.db2.gz SGLMEVTXHQATAM-QGZVFWFLSA-N 0 3 328.412 3.331 20 10 EGCDHN C[C@@H](O)[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000183169701 455243196 /nfs/dbraw/zinc/24/31/96/455243196.db2.gz HFKDXNBJTRABFL-NVXWUHKLSA-N 0 3 327.424 3.174 20 10 EGCDHN C[C@@H](O)[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000183169701 455243197 /nfs/dbraw/zinc/24/31/97/455243197.db2.gz HFKDXNBJTRABFL-NVXWUHKLSA-N 0 3 327.424 3.174 20 10 EGCDHN c1cc(N2CCCCC2)ccc1CN1CCS[C@@H]2COCC[C@@H]21 ZINC000091855745 454481644 /nfs/dbraw/zinc/48/16/44/454481644.db2.gz DYKCNBKTUZJOLJ-RBUKOAKNSA-N 0 3 332.513 3.383 20 10 EGCDHN CCOc1cccc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c1[O-] ZINC000093842189 454739493 /nfs/dbraw/zinc/73/94/93/454739493.db2.gz WEJNMUXLOMBBHH-GOSISDBHSA-N 0 3 349.471 3.341 20 10 EGCDHN CC(=O)c1cc(F)cc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)c1[O-] ZINC000175707268 455484992 /nfs/dbraw/zinc/48/49/92/455484992.db2.gz QCEQWRLGIAJQJQ-QGZVFWFLSA-N 0 3 334.435 3.184 20 10 EGCDHN CCCCNC(=O)C1(NCc2cccc(OC)c2O)CCCCC1 ZINC000154628853 454914632 /nfs/dbraw/zinc/91/46/32/454914632.db2.gz OTTLJBYUZNMHAE-UHFFFAOYSA-N 0 3 334.460 3.110 20 10 EGCDHN CCCCNC(=O)C1([NH2+]Cc2cccc(OC)c2[O-])CCCCC1 ZINC000154628853 454914636 /nfs/dbraw/zinc/91/46/36/454914636.db2.gz OTTLJBYUZNMHAE-UHFFFAOYSA-N 0 3 334.460 3.110 20 10 EGCDHN Cc1cccc(CN(C)Cc2ccccc2N2CCOCC2)c1O ZINC000179616367 455061323 /nfs/dbraw/zinc/06/13/23/455061323.db2.gz LEZJSYFDDLSQHR-UHFFFAOYSA-N 0 3 326.440 3.169 20 10 EGCDHN Cc1cccc(C[N@H+](C)Cc2ccccc2N2CCOCC2)c1[O-] ZINC000179616367 455061329 /nfs/dbraw/zinc/06/13/29/455061329.db2.gz LEZJSYFDDLSQHR-UHFFFAOYSA-N 0 3 326.440 3.169 20 10 EGCDHN Cc1cccc(C[N@@H+](C)Cc2ccccc2N2CCOCC2)c1[O-] ZINC000179616367 455061332 /nfs/dbraw/zinc/06/13/32/455061332.db2.gz LEZJSYFDDLSQHR-UHFFFAOYSA-N 0 3 326.440 3.169 20 10 EGCDHN Cn1ccnc1COc1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000171925607 455102932 /nfs/dbraw/zinc/10/29/32/455102932.db2.gz IKWVGQRLQQGPNE-UHFFFAOYSA-N 0 3 337.423 3.337 20 10 EGCDHN Cn1ccnc1COc1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000171925607 455102934 /nfs/dbraw/zinc/10/29/34/455102934.db2.gz IKWVGQRLQQGPNE-UHFFFAOYSA-N 0 3 337.423 3.337 20 10 EGCDHN CC(=O)c1cc(F)cc(CN2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1[O-] ZINC000129373952 455108812 /nfs/dbraw/zinc/10/88/12/455108812.db2.gz NYGVZZAQFFFWRG-PXAZEXFGSA-N 0 3 331.391 3.014 20 10 EGCDHN CC(=O)c1cc(F)cc(CN2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1O ZINC000129373952 455108815 /nfs/dbraw/zinc/10/88/15/455108815.db2.gz NYGVZZAQFFFWRG-PXAZEXFGSA-N 0 3 331.391 3.014 20 10 EGCDHN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1[O-] ZINC000129373952 455108816 /nfs/dbraw/zinc/10/88/16/455108816.db2.gz NYGVZZAQFFFWRG-PXAZEXFGSA-N 0 3 331.391 3.014 20 10 EGCDHN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1[O-] ZINC000129373952 455108818 /nfs/dbraw/zinc/10/88/18/455108818.db2.gz NYGVZZAQFFFWRG-PXAZEXFGSA-N 0 3 331.391 3.014 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c1[O-] ZINC000180316150 455157224 /nfs/dbraw/zinc/15/72/24/455157224.db2.gz CKIAYLIRBAMINM-IUODEOHRSA-N 0 3 340.261 3.464 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c1[O-] ZINC000180316150 455157226 /nfs/dbraw/zinc/15/72/26/455157226.db2.gz CKIAYLIRBAMINM-IUODEOHRSA-N 0 3 340.261 3.464 20 10 EGCDHN COc1cccc(C[NH2+]C[C@@H](c2ccc(C)o2)N2CCCC2)c1[O-] ZINC000237382528 455180014 /nfs/dbraw/zinc/18/00/14/455180014.db2.gz OVJZVBUINPIJCV-INIZCTEOSA-N 0 3 330.428 3.229 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH+]1CCC(CO)CC1 ZINC000182978907 455202672 /nfs/dbraw/zinc/20/26/72/455202672.db2.gz QFJHABLQINWTQQ-UHFFFAOYSA-N 0 3 327.424 3.176 20 10 EGCDHN COc1cc(OC)cc(N2CC[C@H]([NH2+][C@@H](C)c3ccccc3[O-])C2)c1 ZINC000183543677 455304429 /nfs/dbraw/zinc/30/44/29/455304429.db2.gz OLHKMWYPYFGUCB-GJZGRUSLSA-N 0 3 342.439 3.339 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C2CCN(Cc3ccncc3)CC2)c1 ZINC000185068870 455495621 /nfs/dbraw/zinc/49/56/21/455495621.db2.gz YHUSBZXCRYPHIT-OAHLLOKOSA-N 0 3 341.455 3.111 20 10 EGCDHN CC[C@@H]([NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1)c1ccccc1[O-] ZINC000185208686 455521306 /nfs/dbraw/zinc/52/13/06/455521306.db2.gz LCRMRRKCRYZHDM-CRAIPNDOSA-N 0 3 341.455 3.253 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2COc3c(cccc3OC)C2)c1 ZINC000185334658 455542510 /nfs/dbraw/zinc/54/25/10/455542510.db2.gz YPECAXHKOOUJDH-OCCSQVGLSA-N 0 3 329.396 3.064 20 10 EGCDHN C[C@@H]([NH2+]C[C@H](C)CN1CCN(C)CC1)c1ccc2ccccc2c1[O-] ZINC000185344088 455545089 /nfs/dbraw/zinc/54/50/89/455545089.db2.gz CIUFRWRCVBWNJS-DLBZAZTESA-N 0 3 341.499 3.080 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000185442538 455558940 /nfs/dbraw/zinc/55/89/40/455558940.db2.gz ZHBZQHXYLXDUDY-STQMWFEESA-N 0 3 336.432 3.061 20 10 EGCDHN Cc1cc(N2CCC([NH2+][C@@H](C)c3cc(F)ccc3[O-])CC2)nc(C)n1 ZINC000185655292 455590713 /nfs/dbraw/zinc/59/07/13/455590713.db2.gz JIRUIFTWZKMUHU-ZDUSSCGKSA-N 0 3 344.434 3.258 20 10 EGCDHN CCN(CC)c1ccc(CN[C@H](C)C(C)(C)n2cncn2)cc1F ZINC000284301343 455665880 /nfs/dbraw/zinc/66/58/80/455665880.db2.gz YQHJXRJRXKKGCG-CQSZACIVSA-N 0 3 333.455 3.177 20 10 EGCDHN COc1cccc([C@@H](C[NH2+][C@@H](C)c2cc(OC)ccc2[O-])N(C)C)c1 ZINC000192865525 455708041 /nfs/dbraw/zinc/70/80/41/455708041.db2.gz NIXNCWYHKCKCSL-IFXJQAMLSA-N 0 3 344.455 3.363 20 10 EGCDHN COc1ccc(CN[C@H]2CCO[C@@H]2c2ccnn2C(C)C)cc1C ZINC000284670472 455723173 /nfs/dbraw/zinc/72/31/73/455723173.db2.gz HPHVJOSAEOZOKU-LPHOPBHVSA-N 0 3 329.444 3.401 20 10 EGCDHN CC[C@@H](NCc1cc(C)nc(N2CCCC2)n1)c1ccccc1O ZINC000293351988 455783027 /nfs/dbraw/zinc/78/30/27/455783027.db2.gz HAIHWDLFQFZXMV-QGZVFWFLSA-N 0 3 326.444 3.332 20 10 EGCDHN Cc1cc(Br)cc(CN[C@H]2CCCc3c[nH]nc32)c1O ZINC000271856165 455788161 /nfs/dbraw/zinc/78/81/61/455788161.db2.gz UXMFRJNVOBNEEN-ZDUSSCGKSA-N 0 3 336.233 3.353 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CC[C@H](CO)CC2)c1[O-] ZINC000271871474 455794293 /nfs/dbraw/zinc/79/42/93/455794293.db2.gz XXGDPNRDQPZONK-YEORSEQZSA-N 0 3 328.250 3.104 20 10 EGCDHN CS(=O)(=O)CCC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000293710418 455794521 /nfs/dbraw/zinc/79/45/21/455794521.db2.gz LWBRDSVFQWGGNS-GOSISDBHSA-N 0 3 347.480 3.090 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3F)C2)c1 ZINC000293723017 455796109 /nfs/dbraw/zinc/79/61/09/455796109.db2.gz PRSHGCYDHCTABQ-UONOGXRCSA-N 0 3 330.403 3.469 20 10 EGCDHN Cc1nnsc1CN[C@H](C)c1cc(Br)cc(C)c1O ZINC000293800447 455798427 /nfs/dbraw/zinc/79/84/27/455798427.db2.gz UYDGZSAFVIJPPF-MRVPVSSYSA-N 0 3 342.262 3.474 20 10 EGCDHN CCOc1ccc([O-])c(C[NH+]2CCC(CO)(c3ccccc3)CC2)c1 ZINC000293951869 455801521 /nfs/dbraw/zinc/80/15/21/455801521.db2.gz PBOWIOKAVSFSNJ-UHFFFAOYSA-N 0 3 341.451 3.317 20 10 EGCDHN COC[C@@H](C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-])OC ZINC000294360314 455812867 /nfs/dbraw/zinc/81/28/67/455812867.db2.gz QJBHEDAQDJFSPX-IEBWSBKVSA-N 0 3 329.440 3.317 20 10 EGCDHN Cc1cc(C)c([C@H](C)[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)c([O-])c1 ZINC000285321136 455824235 /nfs/dbraw/zinc/82/42/35/455824235.db2.gz TWNLMSVDCGYVJF-JQHSSLGASA-N 0 3 332.488 3.037 20 10 EGCDHN Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000285338087 455826302 /nfs/dbraw/zinc/82/63/02/455826302.db2.gz UPGVJPFWLJHJDL-HNNXBMFYSA-N 0 3 330.428 3.381 20 10 EGCDHN CCC[N@H+](Cc1ccc2c(c1)NC(=O)CO2)Cc1ccccc1[O-] ZINC000295489960 455850543 /nfs/dbraw/zinc/85/05/43/455850543.db2.gz XPUOJYYARDGCDD-UHFFFAOYSA-N 0 3 326.396 3.135 20 10 EGCDHN CCC[N@@H+](Cc1ccc2c(c1)NC(=O)CO2)Cc1ccccc1[O-] ZINC000295489960 455850548 /nfs/dbraw/zinc/85/05/48/455850548.db2.gz XPUOJYYARDGCDD-UHFFFAOYSA-N 0 3 326.396 3.135 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCC(=O)NC(C)C)c1[O-] ZINC000186984395 455859428 /nfs/dbraw/zinc/85/94/28/455859428.db2.gz KWOBCCHKVREVPE-NSHDSACASA-N 0 3 343.265 3.028 20 10 EGCDHN CCN(CC)c1ccc(CNC(=O)C2CCN(C3CC3)CC2)cc1F ZINC000194590832 455862288 /nfs/dbraw/zinc/86/22/88/455862288.db2.gz FDUDAADETDRKGO-UHFFFAOYSA-N 0 3 347.478 3.163 20 10 EGCDHN O=C(/C=C\c1cncc(F)c1)N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000255266999 455863897 /nfs/dbraw/zinc/86/38/97/455863897.db2.gz KJAFVITXDUQAGJ-ZEVQVBBLSA-N 0 3 337.398 3.245 20 10 EGCDHN C[C@H](Cn1ccnc1)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000279956693 455878988 /nfs/dbraw/zinc/87/89/88/455878988.db2.gz OWVLCIXDLQYTHJ-GFCCVEGCSA-N 0 3 326.366 3.146 20 10 EGCDHN CC[C@@H]([NH2+]CCNC(=O)c1cccc(OC)c1)c1ccc(C)cc1[O-] ZINC000280186884 455911120 /nfs/dbraw/zinc/91/11/20/455911120.db2.gz RZCVTIWGOIDOCM-GOSISDBHSA-N 0 3 342.439 3.180 20 10 EGCDHN CCS(=O)(=O)c1ccc(CNCc2cc(C)c(C)cc2O)s1 ZINC000280490545 455982221 /nfs/dbraw/zinc/98/22/21/455982221.db2.gz FFHTVSWFEWRWAO-UHFFFAOYSA-N 0 3 339.482 3.154 20 10 EGCDHN Cn1c2cccc(F)c2nc1CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296746380 456028060 /nfs/dbraw/zinc/02/80/60/456028060.db2.gz JOEYYCPYOOGXDI-AWEZNQCLSA-N 0 3 325.387 3.238 20 10 EGCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1 ZINC000272693282 456041823 /nfs/dbraw/zinc/04/18/23/456041823.db2.gz XHYRWLFMDCDHJE-HUUCEWRRSA-N 0 3 334.460 3.436 20 10 EGCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1 ZINC000272693282 456041829 /nfs/dbraw/zinc/04/18/29/456041829.db2.gz XHYRWLFMDCDHJE-HUUCEWRRSA-N 0 3 334.460 3.436 20 10 EGCDHN COc1cc(OC)cc(OCC[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000297021886 456095021 /nfs/dbraw/zinc/09/50/21/456095021.db2.gz UHTVFOKCULATGY-QGZVFWFLSA-N 0 3 329.396 3.065 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC(NC(=O)C(C)C)CC2)cc1 ZINC000271093064 456123400 /nfs/dbraw/zinc/12/34/00/456123400.db2.gz XDMFFWDUGGYFTA-UHFFFAOYSA-N 0 3 331.504 3.269 20 10 EGCDHN COc1ccc(O)c([C@@H](C)NCc2cc(OC)c(OC)cc2OC)c1 ZINC000273381850 456226846 /nfs/dbraw/zinc/22/68/46/456226846.db2.gz IIGKPIBBUKOGAG-GFCCVEGCSA-N 0 3 347.411 3.277 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2ccccc2Cn2ccnc2)c1 ZINC000273414890 456228187 /nfs/dbraw/zinc/22/81/87/456228187.db2.gz QQEUBYQGHVAEEM-HNNXBMFYSA-N 0 3 337.423 3.496 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]CCc2nnc3n2CCCCC3)c([O-])c1C ZINC000273411806 456228907 /nfs/dbraw/zinc/22/89/07/456228907.db2.gz PUPUVKLNDJJXCO-HNNXBMFYSA-N 0 3 328.460 3.220 20 10 EGCDHN CCNC(=O)COc1cccc(C[NH2+][C@H](C)c2cc(C)ccc2[O-])c1 ZINC000273441960 456231910 /nfs/dbraw/zinc/23/19/10/456231910.db2.gz YVZBHMPJFZAZQC-OAHLLOKOSA-N 0 3 342.439 3.066 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]CCCNC(=O)c2cccc(O)c2)c([O-])c1C ZINC000273562955 456239443 /nfs/dbraw/zinc/23/94/43/456239443.db2.gz IQJVVZOSIHQJMS-HNNXBMFYSA-N 0 3 342.439 3.185 20 10 EGCDHN CC[C@@H](C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1)N(C)C ZINC000298241134 456400554 /nfs/dbraw/zinc/40/05/54/456400554.db2.gz LVDBMMGJQIPKEM-IBGZPJMESA-N 0 3 343.471 3.215 20 10 EGCDHN CO[C@@H]1CC[N@H+](Cc2cc(Br)cc(C)c2[O-])[C@@H](C)C1 ZINC000282178849 456433986 /nfs/dbraw/zinc/43/39/86/456433986.db2.gz FMZHHDJCJBLIAX-SMDDNHRTSA-N 0 3 328.250 3.462 20 10 EGCDHN CO[C@@H]1CC[N@@H+](Cc2cc(Br)cc(C)c2[O-])[C@@H](C)C1 ZINC000282178849 456433990 /nfs/dbraw/zinc/43/39/90/456433990.db2.gz FMZHHDJCJBLIAX-SMDDNHRTSA-N 0 3 328.250 3.462 20 10 EGCDHN CO[C@@H]1CC[N@H+](Cc2cc(Br)cc(C)c2[O-])[C@H](C)C1 ZINC000282178838 456434796 /nfs/dbraw/zinc/43/47/96/456434796.db2.gz FMZHHDJCJBLIAX-BXUZGUMPSA-N 0 3 328.250 3.462 20 10 EGCDHN CO[C@@H]1CC[N@@H+](Cc2cc(Br)cc(C)c2[O-])[C@H](C)C1 ZINC000282178838 456434803 /nfs/dbraw/zinc/43/48/03/456434803.db2.gz FMZHHDJCJBLIAX-BXUZGUMPSA-N 0 3 328.250 3.462 20 10 EGCDHN COc1ccc(CN[C@@H]2CCN(C(=O)Nc3ccccc3)C2)cc1C ZINC000282881733 456653838 /nfs/dbraw/zinc/65/38/38/456653838.db2.gz CRUVPLMOQFYNGN-GOSISDBHSA-N 0 3 339.439 3.400 20 10 EGCDHN COc1ccc(N2CCCN(Cc3cn(C(C)C)nc3C)CC2)cc1 ZINC000374228125 457531467 /nfs/dbraw/zinc/53/14/67/457531467.db2.gz FSMLLWWWMWTHRO-UHFFFAOYSA-N 0 3 342.487 3.493 20 10 EGCDHN O=C1Nc2ccccc2[C@H]1C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000361070982 457562485 /nfs/dbraw/zinc/56/24/85/457562485.db2.gz ZIDBLQOYBVAZJY-LJQANCHMSA-N 0 3 340.398 3.479 20 10 EGCDHN COc1ccc(C[NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)c([O-])c1 ZINC000366265984 457803226 /nfs/dbraw/zinc/80/32/26/457803226.db2.gz HMOJIZIBZNMECQ-UHFFFAOYSA-N 0 3 345.349 3.359 20 10 EGCDHN C[C@@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ncc[nH]1 ZINC000367754358 457979417 /nfs/dbraw/zinc/97/94/17/457979417.db2.gz MSFVYXHROKZINN-GFCCVEGCSA-N 0 3 336.386 3.331 20 10 EGCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(O)(Cc2ccccc2F)CC1 ZINC000369661680 458306412 /nfs/dbraw/zinc/30/64/12/458306412.db2.gz CQUXMWVMCGYJTD-UHFFFAOYSA-N 0 3 333.378 3.240 20 10 EGCDHN Cc1c2ccccc2n(C)c1CNC[C@@H](O)COCc1cccs1 ZINC000578064588 459140499 /nfs/dbraw/zinc/14/04/99/459140499.db2.gz LXOBQUHXBKVRQI-OAHLLOKOSA-N 0 3 344.480 3.216 20 10 EGCDHN Cc1c2ccccc2n(C)c1CNC(=O)Nc1ccc2c(c1)CNC2 ZINC000571893164 459573968 /nfs/dbraw/zinc/57/39/68/459573968.db2.gz SQVGIIYGWVXZFC-UHFFFAOYSA-N 0 3 334.423 3.412 20 10 EGCDHN CCOc1ccc(O)c(CN[C@H](c2ccc(OC)nc2)C2CC2)c1 ZINC000527842036 459755757 /nfs/dbraw/zinc/75/57/57/459755757.db2.gz UBSUNBBDJWYILO-IBGZPJMESA-N 0 3 328.412 3.435 20 10 EGCDHN CCOc1ccc([O-])c(C[NH2+][C@H](c2ccc(OC)nc2)C2CC2)c1 ZINC000527842036 459755761 /nfs/dbraw/zinc/75/57/61/459755761.db2.gz UBSUNBBDJWYILO-IBGZPJMESA-N 0 3 328.412 3.435 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC23CC(C2)CO3)c1[O-] ZINC000527981155 459787272 /nfs/dbraw/zinc/78/72/72/459787272.db2.gz OTUMVMMNQJOIGH-RWWNRMGGSA-N 0 3 326.234 3.293 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]CC12CC(C1)CO2 ZINC000529663800 459832699 /nfs/dbraw/zinc/83/26/99/459832699.db2.gz SOALCFFNVWSMAZ-UHFFFAOYSA-N 0 3 325.408 3.240 20 10 EGCDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCc2ccccc2O)C1 ZINC000726237802 574546839 /nfs/dbraw/zinc/54/68/39/574546839.db2.gz MVWMLQZOSJLECS-CRAIPNDOSA-N 0 3 339.439 3.027 20 10 EGCDHN Cc1cc(C(=O)NC[C@@H](C)N(C)C2CC2)c(C)n1-c1ccc(F)cc1 ZINC000727742079 574688085 /nfs/dbraw/zinc/68/80/85/574688085.db2.gz XLTNWKKJHUTATC-CQSZACIVSA-N 0 3 343.446 3.446 20 10 EGCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COc1ccccc1C ZINC000727830954 574692823 /nfs/dbraw/zinc/69/28/23/574692823.db2.gz YAINEKAWFQXVSR-GOSISDBHSA-N 0 3 329.440 3.353 20 10 EGCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)COc1ccccc1C ZINC000727830954 574692826 /nfs/dbraw/zinc/69/28/26/574692826.db2.gz YAINEKAWFQXVSR-GOSISDBHSA-N 0 3 329.440 3.353 20 10 EGCDHN CN(C(=O)CN(Cc1ccccc1O)C1CCCC1)c1nccs1 ZINC000731846144 575212012 /nfs/dbraw/zinc/21/20/12/575212012.db2.gz VBVYDCOATDIAIO-UHFFFAOYSA-N 0 3 345.468 3.256 20 10 EGCDHN O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cc([O-])cs1 ZINC000731872332 575214409 /nfs/dbraw/zinc/21/44/09/575214409.db2.gz FNTNINCNQDBXOB-LBPRGKRZSA-N 0 3 336.482 3.157 20 10 EGCDHN O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cc([O-])cs1 ZINC000731872332 575214411 /nfs/dbraw/zinc/21/44/11/575214411.db2.gz FNTNINCNQDBXOB-LBPRGKRZSA-N 0 3 336.482 3.157 20 10 EGCDHN CCN(C)c1ccc(CN(C)Cc2ccc(C(=O)NC)cc2)cc1 ZINC000741752925 576717182 /nfs/dbraw/zinc/71/71/82/576717182.db2.gz IVOHZRZJZVEDAR-UHFFFAOYSA-N 0 3 325.456 3.134 20 10 EGCDHN CC[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(N(C)C)cc1 ZINC000820926012 606999375 /nfs/dbraw/zinc/99/93/75/606999375.db2.gz OSLLSWMMRZDPJA-SFHVURJKSA-N 0 3 336.443 3.174 20 10 EGCDHN CC[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(N(C)C)cc1 ZINC000820926012 606999376 /nfs/dbraw/zinc/99/93/76/606999376.db2.gz OSLLSWMMRZDPJA-SFHVURJKSA-N 0 3 336.443 3.174 20 10 EGCDHN Cc1cccc(C[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1O ZINC000826298146 608581455 /nfs/dbraw/zinc/58/14/55/608581455.db2.gz GDXLLOQGWUCLHM-UHFFFAOYSA-N 0 3 337.427 3.291 20 10 EGCDHN Cc1cccc(C[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1O ZINC000826298146 608581457 /nfs/dbraw/zinc/58/14/57/608581457.db2.gz GDXLLOQGWUCLHM-UHFFFAOYSA-N 0 3 337.427 3.291 20 10 EGCDHN Cc1cccc(C[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1O ZINC000826298146 608581459 /nfs/dbraw/zinc/58/14/59/608581459.db2.gz GDXLLOQGWUCLHM-UHFFFAOYSA-N 0 3 337.427 3.291 20 10 EGCDHN Cc1cccc(C[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1O ZINC000826298146 608581461 /nfs/dbraw/zinc/58/14/61/608581461.db2.gz GDXLLOQGWUCLHM-UHFFFAOYSA-N 0 3 337.427 3.291 20 10 EGCDHN C[C@H](C[NH2+]Cc1cccc(Br)c1[O-])CN1CCCCC1 ZINC000048797562 1291618350 /nfs/dbraw/zinc/61/83/50/1291618350.db2.gz HAIVQMTYHHMXQE-CYBMUJFWSA-N 0 3 341.293 3.366 20 10 EGCDHN C[N@H+](Cc1cc(-c2ccccc2)ccc1[O-])C1(CO)CCOCC1 ZINC000827909478 1292399624 /nfs/dbraw/zinc/39/96/24/1292399624.db2.gz WEYLNEAUFWBLNY-UHFFFAOYSA-N 0 3 327.424 3.033 20 10 EGCDHN C[N@@H+](Cc1cc(-c2ccccc2)ccc1[O-])C1(CO)CCOCC1 ZINC000827909478 1292399637 /nfs/dbraw/zinc/39/96/37/1292399637.db2.gz WEYLNEAUFWBLNY-UHFFFAOYSA-N 0 3 327.424 3.033 20 10 EGCDHN Cc1cc(C(=O)N(CCN(C)C)CC(C)C)c(C)n1-c1ccccn1 ZINC000104529165 1293025192 /nfs/dbraw/zinc/02/51/92/1293025192.db2.gz IOTKPDOBCHARPO-UHFFFAOYSA-N 0 3 342.487 3.149 20 10 EGCDHN O=C1[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCN1c1ccccc1Cl ZINC000834645882 1293126921 /nfs/dbraw/zinc/12/69/21/1293126921.db2.gz PLYXCVHECZCSLG-LSDHHAIUSA-N 0 3 342.826 3.428 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cc2cccc(F)c2)c2c1c(F)ccc2[O-] ZINC000834828091 1293154916 /nfs/dbraw/zinc/15/49/16/1293154916.db2.gz OTDVEJGPDYIDPV-WPGHFRTFSA-N 0 3 333.378 3.412 20 10 EGCDHN CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccnc1C)c1ccc(C)cc1[O-] ZINC000834912003 1293174958 /nfs/dbraw/zinc/17/49/58/1293174958.db2.gz PDWWEOONCHJSEB-HOCLYGCPSA-N 0 3 327.428 3.472 20 10 EGCDHN CC[C@@H]([NH2+]C[C@H](O)c1cc(OC)ccc1OC)c1ccccc1[O-] ZINC000121082173 1293354498 /nfs/dbraw/zinc/35/44/98/1293354498.db2.gz VDCSZVCQTNVEDM-AEFFLSMTSA-N 0 3 331.412 3.184 20 10 EGCDHN CCCCN(C)C(=O)C1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000123204269 1293436590 /nfs/dbraw/zinc/43/65/90/1293436590.db2.gz KRGFBBLEPOTGFA-UHFFFAOYSA-N 0 3 349.494 3.362 20 10 EGCDHN CN(C)c1ccc(CN(Cc2ccccc2O)C[C@H]2CCCO2)cn1 ZINC000160204299 1294262178 /nfs/dbraw/zinc/26/21/78/1294262178.db2.gz LKIMIIMKHRTJOK-GOSISDBHSA-N 0 3 341.455 3.034 20 10 EGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@@H](C4OCCO4)C3)c2c1 ZINC000172491237 1294437320 /nfs/dbraw/zinc/43/73/20/1294437320.db2.gz OORMKRZQZBIWNJ-OAHLLOKOSA-N 0 3 343.423 3.139 20 10 EGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@@H](C4OCCO4)C3)c2c1 ZINC000172491237 1294437323 /nfs/dbraw/zinc/43/73/23/1294437323.db2.gz OORMKRZQZBIWNJ-OAHLLOKOSA-N 0 3 343.423 3.139 20 10 EGCDHN CC[C@H](N[C@H](C)C(=O)NCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000177944715 1294705156 /nfs/dbraw/zinc/70/51/56/1294705156.db2.gz PKCLVAZMWAGCCI-UZLBHIALSA-N 0 3 339.483 3.498 20 10 EGCDHN O=C(NC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1)c1ccccc1 ZINC000180027366 1294854884 /nfs/dbraw/zinc/85/48/84/1294854884.db2.gz BFIFZUHAAGNGCA-HNNXBMFYSA-N 0 3 342.414 3.173 20 10 EGCDHN O=C(NC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1)c1ccccc1 ZINC000180027366 1294854894 /nfs/dbraw/zinc/85/48/94/1294854894.db2.gz BFIFZUHAAGNGCA-HNNXBMFYSA-N 0 3 342.414 3.173 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCC(=O)N(C)[C@@H]2CCCC[C@H]2C)c1 ZINC000182371755 1295040721 /nfs/dbraw/zinc/04/07/21/1295040721.db2.gz RVCLRWQKXHOTEK-JKIFEVAISA-N 0 3 334.460 3.089 20 10 EGCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N[C@H](C)CCCC(C)C)c1 ZINC000182382465 1295041737 /nfs/dbraw/zinc/04/17/37/1295041737.db2.gz MUTUAAPRZKZRAN-HUUCEWRRSA-N 0 3 336.476 3.382 20 10 EGCDHN Cc1cccc([C@H](C)NCC(=O)NCc2ccc(N(C)C)cc2)c1C ZINC000183716022 1295139683 /nfs/dbraw/zinc/13/96/83/1295139683.db2.gz BQRLBBLAVATPSU-KRWDZBQOSA-N 0 3 339.483 3.336 20 10 EGCDHN C[C@@H]([NH2+]CCCNC(=O)c1cccc(F)c1)c1cc(F)ccc1[O-] ZINC000186016189 1295299104 /nfs/dbraw/zinc/29/91/04/1295299104.db2.gz CHIAIFPVTYCWJZ-GFCCVEGCSA-N 0 3 334.366 3.141 20 10 EGCDHN C[C@@H]1[C@H]([NH2+]Cc2cc(F)ccc2[O-])CCCN1C(=O)OC(C)(C)C ZINC000310044016 1297084047 /nfs/dbraw/zinc/08/40/47/1297084047.db2.gz WMHBHYNCXWRXTN-IUODEOHRSA-N 0 3 338.423 3.409 20 10 EGCDHN CC(C)(C)OC(=O)N(CC[NH2+][C@@H]1CCc2cccc([O-])c21)C1CC1 ZINC000383814667 1297574456 /nfs/dbraw/zinc/57/44/56/1297574456.db2.gz GSAXDDLXHVQHLE-OAHLLOKOSA-N 0 3 332.444 3.369 20 10 EGCDHN CC[C@H]([NH2+]C[C@@H](C)CN(C)C)c1cc(Br)ccc1[O-] ZINC000388708246 1297603728 /nfs/dbraw/zinc/60/37/28/1297603728.db2.gz XBCSCTLVWLFDMF-RISCZKNCSA-N 0 3 329.282 3.393 20 10 EGCDHN CCOc1ccc(C[NH2+][C@@H](CC(=O)N(C)C)c2ccccc2)c([O-])c1 ZINC000725846937 1298373362 /nfs/dbraw/zinc/37/33/62/1298373362.db2.gz YQXPXHSFOPRCHS-SFHVURJKSA-N 0 3 342.439 3.100 20 10 EGCDHN Cc1ccc(NC(=O)C2CC[NH+](Cc3c(C)cccc3[O-])CC2)nc1 ZINC000876595727 1298855744 /nfs/dbraw/zinc/85/57/44/1298855744.db2.gz FHQCCPGUIXZYFQ-UHFFFAOYSA-N 0 3 339.439 3.255 20 10 EGCDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000876811016 1299005580 /nfs/dbraw/zinc/00/55/80/1299005580.db2.gz FXAAYJOKZQUNOD-LSDHHAIUSA-N 0 3 334.460 3.436 20 10 EGCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000876811016 1299005590 /nfs/dbraw/zinc/00/55/90/1299005590.db2.gz FXAAYJOKZQUNOD-LSDHHAIUSA-N 0 3 334.460 3.436 20 10 EGCDHN C[C@@H](c1ccccn1)N(C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877169893 1299192546 /nfs/dbraw/zinc/19/25/46/1299192546.db2.gz HAQLPRRKIIEEQB-INIZCTEOSA-N 0 3 325.456 3.236 20 10 EGCDHN COc1cc(CN[C@@H](C)[C@@H](O)C(F)(F)F)c(O)c(C(C)(C)C)c1 ZINC000865710394 1329731435 /nfs/dbraw/zinc/73/14/35/1329731435.db2.gz BMAIPJWSJXILRN-LKFCYVNXSA-N 0 3 335.366 3.100 20 10 EGCDHN Cc1cccc([O-])c1C[NH2+]CCc1ccc(OCC(F)(F)F)nc1 ZINC000877417787 1299287816 /nfs/dbraw/zinc/28/78/16/1299287816.db2.gz YFORKAKXXPDUIJ-UHFFFAOYSA-N 0 3 340.345 3.369 20 10 EGCDHN COc1cccc(CNCc2cc(OC)c(OC)cc2Cl)c1O ZINC000877526236 1299370535 /nfs/dbraw/zinc/37/05/35/1299370535.db2.gz QTMCUZPLCWUTAN-UHFFFAOYSA-N 0 3 337.803 3.361 20 10 EGCDHN COc1ccc(O)c([C@@H](C)NCc2ccccc2OCCCCO)c1 ZINC000877533365 1299375472 /nfs/dbraw/zinc/37/54/72/1299375472.db2.gz NOCVUKVFHBNVRM-OAHLLOKOSA-N 0 3 345.439 3.403 20 10 EGCDHN C[C@@H]1C[C@@H](NC(=O)c2cc([O-])cs2)CC[N@@H+]1Cc1ccccc1 ZINC000751071051 1299507877 /nfs/dbraw/zinc/50/78/77/1299507877.db2.gz RKLPZHNLXDDJQO-HIFRSBDPSA-N 0 3 330.453 3.237 20 10 EGCDHN C[C@@H]1C[C@@H](NC(=O)c2cc([O-])cs2)CC[N@H+]1Cc1ccccc1 ZINC000751071051 1299507881 /nfs/dbraw/zinc/50/78/81/1299507881.db2.gz RKLPZHNLXDDJQO-HIFRSBDPSA-N 0 3 330.453 3.237 20 10 EGCDHN C[C@@H]1C[C@@H](NC(=O)C2=CC(=O)CS2)CCN1Cc1ccccc1 ZINC000751071051 1299507885 /nfs/dbraw/zinc/50/78/85/1299507885.db2.gz RKLPZHNLXDDJQO-HIFRSBDPSA-N 0 3 330.453 3.237 20 10 EGCDHN COC(=O)[C@@H](C)Oc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000877756263 1299532507 /nfs/dbraw/zinc/53/25/07/1299532507.db2.gz CTOKWNFTRXMGLW-ZIAGYGMSSA-N 0 3 329.396 3.183 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]Cc2cc3c([nH]c2=O)CCCC3)c1[O-] ZINC000877780309 1299556258 /nfs/dbraw/zinc/55/62/58/1299556258.db2.gz MJTHTYPHBRXBLT-UHFFFAOYSA-N 0 3 348.830 3.323 20 10 EGCDHN COc1cc(Cl)cc(CNCc2cc3c([nH]c2=O)CCCC3)c1O ZINC000877780309 1299556266 /nfs/dbraw/zinc/55/62/66/1299556266.db2.gz MJTHTYPHBRXBLT-UHFFFAOYSA-N 0 3 348.830 3.323 20 10 EGCDHN C/C(=C/c1ccccc1)C[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000754863077 1300231980 /nfs/dbraw/zinc/23/19/80/1300231980.db2.gz PTLQWLWFKOHSAL-YXZIBZLCSA-N 0 3 325.408 3.353 20 10 EGCDHN C/C(=C/c1ccccc1)C[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000754863077 1300231989 /nfs/dbraw/zinc/23/19/89/1300231989.db2.gz PTLQWLWFKOHSAL-YXZIBZLCSA-N 0 3 325.408 3.353 20 10 EGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H](c4nccn4C)C3)c2c1 ZINC000755787405 1300398168 /nfs/dbraw/zinc/39/81/68/1300398168.db2.gz DFNZGFRNVPPMIL-HNNXBMFYSA-N 0 3 337.423 3.277 20 10 EGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H](c4nccn4C)C3)c2c1 ZINC000755787405 1300398180 /nfs/dbraw/zinc/39/81/80/1300398180.db2.gz DFNZGFRNVPPMIL-HNNXBMFYSA-N 0 3 337.423 3.277 20 10 EGCDHN C[C@H]1C[C@@H]([NH2+]CCCN2C[C@@H](C)O[C@@H](C)C2)c2c1c(F)ccc2[O-] ZINC000756369207 1300477117 /nfs/dbraw/zinc/47/71/17/1300477117.db2.gz RRUQABRVASCEOT-TTZDDIAXSA-N 0 3 336.451 3.169 20 10 EGCDHN C[C@H]1C[C@@H]([NH2+]CCCN2CCCCCC2=O)c2c1c(F)ccc2[O-] ZINC000756370385 1300478049 /nfs/dbraw/zinc/47/80/49/1300478049.db2.gz GGDUFXFPNODKPI-DZGCQCFKSA-N 0 3 334.435 3.462 20 10 EGCDHN CCOC(=O)N1CCC([NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)CC1 ZINC000756379769 1300479548 /nfs/dbraw/zinc/47/95/48/1300479548.db2.gz BPFVPKSGGFCOQI-BXUZGUMPSA-N 0 3 336.407 3.290 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+]CCc2cn3c(n2)CCCC3)c2c1c(F)ccc2[O-] ZINC000756402657 1300484499 /nfs/dbraw/zinc/48/44/99/1300484499.db2.gz NOFMYBUXIGPQCK-DOMZBBRYSA-N 0 3 329.419 3.445 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+]CCc2nnc3n2CCCCC3)c2c1c(F)ccc2[O-] ZINC000756398680 1300484886 /nfs/dbraw/zinc/48/48/86/1300484886.db2.gz XPTHYFZEXYJWTD-OCCSQVGLSA-N 0 3 344.434 3.230 20 10 EGCDHN Cc1ccc(C(=O)NCC[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)cc1 ZINC000756446488 1300493623 /nfs/dbraw/zinc/49/36/23/1300493623.db2.gz QRGBYMQVJMCLHO-CJNGLKHVSA-N 0 3 342.414 3.408 20 10 EGCDHN CNC(=O)c1cccc(C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)c1 ZINC000756465839 1300498846 /nfs/dbraw/zinc/49/88/46/1300498846.db2.gz MDOGOJMPKNMDGR-ABAIWWIYSA-N 0 3 328.387 3.229 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccn2)c2c1c(F)ccc2[O-] ZINC000756477329 1300501143 /nfs/dbraw/zinc/50/11/43/1300501143.db2.gz AHRYLMOYGSNTNG-DGCLKSJQSA-N 0 3 329.375 3.093 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+]C2CCN(CC(F)F)CC2)c2c1c(F)ccc2[O-] ZINC000756501703 1300508027 /nfs/dbraw/zinc/50/80/27/1300508027.db2.gz FZJRWWAMVBLAII-ZWNOBZJWSA-N 0 3 328.378 3.399 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+]C2CCN(C[C@@H]3CCCO3)CC2)c2c1c(F)ccc2[O-] ZINC000756570838 1300524456 /nfs/dbraw/zinc/52/44/56/1300524456.db2.gz BNGKLXWKNIMSKG-UKPHBRMFSA-N 0 3 348.462 3.313 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+][C@H](CO)C[C@H](O)c2ccccc2)c2c1c(F)ccc2[O-] ZINC000756770740 1300564444 /nfs/dbraw/zinc/56/44/44/1300564444.db2.gz MHMTYSCUBOUNNX-XJOINEQPSA-N 0 3 345.414 3.154 20 10 EGCDHN CC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000879648481 1300647531 /nfs/dbraw/zinc/64/75/31/1300647531.db2.gz QVRUTPHVJMIWAV-CHWSQXEVSA-N 0 3 326.396 3.273 20 10 EGCDHN C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)C(=O)NCC3)c2c1c(F)ccc2[O-] ZINC000757660662 1300706441 /nfs/dbraw/zinc/70/64/41/1300706441.db2.gz IPLMTPGHUKSSCW-MEDUHNTESA-N 0 3 340.398 3.155 20 10 EGCDHN Cc1ccc(C(C)(C)NCc2ccc(N3CCOCC3)cc2)cn1 ZINC000759187354 1301035565 /nfs/dbraw/zinc/03/55/65/1301035565.db2.gz PPSMREDHDGYXLP-UHFFFAOYSA-N 0 3 325.456 3.252 20 10 EGCDHN CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)[C@@]12CCCO2 ZINC000760881579 1301357645 /nfs/dbraw/zinc/35/76/45/1301357645.db2.gz QEAJYPYQQMIJBQ-REYOYVKASA-N 0 3 335.419 3.396 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+](CCO)CCc2ccccc2)c1[O-] ZINC000761200583 1301418399 /nfs/dbraw/zinc/41/83/99/1301418399.db2.gz XCJGGPVNCHMGJK-UHFFFAOYSA-N 0 3 335.831 3.091 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+](CCO)CCc2ccccc2)c1[O-] ZINC000761200583 1301418404 /nfs/dbraw/zinc/41/84/04/1301418404.db2.gz XCJGGPVNCHMGJK-UHFFFAOYSA-N 0 3 335.831 3.091 20 10 EGCDHN C[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)c1cc(O)ccc1F ZINC000883290811 1302370306 /nfs/dbraw/zinc/37/03/06/1302370306.db2.gz IIMJUFKNRBHCKU-OAHLLOKOSA-N 0 3 343.446 3.134 20 10 EGCDHN CCOc1ccc(C[N@H+](C)Cc2ccc(OC)c(OC)c2)c([O-])c1 ZINC000768170904 1302844621 /nfs/dbraw/zinc/84/46/21/1302844621.db2.gz XZQROUCLWNDFPF-UHFFFAOYSA-N 0 3 331.412 3.440 20 10 EGCDHN CCOc1ccc(C[N@@H+](C)Cc2ccc(OC)c(OC)c2)c([O-])c1 ZINC000768170904 1302844633 /nfs/dbraw/zinc/84/46/33/1302844633.db2.gz XZQROUCLWNDFPF-UHFFFAOYSA-N 0 3 331.412 3.440 20 10 EGCDHN COc1cccc(O)c1CN1CCN(Cc2ccccc2C)CC1 ZINC000768194831 1302854551 /nfs/dbraw/zinc/85/45/51/1302854551.db2.gz FYVCKZROGATXOC-UHFFFAOYSA-N 0 3 326.440 3.027 20 10 EGCDHN Cc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768444315 1302907120 /nfs/dbraw/zinc/90/71/20/1302907120.db2.gz XGXHZWMBWKBDHU-PKOBYXMFSA-N 0 3 325.408 3.464 20 10 EGCDHN Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768444315 1302907131 /nfs/dbraw/zinc/90/71/31/1302907131.db2.gz XGXHZWMBWKBDHU-PKOBYXMFSA-N 0 3 325.408 3.464 20 10 EGCDHN Oc1cc2c(cc1CN1CCSC[C@@H]1c1ccccc1)[C@H](O)CO2 ZINC000768444368 1302907326 /nfs/dbraw/zinc/90/73/26/1302907326.db2.gz AGMKFWXBUSDPMO-SJLPKXTDSA-N 0 3 343.448 3.108 20 10 EGCDHN C[C@@H]1C[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC[C@H]1c1ccccc1 ZINC000768466463 1302913178 /nfs/dbraw/zinc/91/31/78/1302913178.db2.gz QKHGZTJTLHBBHQ-ZTQAJYAQSA-N 0 3 339.435 3.444 20 10 EGCDHN C[C@@H]1C[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC[C@H]1c1ccccc1 ZINC000768466463 1302913190 /nfs/dbraw/zinc/91/31/90/1302913190.db2.gz QKHGZTJTLHBBHQ-ZTQAJYAQSA-N 0 3 339.435 3.444 20 10 EGCDHN C[C@@H]1C[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC[C@@H]1c1ccccc1 ZINC000768466452 1302913996 /nfs/dbraw/zinc/91/39/96/1302913996.db2.gz QKHGZTJTLHBBHQ-CFLQYTFWSA-N 0 3 339.435 3.444 20 10 EGCDHN C[C@@H]1C[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC[C@@H]1c1ccccc1 ZINC000768466452 1302914003 /nfs/dbraw/zinc/91/40/03/1302914003.db2.gz QKHGZTJTLHBBHQ-CFLQYTFWSA-N 0 3 339.435 3.444 20 10 EGCDHN CCOc1ccc(CN2CCC([C@](C)(O)C(F)(F)F)CC2)c(O)c1 ZINC000768531348 1302926152 /nfs/dbraw/zinc/92/61/52/1302926152.db2.gz CAQKYXPZGRDTPL-INIZCTEOSA-N 0 3 347.377 3.316 20 10 EGCDHN CCOc1ccc(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)c([O-])c1 ZINC000768894778 1303008675 /nfs/dbraw/zinc/00/86/75/1303008675.db2.gz HJMWJUSMBDFFKX-UHFFFAOYSA-N 0 3 346.471 3.015 20 10 EGCDHN COc1cc(Br)cc(C[N@@H+]2CC[C@@H](C3CC3)C2)c1[O-] ZINC000769515390 1303133581 /nfs/dbraw/zinc/13/35/81/1303133581.db2.gz PQOABBXOTKJQTH-LLVKDONJSA-N 0 3 326.234 3.395 20 10 EGCDHN COc1cc(Br)cc(C[N@H+]2CC[C@@H](C3CC3)C2)c1[O-] ZINC000769515390 1303133583 /nfs/dbraw/zinc/13/35/83/1303133583.db2.gz PQOABBXOTKJQTH-LLVKDONJSA-N 0 3 326.234 3.395 20 10 EGCDHN CCc1cnccc1[C@H](C)NCc1ccc(N2CCOCC2)cc1 ZINC000773427470 1303679375 /nfs/dbraw/zinc/67/93/75/1303679375.db2.gz MPJPBVXHQJMMIA-INIZCTEOSA-N 0 3 325.456 3.331 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]C[C@H](O)c2ccc(F)cc2)c1[O-] ZINC000775168071 1303917948 /nfs/dbraw/zinc/91/79/48/1303917948.db2.gz KVHDJWRMYWXVHU-AWEZNQCLSA-N 0 3 325.767 3.017 20 10 EGCDHN COc1ccc(O)c([C@@H](C)N[C@@H](C)C(=O)Nc2cccc(C)c2)c1 ZINC000775371416 1303948878 /nfs/dbraw/zinc/94/88/78/1303948878.db2.gz XSIUPLSRCPUTJB-KGLIPLIRSA-N 0 3 328.412 3.387 20 10 EGCDHN COc1ccc(C)cc1CN1CCN(Cc2cccc(C)c2O)CC1 ZINC000775647264 1304002950 /nfs/dbraw/zinc/00/29/50/1304002950.db2.gz QRYQRIJBSPQPND-UHFFFAOYSA-N 0 3 340.467 3.335 20 10 EGCDHN CC[NH+](CC)CCO[C@@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775725755 1304021916 /nfs/dbraw/zinc/02/19/16/1304021916.db2.gz MSWFRRIPIWILFF-OAHLLOKOSA-N 0 3 344.858 3.117 20 10 EGCDHN C[C@H](NCC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)c1ccc(N(C)C)cc1 ZINC000775838382 1304047919 /nfs/dbraw/zinc/04/79/19/1304047919.db2.gz XYGQVIHZMFPLLQ-OAFZBRQQSA-N 0 3 331.504 3.344 20 10 EGCDHN O=c1cc2c(n[nH]1)CC[N@@H+](Cc1cc(-c3ccccc3)ccc1[O-])C2 ZINC000775997718 1304077250 /nfs/dbraw/zinc/07/72/50/1304077250.db2.gz YDCRETFDYNHUOG-UHFFFAOYSA-N 0 3 333.391 3.113 20 10 EGCDHN O=c1cc2c(n[nH]1)CC[N@H+](Cc1cc(-c3ccccc3)ccc1[O-])C2 ZINC000775997718 1304077251 /nfs/dbraw/zinc/07/72/51/1304077251.db2.gz YDCRETFDYNHUOG-UHFFFAOYSA-N 0 3 333.391 3.113 20 10 EGCDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2OC)[C@@H]1Oc1ccccc1 ZINC000776007173 1304078496 /nfs/dbraw/zinc/07/84/96/1304078496.db2.gz MDYAJZYZYRUHFN-AHRSYUTCSA-N 0 3 343.423 3.115 20 10 EGCDHN CCOc1ccc(C[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)c([O-])c1 ZINC000780580920 1304712120 /nfs/dbraw/zinc/71/21/20/1304712120.db2.gz RAKAHPXZLREBRY-XJKSGUPXSA-N 0 3 347.377 3.364 20 10 EGCDHN CSCCCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891253045 1305000782 /nfs/dbraw/zinc/00/07/82/1305000782.db2.gz PNKOOLWTOVMTOC-QGZVFWFLSA-N 0 3 337.533 3.005 20 10 EGCDHN COc1cc(C)cc(CN2CCC[C@@H](Oc3ncccc3F)C2)c1O ZINC000782841845 1305015622 /nfs/dbraw/zinc/01/56/22/1305015622.db2.gz HBQRIDAIZSVUTA-OAHLLOKOSA-N 0 3 346.402 3.287 20 10 EGCDHN C[C@@H]([NH2+]C[C@H](c1cccs1)N1CCN(C)CC1)c1ccccc1[O-] ZINC000783489378 1305097803 /nfs/dbraw/zinc/09/78/03/1305097803.db2.gz COPXQJUQFWZYJK-NVXWUHKLSA-N 0 3 345.512 3.093 20 10 EGCDHN COc1cc2c(cc1CNCc1cc(C)cc(OC)c1O)O[C@@H](C)C2 ZINC000894168818 1306258941 /nfs/dbraw/zinc/25/89/41/1306258941.db2.gz UDNAYMRNFNTEJF-ZDUSSCGKSA-N 0 3 343.423 3.331 20 10 EGCDHN CCN(CC)c1ccc(CN2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)cc1 ZINC000790930575 1308890166 /nfs/dbraw/zinc/89/01/66/1308890166.db2.gz ALBKWGYWVGZTGN-QKLQHJQFSA-N 0 3 332.488 3.301 20 10 EGCDHN OCCN(Cc1ccc(Br)s1)Cc1ccccc1O ZINC000792196661 1309141643 /nfs/dbraw/zinc/14/16/43/1309141643.db2.gz SBYZOZDIZDMARW-UHFFFAOYSA-N 0 3 342.258 3.211 20 10 EGCDHN CN(C)c1ccc(CN2CCC[C@@H](CCO)C2)c(C(F)(F)F)c1 ZINC000792813699 1309235174 /nfs/dbraw/zinc/23/51/74/1309235174.db2.gz VHBCLQGVLQSJER-ZDUSSCGKSA-N 0 3 330.394 3.366 20 10 EGCDHN CCCN(CCN1CCCCC1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000796623457 1310048508 /nfs/dbraw/zinc/04/85/08/1310048508.db2.gz QNROBGAKALCLCT-UHFFFAOYSA-N 0 3 346.519 3.160 20 10 EGCDHN CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000796727888 1310074363 /nfs/dbraw/zinc/07/43/63/1310074363.db2.gz JGVJTOMIKKRSCZ-DAYGRLMNSA-N 0 3 338.467 3.461 20 10 EGCDHN CC(=O)c1ccc(NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)nc1 ZINC000897524879 1310363892 /nfs/dbraw/zinc/36/38/92/1310363892.db2.gz FXPIFIHZWZEFGE-SFHVURJKSA-N 0 3 326.444 3.065 20 10 EGCDHN C[C@H](N(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1(C)CC1 ZINC000899102595 1310936214 /nfs/dbraw/zinc/93/62/14/1310936214.db2.gz RBOPTBRCAZCZGB-YJBOKZPZSA-N 0 3 346.519 3.185 20 10 EGCDHN CCCN(C(=O)NCc1ccc(N(CC)CC)cc1)[C@@H]1CCN(C)C1 ZINC000825832288 1320365009 /nfs/dbraw/zinc/36/50/09/1320365009.db2.gz MAWQVKULTGOULR-LJQANCHMSA-N 0 3 346.519 3.159 20 10 EGCDHN CNc1ccc(C)cc1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000902621226 1317598936 /nfs/dbraw/zinc/59/89/36/1317598936.db2.gz AJWFRUSIZPDWHO-UHFFFAOYSA-N 0 3 339.483 3.288 20 10 EGCDHN C[C@@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)c1ccccc1[O-] ZINC000903480632 1317705829 /nfs/dbraw/zinc/70/58/29/1317705829.db2.gz YVISFCAEPOPRDR-MNOVXSKESA-N 0 3 336.233 3.017 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)c1[O-] ZINC000808706917 1317719238 /nfs/dbraw/zinc/71/92/38/1317719238.db2.gz BEUIQQHKTPEVPW-FPMFFAJLSA-N 0 3 345.892 3.360 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2COc3ccccc3[C@@H]2O)c1[O-] ZINC000808729480 1317724298 /nfs/dbraw/zinc/72/42/98/1317724298.db2.gz KQJIXFHFAPHNKY-POHZPAGDSA-N 0 3 333.815 3.499 20 10 EGCDHN COc1cccc([O-])c1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000809698827 1317868075 /nfs/dbraw/zinc/86/80/75/1317868075.db2.gz HBEKOEGLNAWMHV-NZSAHSFTSA-N 0 3 339.435 3.405 20 10 EGCDHN COc1cccc([O-])c1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000809698827 1317868081 /nfs/dbraw/zinc/86/80/81/1317868081.db2.gz HBEKOEGLNAWMHV-NZSAHSFTSA-N 0 3 339.435 3.405 20 10 EGCDHN COc1cccc([O-])c1C[N@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000809701714 1317868283 /nfs/dbraw/zinc/86/82/83/1317868283.db2.gz JDAPHLGEEJVSMX-UHFFFAOYSA-N 0 3 339.395 3.125 20 10 EGCDHN COc1cccc([O-])c1C[N@@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000809701714 1317868289 /nfs/dbraw/zinc/86/82/89/1317868289.db2.gz JDAPHLGEEJVSMX-UHFFFAOYSA-N 0 3 339.395 3.125 20 10 EGCDHN COc1ccc([C@H](C)NCc2ccc(N3CCOCC3)cc2)cc1O ZINC000810213487 1317977667 /nfs/dbraw/zinc/97/76/67/1317977667.db2.gz TXUCBGAUQIBKLR-HNNXBMFYSA-N 0 3 342.439 3.088 20 10 EGCDHN Cc1ccc(O)c([C@H](C)NCc2cc(C)nc(N3CCCC3)n2)c1 ZINC000813885638 1318651342 /nfs/dbraw/zinc/65/13/42/1318651342.db2.gz PLAFQDNFDNPBDT-HNNXBMFYSA-N 0 3 326.444 3.250 20 10 EGCDHN CC[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1ccc(C)cc1[O-] ZINC000858538693 1328791170 /nfs/dbraw/zinc/79/11/70/1328791170.db2.gz YFSJRTKXQJHAQN-FCEWJHQRSA-N 0 3 328.412 3.372 20 10 EGCDHN CCN(C)c1ccc(CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000815118700 1318897246 /nfs/dbraw/zinc/89/72/46/1318897246.db2.gz ZMFNJSVIEBTAFS-ZBFHGGJFSA-N 0 3 330.394 3.135 20 10 EGCDHN CC(C)NC(=O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815555197 1319015084 /nfs/dbraw/zinc/01/50/84/1319015084.db2.gz SKYUWYWURKRRFN-SFHVURJKSA-N 0 3 326.440 3.180 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c1[O-] ZINC000816656445 1319201002 /nfs/dbraw/zinc/20/10/02/1319201002.db2.gz RZVKPFQUHIPEPJ-KRWDZBQOSA-N 0 3 337.847 3.445 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c1[O-] ZINC000816656445 1319201010 /nfs/dbraw/zinc/20/10/10/1319201010.db2.gz RZVKPFQUHIPEPJ-KRWDZBQOSA-N 0 3 337.847 3.445 20 10 EGCDHN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)C[C@@H]1CCCN1C ZINC000817675803 1319422970 /nfs/dbraw/zinc/42/29/70/1319422970.db2.gz BMUWJHALYARFST-HNNXBMFYSA-N 0 3 331.485 3.322 20 10 EGCDHN CCC(N)(CC)C[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000817960938 1319477993 /nfs/dbraw/zinc/47/79/93/1319477993.db2.gz UQYPMCOFATVXOX-VIFPVBQESA-N 0 3 333.245 3.462 20 10 EGCDHN COC[C@@]1(CN[C@H](C)c2cc(Cl)c(Cl)cc2[O-])CCC[NH2+]1 ZINC000817975480 1319482607 /nfs/dbraw/zinc/48/26/07/1319482607.db2.gz VKCNIKMMAMAAPS-BMIGLBTASA-N 0 3 333.259 3.118 20 10 EGCDHN COc1ccc(N2CC[C@@H](CNCc3nc4c(s3)CCC4)C2)cc1 ZINC000818220714 1319521593 /nfs/dbraw/zinc/52/15/93/1319521593.db2.gz JEHNEZWZPSMZEN-AWEZNQCLSA-N 0 3 343.496 3.257 20 10 EGCDHN Cc1ccc(C)n1-c1ccsc1C(=O)NCCN1CCCCC1 ZINC000917516454 1319824328 /nfs/dbraw/zinc/82/43/28/1319824328.db2.gz FFCJZYSCJNJFND-UHFFFAOYSA-N 0 3 331.485 3.371 20 10 EGCDHN C[C@@H](C[N@H+](C)Cc1ccccc1[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000823408744 1320177248 /nfs/dbraw/zinc/17/72/48/1320177248.db2.gz PWLJPGVYABWAEN-AWEZNQCLSA-N 0 3 333.453 3.031 20 10 EGCDHN C[C@@H](C[N@@H+](C)Cc1ccccc1[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000823408744 1320177250 /nfs/dbraw/zinc/17/72/50/1320177250.db2.gz PWLJPGVYABWAEN-AWEZNQCLSA-N 0 3 333.453 3.031 20 10 EGCDHN [O-]c1ccc2ccccc2c1C[NH+]1CCN(c2ccnc(F)c2)CC1 ZINC000824805281 1320286359 /nfs/dbraw/zinc/28/63/59/1320286359.db2.gz HPAGYMUUAAAULQ-UHFFFAOYSA-N 0 3 337.398 3.402 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C[C@H](O)C1CCC1 ZINC000825240955 1320320279 /nfs/dbraw/zinc/32/02/79/1320320279.db2.gz RSUJJJNWEPGGPX-FQEVSTJZSA-N 0 3 327.424 3.222 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCN(C(C)(C)C)C2)c1[O-] ZINC000826867124 1320410639 /nfs/dbraw/zinc/41/06/39/1320410639.db2.gz HIYWPDCLTKQJRP-CQSZACIVSA-N 0 3 341.293 3.426 20 10 EGCDHN CCC(=O)N1CCCN(Cc2ccc(N3CCCCC3)c(C)c2)CC1 ZINC000827473854 1320455627 /nfs/dbraw/zinc/45/56/27/1320455627.db2.gz XUBWHZUSBHCVEZ-UHFFFAOYSA-N 0 3 343.515 3.430 20 10 EGCDHN Cc1cc(C)c([C@H](C)[NH2+]CC(C)(C)[C@H]2COCC23OCCO3)c([O-])c1 ZINC000840795862 1321150310 /nfs/dbraw/zinc/15/03/10/1321150310.db2.gz BXXKURFMDIEYEO-DOTOQJQBSA-N 0 3 349.471 3.075 20 10 EGCDHN CCN1CCN(c2ccc(CNCc3ccoc3C)cc2F)CC1 ZINC000840894515 1321171945 /nfs/dbraw/zinc/17/19/45/1321171945.db2.gz AQSGYKVFTQUPNW-UHFFFAOYSA-N 0 3 331.435 3.159 20 10 EGCDHN C[C@H]1[C@H](CO)CCCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000840976565 1321192349 /nfs/dbraw/zinc/19/23/49/1321192349.db2.gz DKPMSUSOYKZHHA-RDJZCZTQSA-N 0 3 347.459 3.178 20 10 EGCDHN CC1(C)C[C@@H]([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CO1 ZINC000841863253 1321324478 /nfs/dbraw/zinc/32/44/78/1321324478.db2.gz KGGFCTXWGBBYLR-JKSUJKDBSA-N 0 3 338.879 3.167 20 10 EGCDHN CC(C)(C)N1CC[C@H](NCc2ccc(N3CCCCC3)cc2)C1=O ZINC000842720810 1321423591 /nfs/dbraw/zinc/42/35/91/1321423591.db2.gz MLWADPWFJHFBDO-SFHVURJKSA-N 0 3 329.488 3.166 20 10 EGCDHN CC[C@@H]1CN(Cc2cc(C)cc(Br)c2[O-])CC[C@H]1[NH3+] ZINC000843051939 1321461703 /nfs/dbraw/zinc/46/17/03/1321461703.db2.gz JDXSOUNFYQQZQU-BXUZGUMPSA-N 0 3 327.266 3.022 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c1[O-] ZINC000843417433 1321514171 /nfs/dbraw/zinc/51/41/71/1321514171.db2.gz UFCQLZLKKHLLDK-IUODEOHRSA-N 0 3 325.836 3.445 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c1[O-] ZINC000843417433 1321514175 /nfs/dbraw/zinc/51/41/75/1321514175.db2.gz UFCQLZLKKHLLDK-IUODEOHRSA-N 0 3 325.836 3.445 20 10 EGCDHN COc1cccc([C@H](C)NCc2ccc(OC)c(OC)c2OC)c1O ZINC000846142247 1321770577 /nfs/dbraw/zinc/77/05/77/1321770577.db2.gz YQRABFCSKNWAEA-LBPRGKRZSA-N 0 3 347.411 3.277 20 10 EGCDHN C[C@H](O)C[N@H+](Cc1ccc(OCc2ccccc2)cc1[O-])C1CC1 ZINC000848928659 1322049206 /nfs/dbraw/zinc/04/92/06/1322049206.db2.gz JUVRWHDMWPRRFJ-HNNXBMFYSA-N 0 3 327.424 3.316 20 10 EGCDHN C[C@H](O)C[N@@H+](Cc1ccc(OCc2ccccc2)cc1[O-])C1CC1 ZINC000848928659 1322049209 /nfs/dbraw/zinc/04/92/09/1322049209.db2.gz JUVRWHDMWPRRFJ-HNNXBMFYSA-N 0 3 327.424 3.316 20 10 EGCDHN COc1cc(CNCc2ccccc2CO)c(O)c(C(C)(C)C)c1 ZINC000850073390 1322189531 /nfs/dbraw/zinc/18/95/31/1322189531.db2.gz INIHLPJOHUJYTG-UHFFFAOYSA-N 0 3 329.440 3.480 20 10 EGCDHN CCn1cccc(CNCc2cc(OC)cc(C(C)(C)C)c2O)c1=O ZINC000850280936 1322221901 /nfs/dbraw/zinc/22/19/01/1322221901.db2.gz MICNLENEMLTIFQ-UHFFFAOYSA-N 0 3 344.455 3.170 20 10 EGCDHN Cc1cncc([C@H](C)NCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000850568179 1322269402 /nfs/dbraw/zinc/26/94/02/1322269402.db2.gz RAKSVDKQPFLMLK-INIZCTEOSA-N 0 3 325.456 3.202 20 10 EGCDHN COc1ccc([C@@H](CCO)NCc2ccc3c(c2)CCCO3)cc1 ZINC000921942628 1322427003 /nfs/dbraw/zinc/42/70/03/1322427003.db2.gz VJFXMTMRNIRPRV-LJQANCHMSA-N 0 3 327.424 3.234 20 10 EGCDHN COc1cc(CNCc2cc(N(C)C)ccn2)c(O)c(C(C)(C)C)c1 ZINC000922477715 1322537719 /nfs/dbraw/zinc/53/77/19/1322537719.db2.gz AADWHPYGFMXOKO-UHFFFAOYSA-N 0 3 343.471 3.449 20 10 EGCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CCO[C@@H]1CCOC1 ZINC000927081288 1327850502 /nfs/dbraw/zinc/85/05/02/1327850502.db2.gz OBYFXUNCVIXSGI-QUCCMNQESA-N 0 3 341.451 3.461 20 10 EGCDHN Cc1cc(CNC(=O)Cc2nc[nH]c2C)c(C)n1-c1cccc(C)c1 ZINC000863162141 1329531244 /nfs/dbraw/zinc/53/12/44/1329531244.db2.gz VGDZDGDDZYMXDN-UHFFFAOYSA-N 0 3 336.439 3.293 20 10 EGCDHN C[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])[C@@H](O)C(F)(F)F ZINC000865712281 1329731845 /nfs/dbraw/zinc/73/18/45/1329731845.db2.gz YUJMVSWEGSCADJ-MEDUHNTESA-N 0 3 325.330 3.461 20 10 EGCDHN C[C@H]([NH2+]Cc1ccnc(N2CCSCC2)c1)c1ccccc1[O-] ZINC000866472028 1330116443 /nfs/dbraw/zinc/11/64/43/1330116443.db2.gz HWXSGIBXLYUTJI-AWEZNQCLSA-N 0 3 329.469 3.191 20 10 EGCDHN COC(=O)CC[N@H+](Cc1ccccc1)Cc1c(C)cc(OC)cc1[O-] ZINC001183291198 1387291786 /nfs/dbraw/zinc/29/17/86/1387291786.db2.gz CSLAMBXNRPDJIW-UHFFFAOYSA-N 0 3 343.423 3.275 20 10 EGCDHN COC(=O)CC[N@@H+](Cc1ccccc1)Cc1c(C)cc(OC)cc1[O-] ZINC001183291198 1387291791 /nfs/dbraw/zinc/29/17/91/1387291791.db2.gz CSLAMBXNRPDJIW-UHFFFAOYSA-N 0 3 343.423 3.275 20 10 EGCDHN CSCCCN1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001201700269 1369607922 /nfs/dbraw/zinc/60/79/22/1369607922.db2.gz HNQJOBFVGAXNPU-UHFFFAOYSA-N 0 3 334.407 3.460 20 10 EGCDHN O=C1C[C@]2(CC[N@@H+](Cc3ccccc3[O-])C2)CN1c1ccc(F)cc1 ZINC001203551686 1370167204 /nfs/dbraw/zinc/16/72/04/1370167204.db2.gz KKTJNFJYNJLAIU-FQEVSTJZSA-N 0 3 340.398 3.160 20 10 EGCDHN O=C1C[C@]2(CC[N@H+](Cc3ccccc3[O-])C2)CN1c1ccc(F)cc1 ZINC001203551686 1370167207 /nfs/dbraw/zinc/16/72/07/1370167207.db2.gz KKTJNFJYNJLAIU-FQEVSTJZSA-N 0 3 340.398 3.160 20 10 EGCDHN CCOc1cccc(CN2CC3(CN(Cc4ccccc4)C3)C2)c1O ZINC001203614321 1370187966 /nfs/dbraw/zinc/18/79/66/1370187966.db2.gz WSAXAPUJSUTCQI-UHFFFAOYSA-N 0 3 338.451 3.109 20 10 EGCDHN COc1ccc(CN2CCN(Cc3ccc(C)cc3)CC2)c(O)c1 ZINC001203629480 1370192789 /nfs/dbraw/zinc/19/27/89/1370192789.db2.gz MFUYCXZCAGMFEL-UHFFFAOYSA-N 0 3 326.440 3.027 20 10 EGCDHN COc1ccc(C[NH+]2CCC(Oc3ccccc3OC)CC2)c([O-])c1 ZINC001203628999 1370193412 /nfs/dbraw/zinc/19/34/12/1370193412.db2.gz NBLQQOYFMFQRJI-UHFFFAOYSA-N 0 3 343.423 3.453 20 10 EGCDHN COc1ccc(C[N@@H+]2CCC[C@@H](Oc3cccc(C)n3)C2)c([O-])c1 ZINC001203635016 1370195242 /nfs/dbraw/zinc/19/52/42/1370195242.db2.gz GDHYIIOTWUFIOJ-QGZVFWFLSA-N 0 3 328.412 3.148 20 10 EGCDHN COc1ccc(C[N@H+]2CCC[C@@H](Oc3cccc(C)n3)C2)c([O-])c1 ZINC001203635016 1370195249 /nfs/dbraw/zinc/19/52/49/1370195249.db2.gz GDHYIIOTWUFIOJ-QGZVFWFLSA-N 0 3 328.412 3.148 20 10 EGCDHN [O-]c1ccc(Cl)cc1C[N@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001203655897 1370203788 /nfs/dbraw/zinc/20/37/88/1370203788.db2.gz DPPJDYVKBYOCIM-IYBDPMFKSA-N 0 3 343.858 3.004 20 10 EGCDHN [O-]c1ccc(Cl)cc1C[N@@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001203655897 1370203796 /nfs/dbraw/zinc/20/37/96/1370203796.db2.gz DPPJDYVKBYOCIM-IYBDPMFKSA-N 0 3 343.858 3.004 20 10 EGCDHN COC(=O)N1CCCN(Cc2ccc(N(C)C)c3ccccc23)CC1 ZINC001204236394 1370418122 /nfs/dbraw/zinc/41/81/22/1370418122.db2.gz VIOTXQLFFYNPOA-UHFFFAOYSA-N 0 3 341.455 3.180 20 10 EGCDHN C[C@H]1CN(Cc2ccc(N3CCCC3)cc2)CC[C@@]1(O)C(F)(F)F ZINC001204325861 1370444674 /nfs/dbraw/zinc/44/46/74/1370444674.db2.gz WBKPXMQKIHDYKJ-YOEHRIQHSA-N 0 3 342.405 3.422 20 10 EGCDHN Cc1cc([O-])c(CN2C[C@@H](C)CC[C@H]2C[NH3+])cc1Br ZINC001205855959 1370894037 /nfs/dbraw/zinc/89/40/37/1370894037.db2.gz RGDWOBXHDPYHHQ-GWCFXTLKSA-N 0 3 327.266 3.022 20 10 EGCDHN CCOc1ccc(N2CCN(CCc3cccc(OC)c3)CC2)cc1 ZINC001207434112 1371395164 /nfs/dbraw/zinc/39/51/64/1371395164.db2.gz DRAIQLCLCOHWLB-UHFFFAOYSA-N 0 3 340.467 3.459 20 10 EGCDHN COc1cc([O-])c(CN2CC[NH2+]C[C@@H]2c2ccccc2)cc1Cl ZINC001210227338 1372299606 /nfs/dbraw/zinc/29/96/06/1372299606.db2.gz NGFWHFOTZUMXJL-MRXNPFEDSA-N 0 3 332.831 3.201 20 10 EGCDHN COc1cc([O-])c(CN2CC[NH2+][C@H](Cc3ccccc3)C2)c(Cl)c1 ZINC001210381409 1372338548 /nfs/dbraw/zinc/33/85/48/1372338548.db2.gz AIGHBNUJJDLVHE-OAHLLOKOSA-N 0 3 346.858 3.071 20 10 EGCDHN CO[C@@H]1CCN(CCOC2=CC(=O)C=CC2=NNc2ccccn2)C1 ZINC001227491795 1375437655 /nfs/dbraw/zinc/43/76/55/1375437655.db2.gz INWPIBHJDZCBPK-WGLILOHCSA-N 0 3 342.399 3.302 20 10 EGCDHN Cc1cc(C)c(CN2CCn3c(CN(C)C(C)C)cnc3C2)c(O)c1 ZINC001231845238 1376325530 /nfs/dbraw/zinc/32/55/30/1376325530.db2.gz XQHNHYLMJHLAHS-UHFFFAOYSA-N 0 3 342.487 3.062 20 10 EGCDHN COc1cc(Cl)cc(CN2CC[C@H](Oc3ncccc3C)C2)c1O ZINC001233291013 1376605438 /nfs/dbraw/zinc/60/54/38/1376605438.db2.gz HOWXDRUUPLXMJS-HNNXBMFYSA-N 0 3 348.830 3.411 20 10 EGCDHN O=C1CCC2(CC[NH+](Cc3cc(C(F)(F)F)ccc3[O-])CC2)O1 ZINC001237140445 1376975715 /nfs/dbraw/zinc/97/57/15/1376975715.db2.gz LWOITPBTEUVMSB-UHFFFAOYSA-N 0 3 329.318 3.083 20 10 EGCDHN Cc1cc(CN2CCC3(C[C@H](O)CO3)CC2)c(C)n1-c1ccccc1 ZINC001137855903 1377631727 /nfs/dbraw/zinc/63/17/27/1377631727.db2.gz JLHOUAODVJXVAO-FQEVSTJZSA-N 0 3 340.467 3.210 20 10 EGCDHN CN(CCNC(=O)OC(C)(C)C)Cc1ccc2c(c1)CCCN2C ZINC001138354571 1377708791 /nfs/dbraw/zinc/70/87/91/1377708791.db2.gz NSPRZRGSNNHTIE-UHFFFAOYSA-N 0 3 333.476 3.026 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC3(CCC(=O)O3)CC2)c(OC)c1 ZINC001138388935 1377714176 /nfs/dbraw/zinc/71/41/76/1377714176.db2.gz BKVWHXXCQRSVKR-UHFFFAOYSA-N 0 3 346.471 3.213 20 10 EGCDHN Cc1cc(CN2CC[C@@H](F)[C@](O)(C(F)(F)F)CC2)ccc1N(C)C ZINC001139669978 1377930325 /nfs/dbraw/zinc/93/03/25/1377930325.db2.gz STRSZUOENBXRDI-CVEARBPZSA-N 0 3 348.384 3.288 20 10 EGCDHN O=C1CC2(CC[NH+](Cc3cc(F)ccc3[O-])CC2)c2ccccc2N1 ZINC001140055651 1377996809 /nfs/dbraw/zinc/99/68/09/1377996809.db2.gz NZDSOTPXTHFADL-UHFFFAOYSA-N 0 3 340.398 3.407 20 10 EGCDHN COC(=O)[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])[C@H]1c1ccccc1 ZINC001140062858 1377998895 /nfs/dbraw/zinc/99/88/95/1377998895.db2.gz GUBPCCGFDGZLRT-AEFFLSMTSA-N 0 3 329.371 3.268 20 10 EGCDHN COC(=O)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])[C@H]1c1ccccc1 ZINC001140062858 1377998900 /nfs/dbraw/zinc/99/89/00/1377998900.db2.gz GUBPCCGFDGZLRT-AEFFLSMTSA-N 0 3 329.371 3.268 20 10 EGCDHN CCOC[C@H]1CN(Cc2c(C)ccc(C)c2O)Cc2cnn(CC)c21 ZINC001140180224 1378026272 /nfs/dbraw/zinc/02/62/72/1378026272.db2.gz LIHJVJIFDRUKOA-QGZVFWFLSA-N 0 3 343.471 3.361 20 10 EGCDHN CCN(Cc1ccc(N2CCC(O)CC2)cc1)Cc1cccnc1 ZINC001140285343 1378041197 /nfs/dbraw/zinc/04/11/97/1378041197.db2.gz JSECAVYUKLBEQV-UHFFFAOYSA-N 0 3 325.456 3.065 20 10 EGCDHN Cc1ccc(N2CCN(Cc3ccc(O)c(C)c3O)CC2)c(C)c1 ZINC001140749331 1378129118 /nfs/dbraw/zinc/12/91/18/1378129118.db2.gz VUQWVWASCUGMPV-UHFFFAOYSA-N 0 3 326.440 3.345 20 10 EGCDHN Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3c2ccccc2)c([O-])c1 ZINC001140950444 1378190337 /nfs/dbraw/zinc/19/03/37/1378190337.db2.gz UIMNNEYYMRVASR-RTBURBONSA-N 0 3 336.435 3.471 20 10 EGCDHN Cc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3c2ccccc2)c([O-])c1 ZINC001140950444 1378190340 /nfs/dbraw/zinc/19/03/40/1378190340.db2.gz UIMNNEYYMRVASR-RTBURBONSA-N 0 3 336.435 3.471 20 10 EGCDHN COc1cc(O)c(CN2CCC[C@H]2c2ccc(C)nc2)c(OC)c1 ZINC001141029118 1378213043 /nfs/dbraw/zinc/21/30/43/1378213043.db2.gz JESPNNAXZIYBTO-KRWDZBQOSA-N 0 3 328.412 3.450 20 10 EGCDHN CN1CCOc2cc(CN3CC[C@@H](Oc4cccc(F)c4)C3)ccc21 ZINC001141146120 1378248507 /nfs/dbraw/zinc/24/85/07/1378248507.db2.gz LHHXIODTTJKWCQ-GOSISDBHSA-N 0 3 342.414 3.308 20 10 EGCDHN CCOC(=O)[C@@H]1CCN(Cc2cccc(C(C)(C)C)c2O)CCC1=O ZINC001143110803 1378542031 /nfs/dbraw/zinc/54/20/31/1378542031.db2.gz PQEVTMLDCYHCBG-OAHLLOKOSA-N 0 3 347.455 3.034 20 10 EGCDHN COC(=O)c1ccc2[nH]cc(C[N@@H+]3CCc4cccc([O-])c4C3)c2c1 ZINC001143239307 1378568392 /nfs/dbraw/zinc/56/83/92/1378568392.db2.gz OYGCFXDWPYDJLB-UHFFFAOYSA-N 0 3 336.391 3.218 20 10 EGCDHN COC(=O)c1ccc2[nH]cc(C[N@H+]3CCc4cccc([O-])c4C3)c2c1 ZINC001143239307 1378568394 /nfs/dbraw/zinc/56/83/94/1378568394.db2.gz OYGCFXDWPYDJLB-UHFFFAOYSA-N 0 3 336.391 3.218 20 10 EGCDHN COc1ccc([C@@H]2C[C@@H]([NH2+]Cc3ccc(O)cc3[O-])CCO2)cc1 ZINC001168598196 1383945046 /nfs/dbraw/zinc/94/50/46/1383945046.db2.gz DGZNQKKNGRSREX-KXBFYZLASA-N 0 3 329.396 3.116 20 10 EGCDHN COc1ccc([C@@H]2C[C@H]([NH2+]Cc3cccc(O)c3[O-])CCO2)cc1 ZINC001168608076 1383947816 /nfs/dbraw/zinc/94/78/16/1383947816.db2.gz KFZQMJSMHOPPHZ-QAPCUYQASA-N 0 3 329.396 3.116 20 10 EGCDHN COCC[C@@H](Cc1ccco1)NCc1cc(F)c(N(C)C)cc1F ZINC001329155993 1388994798 /nfs/dbraw/zinc/99/47/98/1388994798.db2.gz KQXVTXLEUXAZGO-AWEZNQCLSA-N 0 3 338.398 3.361 20 10 EGCDHN CN(Cc1ccccc1)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001319513142 1386154722 /nfs/dbraw/zinc/15/47/22/1386154722.db2.gz NECJSAFNIWGSAC-UHFFFAOYSA-N 0 3 327.447 3.210 20 10 EGCDHN COc1cccc(N2CCC([NH2+]Cc3ccc(C)cc3[O-])CC2)c1 ZINC001330627703 1389476139 /nfs/dbraw/zinc/47/61/39/1389476139.db2.gz XIZHVSGUFYWVPG-UHFFFAOYSA-N 0 3 326.440 3.468 20 10 EGCDHN COc1ccc(CN(C)Cc2cc(C(C)(C)C)[nH]n2)c(O)c1OC ZINC001333808618 1390411929 /nfs/dbraw/zinc/41/19/29/1390411929.db2.gz NHDVGASRXBRUPJ-UHFFFAOYSA-N 0 3 333.432 3.062 20 10 EGCDHN COc1ccc(CNC/C=C\CNC(=O)[C@@H](C)C2CCC2)cc1C ZINC001754135259 1440543737 /nfs/dbraw/zinc/54/37/37/1440543737.db2.gz JPFBINGMXCJPSO-AWFCHZOYSA-N 0 3 330.472 3.202 20 10 EGCDHN C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824618644 946868915 /nfs/dbraw/zinc/86/89/15/946868915.db2.gz QKNBYKTYBMLPHV-AWEZNQCLSA-N 0 3 348.454 3.100 20 10 EGCDHN Cc1nccn1CCC[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000273363786 456224918 /nfs/dbraw/zinc/22/49/18/456224918.db2.gz DPQGBLHVCSETTH-LLVKDONJSA-N 0 3 338.249 3.401 20 10 EGCDHN C[C@H]([NH2+]C[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccccc1[O-] ZINC000183381373 455285147 /nfs/dbraw/zinc/28/51/47/455285147.db2.gz RXKPZWCIQGAPGP-HNAYVOBHSA-N 0 3 344.430 3.255 20 10 EGCDHN C[C@H]([NH2+][C@@H]1CC(=O)N(c2c(F)cccc2F)C1)c1ccccc1[O-] ZINC000183589876 455308914 /nfs/dbraw/zinc/30/89/14/455308914.db2.gz DDURDESRZQLRNG-NWDGAFQWSA-N 0 3 332.350 3.127 20 10 EGCDHN [O-]c1ccc2ccccc2c1C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000089651931 454173965 /nfs/dbraw/zinc/17/39/65/454173965.db2.gz YBNUJMGDDQUMOO-UHFFFAOYSA-N 0 3 325.330 3.435 20 10 EGCDHN Cc1cc(O)c(CNCc2ccnc(OC3CCOCC3)c2)cc1C ZINC000266190164 455424640 /nfs/dbraw/zinc/42/46/40/455424640.db2.gz IHSLBJGRGUZRFQ-UHFFFAOYSA-N 0 3 342.439 3.252 20 10 EGCDHN Oc1cc2c(cc1CN(Cc1cccs1)C[C@@H]1CCCO1)OCO2 ZINC000119607038 454207843 /nfs/dbraw/zinc/20/78/43/454207843.db2.gz KVLPYQPVEVQNPS-AWEZNQCLSA-N 0 3 347.436 3.364 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1)OCO2 ZINC000091891491 454484066 /nfs/dbraw/zinc/48/40/66/454484066.db2.gz MBQVIYZICUHCSU-HIFRSBDPSA-N 0 3 347.436 3.271 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1)OCO2 ZINC000091891491 454484069 /nfs/dbraw/zinc/48/40/69/454484069.db2.gz MBQVIYZICUHCSU-HIFRSBDPSA-N 0 3 347.436 3.271 20 10 EGCDHN CCOc1cccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c1[O-] ZINC000091958275 454494268 /nfs/dbraw/zinc/49/42/68/454494268.db2.gz PLLXPLAVLZKWKE-HOTGVXAUSA-N 0 3 331.412 3.472 20 10 EGCDHN CCOc1cccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c1[O-] ZINC000091958275 454494275 /nfs/dbraw/zinc/49/42/75/454494275.db2.gz PLLXPLAVLZKWKE-HOTGVXAUSA-N 0 3 331.412 3.472 20 10 EGCDHN Cc1ccc([O-])c(C[N@@H+](C)C2CCN(CCc3ccccn3)CC2)c1 ZINC000092645332 454599531 /nfs/dbraw/zinc/59/95/31/454599531.db2.gz IPVYMLMJNNTTBO-UHFFFAOYSA-N 0 3 339.483 3.235 20 10 EGCDHN Cc1ccc([O-])c(C[N@H+](C)C2CCN(CCc3ccccn3)CC2)c1 ZINC000092645332 454599535 /nfs/dbraw/zinc/59/95/35/454599535.db2.gz IPVYMLMJNNTTBO-UHFFFAOYSA-N 0 3 339.483 3.235 20 10 EGCDHN CCCOc1ccc(CN2CCC[C@@H](NC(=O)CCC)C2)c(O)c1 ZINC000092708538 454615132 /nfs/dbraw/zinc/61/51/32/454615132.db2.gz LFULHDLTAMCISP-MRXNPFEDSA-N 0 3 334.460 3.062 20 10 EGCDHN COc1ccccc1[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000153528212 454803347 /nfs/dbraw/zinc/80/33/47/454803347.db2.gz YGNCTNVASHPXOC-CYBMUJFWSA-N 0 3 327.380 3.119 20 10 EGCDHN COc1ccccc1[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000153528212 454803350 /nfs/dbraw/zinc/80/33/50/454803350.db2.gz YGNCTNVASHPXOC-CYBMUJFWSA-N 0 3 327.380 3.119 20 10 EGCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000109769137 454835313 /nfs/dbraw/zinc/83/53/13/454835313.db2.gz ACPPZOURABCEMN-HNNXBMFYSA-N 0 3 334.460 3.471 20 10 EGCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000109769137 454835317 /nfs/dbraw/zinc/83/53/17/454835317.db2.gz ACPPZOURABCEMN-HNNXBMFYSA-N 0 3 334.460 3.471 20 10 EGCDHN Cc1ccc([C@@H](C)NCC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000182324570 455489087 /nfs/dbraw/zinc/48/90/87/455489087.db2.gz PJLQVYRVODIZEL-MRXNPFEDSA-N 0 3 325.456 3.028 20 10 EGCDHN CCN1CCN(c2ccc(CN[C@@H](C)c3ccco3)cc2F)CC1 ZINC000155295241 454984171 /nfs/dbraw/zinc/98/41/71/454984171.db2.gz YZOSRVGFMCUGPG-HNNXBMFYSA-N 0 3 331.435 3.411 20 10 EGCDHN Cc1cccc(CN2CCCN(C(=O)c3ccccc3F)CC2)c1O ZINC000179674568 455066018 /nfs/dbraw/zinc/06/60/18/455066018.db2.gz KAANHEXMZMKWLF-UHFFFAOYSA-N 0 3 342.414 3.188 20 10 EGCDHN Cc1cccc(C[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)c1[O-] ZINC000179848106 455088017 /nfs/dbraw/zinc/08/80/17/455088017.db2.gz BNVAXHRMOPVCJO-UHFFFAOYSA-N 0 3 339.439 3.487 20 10 EGCDHN Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cc(F)ccc3[O-])C2)nc1 ZINC000179938199 455102470 /nfs/dbraw/zinc/10/24/70/455102470.db2.gz JRFIYJIOQHZUAT-CQSZACIVSA-N 0 3 343.402 3.085 20 10 EGCDHN Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)nc1 ZINC000179938199 455102475 /nfs/dbraw/zinc/10/24/75/455102475.db2.gz JRFIYJIOQHZUAT-CQSZACIVSA-N 0 3 343.402 3.085 20 10 EGCDHN C[C@@H]([NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccccc1[O-] ZINC000183446040 455293774 /nfs/dbraw/zinc/29/37/74/455293774.db2.gz WXOCVBGHQOLNHX-KUHUBIRLSA-N 0 3 340.423 3.361 20 10 EGCDHN C[C@@H](N[C@@H](C)c1cccnc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000158496599 455308764 /nfs/dbraw/zinc/30/87/64/455308764.db2.gz KNKJPCAMSQUWKA-CABCVRRESA-N 0 3 329.419 3.469 20 10 EGCDHN CCN1CCN(c2cccc(NC(=O)c3ccccc3OC)c2)CC1 ZINC000184284475 455367956 /nfs/dbraw/zinc/36/79/56/455367956.db2.gz BWTQVVLRWWBNJM-UHFFFAOYSA-N 0 3 339.439 3.089 20 10 EGCDHN Cc1ccc([C@H](C[NH2+]Cc2cc(C)c(C)cc2[O-])N2CCOCC2)o1 ZINC000174251809 455373743 /nfs/dbraw/zinc/37/37/43/455373743.db2.gz UWYCEHPSAGAXEC-SFHVURJKSA-N 0 3 344.455 3.074 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)c1[O-] ZINC000184744833 455440346 /nfs/dbraw/zinc/44/03/46/455440346.db2.gz FLTOMFYEKATBJA-ZDUSSCGKSA-N 0 3 341.835 3.029 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H](C3(C)OCCO3)C2)c1[O-] ZINC000184744833 455440349 /nfs/dbraw/zinc/44/03/49/455440349.db2.gz FLTOMFYEKATBJA-ZDUSSCGKSA-N 0 3 341.835 3.029 20 10 EGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CCOCC2)c1 ZINC000184852731 455459845 /nfs/dbraw/zinc/45/98/45/455459845.db2.gz DAYJNMZGALCGBT-WBVHZDCISA-N 0 3 346.496 3.486 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)c3ccco3)CC2)c([O-])c1 ZINC000184967252 455479205 /nfs/dbraw/zinc/47/92/05/455479205.db2.gz MRAIPPXWCIRKIS-CQSZACIVSA-N 0 3 328.412 3.249 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C2CCN(Cc3ccncc3)CC2)c1 ZINC000185068851 455495865 /nfs/dbraw/zinc/49/58/65/455495865.db2.gz YHUSBZXCRYPHIT-HNNXBMFYSA-N 0 3 341.455 3.111 20 10 EGCDHN Cc1cccc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCCO2)c1[O-] ZINC000192027381 455545002 /nfs/dbraw/zinc/54/50/02/455545002.db2.gz PCKXPAJXASWHJF-FQEVSTJZSA-N 0 3 340.467 3.081 20 10 EGCDHN COc1cc(OC)cc([C@@H](O)C[NH2+][C@@H](C)c2ccc(C)cc2[O-])c1 ZINC000185487309 455564596 /nfs/dbraw/zinc/56/45/96/455564596.db2.gz BYSKGUBZNUBUEB-DJJJIMSYSA-N 0 3 331.412 3.102 20 10 EGCDHN C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1cc(Cl)ccc1[O-] ZINC000185491578 455566363 /nfs/dbraw/zinc/56/63/63/455566363.db2.gz GSJWMPRGGOWBJZ-KBPBESRZSA-N 0 3 338.879 3.197 20 10 EGCDHN C[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1cc(Cl)ccc1[O-] ZINC000185491598 455567198 /nfs/dbraw/zinc/56/71/98/455567198.db2.gz GSJWMPRGGOWBJZ-KGLIPLIRSA-N 0 3 338.879 3.197 20 10 EGCDHN CCc1cc(N2CCC([NH2+][C@@H](C)c3cc(F)ccc3[O-])CC2)ncn1 ZINC000185643185 455588602 /nfs/dbraw/zinc/58/86/02/455588602.db2.gz AMJDZPFAXMFCBM-ZDUSSCGKSA-N 0 3 344.434 3.203 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]CCCN2C(=O)COc3ccccc32)c([O-])c1 ZINC000186078919 455690026 /nfs/dbraw/zinc/69/00/26/455690026.db2.gz RVURXCGAGKBVKG-HNNXBMFYSA-N 0 3 340.423 3.167 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)c([O-])c1 ZINC000186127439 455699243 /nfs/dbraw/zinc/69/92/43/455699243.db2.gz BSMDCAHPHTUXNA-MNEFBYGVSA-N 0 3 332.488 3.119 20 10 EGCDHN CO[C@H](C)[C@H](C)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000268780002 455712976 /nfs/dbraw/zinc/71/29/76/455712976.db2.gz PHLCIACQUBSKJO-QWHCGFSZSA-N 0 3 346.393 3.055 20 10 EGCDHN COc1ccc(O)c(CN2CCC(c3noc(C(C)C)n3)CC2)c1 ZINC000271739382 455741092 /nfs/dbraw/zinc/74/10/92/455741092.db2.gz QDZLJMIINOVNNB-UHFFFAOYSA-N 0 3 331.416 3.287 20 10 EGCDHN COC[C@@H](NCc1cc2c(cc1O)OCO2)c1ccc(Cl)cc1 ZINC000193275333 455750354 /nfs/dbraw/zinc/75/03/54/455750354.db2.gz FBHKCABVTPZEDD-CQSZACIVSA-N 0 3 335.787 3.252 20 10 EGCDHN Cc1cc([O-])c(C[NH2+][C@H]2CCO[C@@H]2c2ccnn2C(C)C)cc1C ZINC000284882020 455756050 /nfs/dbraw/zinc/75/60/50/455756050.db2.gz ZJQZXNYYVRBBOT-LPHOPBHVSA-N 0 3 329.444 3.406 20 10 EGCDHN CCN(Cc1ccc2c(c1)OCO2)Cc1cc(OC)c(OC)cc1O ZINC000271835112 455780001 /nfs/dbraw/zinc/78/00/01/455780001.db2.gz RUMLMCQRUZUXAF-UHFFFAOYSA-N 0 3 345.395 3.160 20 10 EGCDHN CNC(=O)c1ccc(CN(C)Cc2ccc(N(C)C)c(C)c2)cc1 ZINC000293424036 455785732 /nfs/dbraw/zinc/78/57/32/455785732.db2.gz IXESFVPPFGDXSS-UHFFFAOYSA-N 0 3 325.456 3.053 20 10 EGCDHN Cc1cc(C)c([C@H](C)[NH2+]Cc2ccccc2Cn2cncn2)c([O-])c1 ZINC000293579442 455791425 /nfs/dbraw/zinc/79/14/25/455791425.db2.gz DUNFOTQKCXDKDQ-INIZCTEOSA-N 0 3 336.439 3.500 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]Cc2cccc(N3CCOCC3)c2)c([O-])c1 ZINC000293756786 455796167 /nfs/dbraw/zinc/79/61/67/455796167.db2.gz QWLYLBOGHXHRNW-MRXNPFEDSA-N 0 3 326.440 3.388 20 10 EGCDHN COc1ccc(O)c(CN[C@H](c2ccccc2)C2(CO)CCC2)c1 ZINC000293804488 455798543 /nfs/dbraw/zinc/79/85/43/455798543.db2.gz DNGQMSWYDZTRPF-LJQANCHMSA-N 0 3 327.424 3.394 20 10 EGCDHN COc1ccc([O-])c(C[NH2+][C@H](c2ccccc2)C2(CO)CCC2)c1 ZINC000293804488 455798545 /nfs/dbraw/zinc/79/85/45/455798545.db2.gz DNGQMSWYDZTRPF-LJQANCHMSA-N 0 3 327.424 3.394 20 10 EGCDHN C[C@H](C[S@@](C)=O)[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000294444895 455816203 /nfs/dbraw/zinc/81/62/03/455816203.db2.gz VJLXWBDXTPCHGV-KFCXZAFISA-N 0 3 331.481 3.423 20 10 EGCDHN C[C@H](C[S@@](C)=O)NCc1ccc(N(C)Cc2cccs2)cc1 ZINC000294669658 455823407 /nfs/dbraw/zinc/82/34/07/455823407.db2.gz ALRIYKSXQDNYQC-JLCFBVMHSA-N 0 3 336.526 3.241 20 10 EGCDHN Cc1[nH]cnc1CC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000278900991 455852519 /nfs/dbraw/zinc/85/25/19/455852519.db2.gz PQDGFYUTKXKWJT-UHFFFAOYSA-N 0 3 340.471 3.346 20 10 EGCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)CC2 ZINC000295775961 455859294 /nfs/dbraw/zinc/85/92/94/455859294.db2.gz AOCCQAYELULELS-RBUKOAKNSA-N 0 3 338.451 3.043 20 10 EGCDHN CC[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1ccc(C)cc1[O-] ZINC000279949815 455877953 /nfs/dbraw/zinc/87/79/53/455877953.db2.gz BQIBNZAHNIOVLU-GOSISDBHSA-N 0 3 326.440 3.400 20 10 EGCDHN C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000187194033 455879779 /nfs/dbraw/zinc/87/97/79/455879779.db2.gz GLXJMSIMINEQNZ-OAHLLOKOSA-N 0 3 346.471 3.215 20 10 EGCDHN C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000187194033 455879782 /nfs/dbraw/zinc/87/97/82/455879782.db2.gz GLXJMSIMINEQNZ-OAHLLOKOSA-N 0 3 346.471 3.215 20 10 EGCDHN CC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1ccc(C)cc1[O-] ZINC000280121838 455897134 /nfs/dbraw/zinc/89/71/34/455897134.db2.gz OIDNQFOIECHKNH-GOSISDBHSA-N 0 3 341.455 3.173 20 10 EGCDHN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccc2c(c1)OCC(=O)N2 ZINC000286001766 455958466 /nfs/dbraw/zinc/95/84/66/455958466.db2.gz ISCFXTOEDSKADF-GFCCVEGCSA-N 0 3 343.402 3.073 20 10 EGCDHN [O-]c1ccccc1C[N@H+](Cc1ccc(CO)cc1)C[C@H]1CCCO1 ZINC000272496842 455970072 /nfs/dbraw/zinc/97/00/72/455970072.db2.gz NKVDZUMVWFOPJU-LJQANCHMSA-N 0 3 327.424 3.066 20 10 EGCDHN [O-]c1ccccc1C[N@@H+](Cc1ccc(CO)cc1)C[C@H]1CCCO1 ZINC000272496842 455970074 /nfs/dbraw/zinc/97/00/74/455970074.db2.gz NKVDZUMVWFOPJU-LJQANCHMSA-N 0 3 327.424 3.066 20 10 EGCDHN C[C@@H]([NH2+]Cc1ccnc(OC2CCOCC2)c1)c1ccccc1[O-] ZINC000272841865 456088133 /nfs/dbraw/zinc/08/81/33/456088133.db2.gz JQJRIBVADJKYQS-CQSZACIVSA-N 0 3 328.412 3.196 20 10 EGCDHN C[C@H](NC(=O)N(C)Cc1ccccc1O)[C@@H](c1ccccc1)N(C)C ZINC000288150284 456088924 /nfs/dbraw/zinc/08/89/24/456088924.db2.gz NVJNQGQCJSSLAX-KXBFYZLASA-N 0 3 341.455 3.225 20 10 EGCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])c1cccc(S(=O)(=O)N(C)C)c1 ZINC000272868730 456095017 /nfs/dbraw/zinc/09/50/17/456095017.db2.gz OGMFDQYTRMNDGT-KGLIPLIRSA-N 0 3 348.468 3.054 20 10 EGCDHN CCN(Cc1ccc(OC)c(OC)c1)Cc1cc2c(cc1O)OCO2 ZINC000271026716 456102523 /nfs/dbraw/zinc/10/25/23/456102523.db2.gz FILPCJPYNBVOCV-UHFFFAOYSA-N 0 3 345.395 3.160 20 10 EGCDHN CCN(Cc1cccc(OC)c1O)Cc1ccc(OC)cc1OC ZINC000271078655 456119610 /nfs/dbraw/zinc/11/96/10/456119610.db2.gz IBODPXWSMRZOGB-UHFFFAOYSA-N 0 3 331.412 3.440 20 10 EGCDHN COc1cccc(C[NH2+][C@@H](C)CCc2ccc3c(c2)OCO3)c1[O-] ZINC000289393722 456123139 /nfs/dbraw/zinc/12/31/39/456123139.db2.gz FIAHQRNRYBFSBK-ZDUSSCGKSA-N 0 3 329.396 3.240 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)c1 ZINC000289587519 456132055 /nfs/dbraw/zinc/13/20/55/456132055.db2.gz BTPNPHNJTZYYTA-DCPHZVHLSA-N 0 3 327.424 3.218 20 10 EGCDHN CC(=O)NCC1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000271152083 456144559 /nfs/dbraw/zinc/14/45/59/456144559.db2.gz UMHBNSVYBMOUQX-UHFFFAOYSA-N 0 3 329.488 3.025 20 10 EGCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)cc1OC ZINC000281225489 456170749 /nfs/dbraw/zinc/17/07/49/456170749.db2.gz KRMXZTQXKFELBO-QMCVQRASSA-N 0 3 349.471 3.171 20 10 EGCDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)cc1OC ZINC000281225489 456170755 /nfs/dbraw/zinc/17/07/55/456170755.db2.gz KRMXZTQXKFELBO-QMCVQRASSA-N 0 3 349.471 3.171 20 10 EGCDHN COC[C@@]1(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])OCCc2ccccc21 ZINC000289982628 456205716 /nfs/dbraw/zinc/20/57/16/456205716.db2.gz XYUAIPVDMNPRAQ-HRAATJIYSA-N 0 3 341.451 3.466 20 10 EGCDHN Cc1nnc(CCNCc2ccc(N(C)C)cc2C(F)(F)F)s1 ZINC000290025433 456219045 /nfs/dbraw/zinc/21/90/45/456219045.db2.gz ZZWXWRSGJFNECF-UHFFFAOYSA-N 0 3 344.406 3.264 20 10 EGCDHN Cc1ccc(CN2CC[C@@H]([NH2+][C@@H](C)c3cc(F)ccc3[O-])C2=O)cc1 ZINC000189085352 456221670 /nfs/dbraw/zinc/22/16/70/456221670.db2.gz CFXCXVZTUOLNKB-KBXCAEBGSA-N 0 3 342.414 3.291 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)c([O-])c1 ZINC000273393966 456227505 /nfs/dbraw/zinc/22/75/05/456227505.db2.gz LMYJJOZQNZRCGR-INIZCTEOSA-N 0 3 326.440 3.388 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]CCNC(=O)c2c(F)cccc2F)c([O-])c1C ZINC000273507231 456236527 /nfs/dbraw/zinc/23/65/27/456236527.db2.gz REOBIKUOADHEAF-ZDUSSCGKSA-N 0 3 348.393 3.368 20 10 EGCDHN COc1cccc(C(=O)NCC[NH2+][C@H](C)c2ccc(C)c(C)c2[O-])c1 ZINC000273580528 456239529 /nfs/dbraw/zinc/23/95/29/456239529.db2.gz MNZLAXXMTXMLBL-OAHLLOKOSA-N 0 3 342.439 3.098 20 10 EGCDHN CCOCCCN1CC[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)[C@@H](C)C1 ZINC000297549394 456249548 /nfs/dbraw/zinc/24/95/48/456249548.db2.gz FOGDUNIPKURBRW-RYQLBKOJSA-N 0 3 332.488 3.106 20 10 EGCDHN CCN1CCN(c2cccc(NC(=O)c3ccc(O)c(C)c3)c2)CC1 ZINC000274596873 456262100 /nfs/dbraw/zinc/26/21/00/456262100.db2.gz KGGJZVIBMGZWFC-UHFFFAOYSA-N 0 3 339.439 3.095 20 10 EGCDHN Cc1cc([O-])c(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)cc1C ZINC000274839449 456266200 /nfs/dbraw/zinc/26/62/00/456266200.db2.gz WGWGTHPZINJDJG-UHFFFAOYSA-N 0 3 340.471 3.316 20 10 EGCDHN CCCN(CCC)c1ccc(CNCc2cnn(CCOC)c2)cc1 ZINC000282036532 456397253 /nfs/dbraw/zinc/39/72/53/456397253.db2.gz ONLJCZNLRCNLFE-UHFFFAOYSA-N 0 3 344.503 3.446 20 10 EGCDHN CC[C@H](C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1)N(C)C ZINC000298241135 456401055 /nfs/dbraw/zinc/40/10/55/456401055.db2.gz LVDBMMGJQIPKEM-LJQANCHMSA-N 0 3 343.471 3.215 20 10 EGCDHN CCCCN(Cc1ccccc1O)[C@H](C)C(=O)Nc1nccs1 ZINC000282452333 456518779 /nfs/dbraw/zinc/51/87/79/456518779.db2.gz LWOBSXZHIZZPSW-CYBMUJFWSA-N 0 3 333.457 3.478 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCOCC(F)F)c1[O-] ZINC000276618015 456532565 /nfs/dbraw/zinc/53/25/65/456532565.db2.gz HPNQZHHCNHRWKW-SECBINFHSA-N 0 3 338.192 3.395 20 10 EGCDHN C[C@H]([NH2+][C@H]1CCO[C@]2(CCOC2)C1)c1cc2c(cc1[O-])CCCC2 ZINC000369901169 457452111 /nfs/dbraw/zinc/45/21/11/457452111.db2.gz FJZKMQPUUVLWLK-GZRFBZBPSA-N 0 3 331.456 3.260 20 10 EGCDHN COc1ccc(C[NH2+]Cc2ccc(C)cc2-c2cnn(C)c2)c([O-])c1 ZINC000368559907 458045517 /nfs/dbraw/zinc/04/55/17/458045517.db2.gz ZMIYSPSLSXBXKU-UHFFFAOYSA-N 0 3 337.423 3.400 20 10 EGCDHN COc1ccc2c(c1)CC[N@@H+](Cc1cc(OC)c(OC)cc1[O-])CC2 ZINC000372635445 458309984 /nfs/dbraw/zinc/30/99/84/458309984.db2.gz BUMJFWCKUZCSQF-UHFFFAOYSA-N 0 3 343.423 3.019 20 10 EGCDHN COc1ccc2c(c1)CC[N@H+](Cc1cc(OC)c(OC)cc1[O-])CC2 ZINC000372635445 458309987 /nfs/dbraw/zinc/30/99/87/458309987.db2.gz BUMJFWCKUZCSQF-UHFFFAOYSA-N 0 3 343.423 3.019 20 10 EGCDHN [O-]c1cc2c(cc1C[NH+]1CCC3(CC1)OCc1ccccc13)OCO2 ZINC000372744754 458329434 /nfs/dbraw/zinc/32/94/34/458329434.db2.gz HPKSSOTWXNUFMC-UHFFFAOYSA-N 0 3 339.391 3.142 20 10 EGCDHN COc1cc(Cl)cc(C[NH+]2CCC([C@@H]3CCOC3)CC2)c1[O-] ZINC000372946494 458356637 /nfs/dbraw/zinc/35/66/37/458356637.db2.gz OHWFMZUIVUNBHE-CYBMUJFWSA-N 0 3 325.836 3.303 20 10 EGCDHN C[C@@H](NCc1ccc(Cn2cncn2)cc1)c1ccc(N(C)C)cc1 ZINC000177772798 547029750 /nfs/dbraw/zinc/02/97/50/547029750.db2.gz NJMSSLDNJZNOOJ-MRXNPFEDSA-N 0 3 335.455 3.243 20 10 EGCDHN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000734520676 575507437 /nfs/dbraw/zinc/50/74/37/575507437.db2.gz JALSTONEHBKQQA-DLBZAZTESA-N 0 3 346.519 3.123 20 10 EGCDHN CC[C@@H]1CCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000735311166 575640226 /nfs/dbraw/zinc/64/02/26/575640226.db2.gz LPPGCEGYGJVUMO-QGZVFWFLSA-N 0 3 331.504 3.223 20 10 EGCDHN Cc1cc(C(=O)NCCN2CC[C@H](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000744795792 576834538 /nfs/dbraw/zinc/83/45/38/576834538.db2.gz NDOIYVRQJMRZMP-AWEZNQCLSA-N 0 3 343.446 3.305 20 10 EGCDHN CC[C@H]([NH2+][C@H]1CCCC[C@@H]1N1CCOCC1)c1ccc(C)cc1[O-] ZINC000794809254 1309599113 /nfs/dbraw/zinc/59/91/13/1309599113.db2.gz FFGTYQDYYOSBIZ-FHWLQOOXSA-N 0 3 332.488 3.385 20 10 EGCDHN COc1ccccc1[C@H]1CCCN1Cc1cc2c(cc1O)OCO2 ZINC000068880514 1292221834 /nfs/dbraw/zinc/22/18/34/1292221834.db2.gz QBBDZIZQNVIQEY-OAHLLOKOSA-N 0 3 327.380 3.467 20 10 EGCDHN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1cc([O-])cs1 ZINC000830184891 1292681834 /nfs/dbraw/zinc/68/18/34/1292681834.db2.gz DJMPGZLDKIFDIQ-UOIKSKOESA-N 0 3 344.480 3.340 20 10 EGCDHN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1cc([O-])cs1 ZINC000830184891 1292681845 /nfs/dbraw/zinc/68/18/45/1292681845.db2.gz DJMPGZLDKIFDIQ-UOIKSKOESA-N 0 3 344.480 3.340 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC[C@@H](N3CCCC3=O)C2)cc1 ZINC000093278865 1292914447 /nfs/dbraw/zinc/91/44/47/1292914447.db2.gz JIFDUFCVTFSYQF-LJQANCHMSA-N 0 3 329.488 3.120 20 10 EGCDHN Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834534177 1293112830 /nfs/dbraw/zinc/11/28/30/1293112830.db2.gz HEWXSGBASLCKLT-SJORKVTESA-N 0 3 327.424 3.026 20 10 EGCDHN C[C@@H](C[NH2+][C@H]1CCc2cccc([O-])c21)N1CCc2sccc2C1 ZINC000834537750 1293113548 /nfs/dbraw/zinc/11/35/48/1293113548.db2.gz JEDPSONVXJGSIV-BBRMVZONSA-N 0 3 328.481 3.477 20 10 EGCDHN CCS(=O)(=O)c1ccc(CN[C@H]2CCc3cccc(O)c32)s1 ZINC000834790471 1293149424 /nfs/dbraw/zinc/14/94/24/1293149424.db2.gz QDNDNEVCRXRDTM-ZDUSSCGKSA-N 0 3 337.466 3.024 20 10 EGCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H](O)c1cccc(Br)c1)CC2 ZINC000834793994 1293149845 /nfs/dbraw/zinc/14/98/45/1293149845.db2.gz LQMYYBGGPGSTQX-HOCLYGCPSA-N 0 3 348.240 3.465 20 10 EGCDHN CCN1C[C@H]([NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])CC1=O ZINC000834892011 1293165216 /nfs/dbraw/zinc/16/52/16/1293165216.db2.gz UCOMLCMZVGSVPT-MJGOQNOKSA-N 0 3 338.451 3.277 20 10 EGCDHN CC[C@H]([NH2+][C@H]1CCO[C@@H](c2ccnn2C)C1)c1ccc(C)cc1[O-] ZINC000834897127 1293168136 /nfs/dbraw/zinc/16/81/36/1293168136.db2.gz PXMZIOHWVRCLPM-URLQWDBASA-N 0 3 329.444 3.395 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](O)C2CCC2)c1[O-] ZINC000834904753 1293171195 /nfs/dbraw/zinc/17/11/95/1293171195.db2.gz CDOYUKNOJDVMND-YGRLFVJLSA-N 0 3 328.250 3.275 20 10 EGCDHN CC[C@H]([NH2+][C@H](C)C(=O)NCCc1ccccc1)c1ccccc1[O-] ZINC000834914058 1293175199 /nfs/dbraw/zinc/17/51/99/1293175199.db2.gz KVNYPRCZJVVRHJ-QAPCUYQASA-N 0 3 326.440 3.180 20 10 EGCDHN COc1cc(CNCc2ccc(N(C)C)cc2C)cc(OC)c1OC ZINC000115629392 1293192744 /nfs/dbraw/zinc/19/27/44/1293192744.db2.gz IYLCTXCGNMBKIZ-UHFFFAOYSA-N 0 3 344.455 3.377 20 10 EGCDHN CC[C@H]([NH2+]CC1(N2CCOCC2)CCCCC1)c1ccccc1[O-] ZINC000154872656 1294073806 /nfs/dbraw/zinc/07/38/06/1294073806.db2.gz LXRWZOMEGDUIME-SFHVURJKSA-N 0 3 332.488 3.468 20 10 EGCDHN CC[C@H](N[C@@H](C)C(=O)NCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000177944686 1294705249 /nfs/dbraw/zinc/70/52/49/1294705249.db2.gz PKCLVAZMWAGCCI-JXFKEZNVSA-N 0 3 339.483 3.498 20 10 EGCDHN C[C@@H]([NH2+]C[C@H](c1cccc(F)c1)N1CCOCC1)c1ccccc1[O-] ZINC000183453808 1295120828 /nfs/dbraw/zinc/12/08/28/1295120828.db2.gz AAEPAIUYQKOACG-DNVCBOLYSA-N 0 3 344.430 3.255 20 10 EGCDHN C[C@@H]([NH2+]CC1(N2CCOCC2)CCCCC1)c1cc(F)ccc1[O-] ZINC000184858720 1295224263 /nfs/dbraw/zinc/22/42/63/1295224263.db2.gz ARKWFEMVPFBXHE-OAHLLOKOSA-N 0 3 336.451 3.217 20 10 EGCDHN C[C@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CC1)c1cc(F)ccc1[O-] ZINC000185534061 1295269386 /nfs/dbraw/zinc/26/93/86/1295269386.db2.gz OZASRWAHEYELSM-NHYWBVRUSA-N 0 3 338.423 3.485 20 10 EGCDHN CO[C@@]1(C)CCC[N@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000230299866 1296163289 /nfs/dbraw/zinc/16/32/89/1296163289.db2.gz WUAFCHVYYQPOMB-HNNXBMFYSA-N 0 3 328.250 3.464 20 10 EGCDHN CO[C@@]1(C)CCC[N@@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000230299866 1296163295 /nfs/dbraw/zinc/16/32/95/1296163295.db2.gz WUAFCHVYYQPOMB-HNNXBMFYSA-N 0 3 328.250 3.464 20 10 EGCDHN CO[C@@]1(C)CCCN(Cc2cc(Br)cc(C)c2O)C1 ZINC000230299866 1296163298 /nfs/dbraw/zinc/16/32/98/1296163298.db2.gz WUAFCHVYYQPOMB-HNNXBMFYSA-N 0 3 328.250 3.464 20 10 EGCDHN COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000872134550 1296758438 /nfs/dbraw/zinc/75/84/38/1296758438.db2.gz CJWQJDHNCNHHJQ-AVCJSFLBSA-N 0 3 349.402 3.321 20 10 EGCDHN COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000872134551 1296758962 /nfs/dbraw/zinc/75/89/62/1296758962.db2.gz CJWQJDHNCNHHJQ-HNYWDRBLSA-N 0 3 349.402 3.321 20 10 EGCDHN COc1ccc(OC)c([C@H](O)[C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000872134552 1296759594 /nfs/dbraw/zinc/75/95/94/1296759594.db2.gz CJWQJDHNCNHHJQ-SYTFOFBDSA-N 0 3 349.402 3.321 20 10 EGCDHN COc1cc(C)cc(CN2CCc3ccc(NC(C)=O)cc3C2)c1O ZINC000872811820 1297123354 /nfs/dbraw/zinc/12/33/54/1297123354.db2.gz SOAFJNHLDAKESA-UHFFFAOYSA-N 0 3 340.423 3.226 20 10 EGCDHN COc1ccc(O)c(CN2CCN(c3cccc(C)c3C)CC2)c1 ZINC000325311055 1297224261 /nfs/dbraw/zinc/22/42/61/1297224261.db2.gz XFMTYWWJFHVRPI-UHFFFAOYSA-N 0 3 326.440 3.340 20 10 EGCDHN C[C@@H]([NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1cc(F)ccc1[O-] ZINC000715109435 1298277993 /nfs/dbraw/zinc/27/79/93/1298277993.db2.gz LOJOEAIMWIIEDG-BZPMIXESSA-N 0 3 338.423 3.485 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCN2Cc2ccccc2)c1[O-] ZINC000716287201 1298298438 /nfs/dbraw/zinc/29/84/38/1298298438.db2.gz DHSZSECTDCDGOG-KRWDZBQOSA-N 0 3 346.858 3.418 20 10 EGCDHN CCOc1ccc(C[NH2+]Cc2ccnc(N3CCCC3)c2)c([O-])c1 ZINC000725845355 1298373425 /nfs/dbraw/zinc/37/34/25/1298373425.db2.gz ZHYYXJPTHJDGSR-UHFFFAOYSA-N 0 3 327.428 3.076 20 10 EGCDHN C[C@H]1CC[C@H](C)N1CC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000746172102 1298548259 /nfs/dbraw/zinc/54/82/59/1298548259.db2.gz GDMVTGXBMUWUAJ-IRXDYDNUSA-N 0 3 329.488 3.166 20 10 EGCDHN CCOC(=O)N1CCCN(Cc2cc(C(C)C)c(C)cc2O)CC1 ZINC000748293969 1298977584 /nfs/dbraw/zinc/97/75/84/1298977584.db2.gz HAMBAVXDXFWWOF-UHFFFAOYSA-N 0 3 334.460 3.488 20 10 EGCDHN Cc1cccc([O-])c1C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000876965667 1299092128 /nfs/dbraw/zinc/09/21/28/1299092128.db2.gz JQSHBRGGXBCZGZ-UHFFFAOYSA-N 0 3 340.467 3.199 20 10 EGCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000877085729 1299152044 /nfs/dbraw/zinc/15/20/44/1299152044.db2.gz QWSQDGFUDBXWJK-SFHVURJKSA-N 0 3 338.451 3.024 20 10 EGCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000877168260 1299191074 /nfs/dbraw/zinc/19/10/74/1299191074.db2.gz QTPDYNKFVGLPJF-CABCVRRESA-N 0 3 334.460 3.436 20 10 EGCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000877168260 1299191077 /nfs/dbraw/zinc/19/10/77/1299191077.db2.gz QTPDYNKFVGLPJF-CABCVRRESA-N 0 3 334.460 3.436 20 10 EGCDHN CCN1CCN(c2cccc(NCc3ccc(C)cc3O)c2)CC1 ZINC000877403589 1299281376 /nfs/dbraw/zinc/28/13/76/1299281376.db2.gz TUVSGWWEFVZASN-UHFFFAOYSA-N 0 3 325.456 3.455 20 10 EGCDHN Cc1ccc(C[NH2+]CC2=CCN(C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000877433976 1299295794 /nfs/dbraw/zinc/29/57/94/1299295794.db2.gz LBEUEVCTYHGVMK-UHFFFAOYSA-N 0 3 332.444 3.357 20 10 EGCDHN Cc1cccc(O)c1CN1CCC(O)(c2c(F)cccc2F)CC1 ZINC000877436720 1299297638 /nfs/dbraw/zinc/29/76/38/1299297638.db2.gz YAFSHGZDIXIXDL-UHFFFAOYSA-N 0 3 333.378 3.462 20 10 EGCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000877505402 1299354999 /nfs/dbraw/zinc/35/49/99/1299354999.db2.gz SZIIQPYDGIDDTG-MRXNPFEDSA-N 0 3 325.412 3.097 20 10 EGCDHN COc1ccc(N2CC[C@H](C[NH2+]Cc3c(C)cccc3[O-])C2)cc1 ZINC000877597873 1299422674 /nfs/dbraw/zinc/42/26/74/1299422674.db2.gz BJKAPUZAYUNHHX-MRXNPFEDSA-N 0 3 326.440 3.325 20 10 EGCDHN CC[N@H+](CCC(=O)OC)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000753539247 1299966738 /nfs/dbraw/zinc/96/67/38/1299966738.db2.gz ZDEFDOBPLRECMX-UHFFFAOYSA-N 0 3 343.423 3.356 20 10 EGCDHN CC[N@@H+](CCC(=O)OC)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000753539247 1299966746 /nfs/dbraw/zinc/96/67/46/1299966746.db2.gz ZDEFDOBPLRECMX-UHFFFAOYSA-N 0 3 343.423 3.356 20 10 EGCDHN CN(C)c1cc(CN(Cc2ccccc2O)C[C@H]2CCCO2)ccn1 ZINC000754058132 1300072646 /nfs/dbraw/zinc/07/26/46/1300072646.db2.gz LYQNOELVWDQZRU-GOSISDBHSA-N 0 3 341.455 3.034 20 10 EGCDHN CCc1nn(C)c(OC)c1CN[C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756664820 1300543842 /nfs/dbraw/zinc/54/38/42/1300543842.db2.gz QQCCVBCGOBUEOB-HZMBPMFUSA-N 0 3 333.407 3.174 20 10 EGCDHN CCOc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648718 1300649867 /nfs/dbraw/zinc/64/98/67/1300649867.db2.gz ALYDUSRBECCYAA-ZIAGYGMSSA-N 0 3 328.412 3.469 20 10 EGCDHN CCN(C)c1ccc([C@@H](C)NCc2ccc3c(c2)C(=O)NCC3)cc1 ZINC000757662174 1300705504 /nfs/dbraw/zinc/70/55/04/1300705504.db2.gz STRJJDRBENBADU-OAHLLOKOSA-N 0 3 337.467 3.279 20 10 EGCDHN COc1cccc(CN[C@H](Cc2nc(C)no2)c2ccccc2)c1O ZINC000758621361 1300923895 /nfs/dbraw/zinc/92/38/95/1300923895.db2.gz VIBYAIDVLJPQOE-MRXNPFEDSA-N 0 3 339.395 3.166 20 10 EGCDHN C[C@H]1C[C@@H]([NH2+]CCCN2CCCO[C@H](C)C2)c2c1c(F)ccc2[O-] ZINC000762648471 1301721251 /nfs/dbraw/zinc/72/12/51/1301721251.db2.gz IZWKVLOXIFDFCC-SQWLQELKSA-N 0 3 336.451 3.170 20 10 EGCDHN Cc1nc([C@@H](C)NCc2ccc(N3CCN(C)CC3)cc2)cs1 ZINC000883289289 1302368438 /nfs/dbraw/zinc/36/84/38/1302368438.db2.gz KAUMXLMKYAAKMW-CQSZACIVSA-N 0 3 330.501 3.054 20 10 EGCDHN C[C@@H]([NH2+]Cc1ccc([O-])c(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000766098024 1302388104 /nfs/dbraw/zinc/38/81/04/1302388104.db2.gz KKFYDPBSCFPHSN-CQSZACIVSA-N 0 3 330.403 3.219 20 10 EGCDHN COc1cccc([O-])c1C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000768234467 1302860585 /nfs/dbraw/zinc/86/05/85/1302860585.db2.gz LOHLHJUEMACKFD-HXUWFJFHSA-N 0 3 327.424 3.346 20 10 EGCDHN C[C@H]1C[C@@H]([NH2+]CCc2cn3c(n2)SCC3)c2c1c(F)ccc2[O-] ZINC000768284187 1302872356 /nfs/dbraw/zinc/87/23/56/1302872356.db2.gz BDRMKJHIXUYOJC-GXFFZTMASA-N 0 3 333.432 3.214 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+](C1CC1)[C@@H]1CCc3ccccc31)[C@@H](O)CO2 ZINC000768444983 1302908142 /nfs/dbraw/zinc/90/81/42/1302908142.db2.gz ZVXPNTPMUDXGIP-QUCCMNQESA-N 0 3 337.419 3.470 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+](C1CC1)[C@@H]1CCc3ccccc31)[C@@H](O)CO2 ZINC000768444983 1302908149 /nfs/dbraw/zinc/90/81/49/1302908149.db2.gz ZVXPNTPMUDXGIP-QUCCMNQESA-N 0 3 337.419 3.470 20 10 EGCDHN COc1ccc2c(c1)CCCN(Cc1cc(OC)c(OC)cc1O)C2 ZINC000768452144 1302909893 /nfs/dbraw/zinc/90/98/93/1302909893.db2.gz PHCPQLKPCFXZJO-UHFFFAOYSA-N 0 3 343.423 3.366 20 10 EGCDHN CCOc1cccc(CN2C[C@H](CC)N(C(C)=O)C[C@H]2CC)c1O ZINC000769496127 1303126750 /nfs/dbraw/zinc/12/67/50/1303126750.db2.gz KKBVLKFBJXKKQT-SJORKVTESA-N 0 3 334.460 3.012 20 10 EGCDHN C[C@@H](N[C@@H](C)C(=O)NCc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000774482419 1303814738 /nfs/dbraw/zinc/81/47/38/1303814738.db2.gz KIJRHLHKGYQAIK-CABCVRRESA-N 0 3 343.446 3.247 20 10 EGCDHN CC(C)n1nccc1NC(=O)[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774486133 1303816433 /nfs/dbraw/zinc/81/64/33/1303816433.db2.gz WAUODIRBGJHGNA-HUUCEWRRSA-N 0 3 343.475 3.208 20 10 EGCDHN CC(C)[N@@H+](Cc1cc(F)ccc1[O-])C[C@H](O)COc1ccccc1 ZINC000775200627 1303923654 /nfs/dbraw/zinc/92/36/54/1303923654.db2.gz RFCFMKWITICTPD-KRWDZBQOSA-N 0 3 333.403 3.182 20 10 EGCDHN CC(C)[N@H+](Cc1cc(F)ccc1[O-])C[C@H](O)COc1ccccc1 ZINC000775200627 1303923656 /nfs/dbraw/zinc/92/36/56/1303923656.db2.gz RFCFMKWITICTPD-KRWDZBQOSA-N 0 3 333.403 3.182 20 10 EGCDHN C[C@H](NCC(=O)NCc1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000775834081 1304046503 /nfs/dbraw/zinc/04/65/03/1304046503.db2.gz JXEQDTWHAAFDAL-AWEZNQCLSA-N 0 3 345.874 3.373 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+][C@H](C)CN2CCCCC2)c1[O-] ZINC000775974835 1304072552 /nfs/dbraw/zinc/07/25/52/1304072552.db2.gz YKKYWZXHUHRJFO-CYBMUJFWSA-N 0 3 341.293 3.427 20 10 EGCDHN O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1cccc(O)c1[O-] ZINC000776631417 1304181179 /nfs/dbraw/zinc/18/11/79/1304181179.db2.gz IWSBDOQXMQPSAX-UHFFFAOYSA-N 0 3 340.423 3.379 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC2(O)CCCC2)c1[O-] ZINC000779024475 1304519493 /nfs/dbraw/zinc/51/94/93/1304519493.db2.gz NFDMESBOEYTCTE-NSHDSACASA-N 0 3 328.250 3.419 20 10 EGCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000779104029 1304528771 /nfs/dbraw/zinc/52/87/71/1304528771.db2.gz KUYIAOGWNLZGDQ-AWEZNQCLSA-N 0 3 340.192 3.117 20 10 EGCDHN COc1cc(Br)cc(CN2CCC(C)(OC)CC2)c1O ZINC000779598982 1304585574 /nfs/dbraw/zinc/58/55/74/1304585574.db2.gz OBGDILLQVNAXQK-UHFFFAOYSA-N 0 3 344.249 3.164 20 10 EGCDHN C[C@@H](CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccco1 ZINC000891248237 1304999345 /nfs/dbraw/zinc/99/93/45/1304999345.db2.gz XAEAXXSGYZKSMF-YJBOKZPZSA-N 0 3 343.471 3.258 20 10 EGCDHN CN(C)c1ccc([C@H](CNC(=O)C23CCC(CC2)C3)N(C)C)cc1 ZINC000891247183 1304999447 /nfs/dbraw/zinc/99/94/47/1304999447.db2.gz GSYPIVQFOPQMPX-VDUSKEEQSA-N 0 3 329.488 3.052 20 10 EGCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccoc2C2CC2)N(C)C)cc1 ZINC000891248839 1305000959 /nfs/dbraw/zinc/00/09/59/1305000959.db2.gz NMQJXOIFAZQYMZ-SFHVURJKSA-N 0 3 341.455 3.256 20 10 EGCDHN CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CCCN2C2CC2)cc1 ZINC000786763953 1305625764 /nfs/dbraw/zinc/62/57/64/1305625764.db2.gz BJWBSSGKULOLQR-LJQANCHMSA-N 0 3 329.488 3.118 20 10 EGCDHN COc1cc(Br)cc(C[NH2+]C[C@H]2CCSC2)c1[O-] ZINC000790485122 1306335588 /nfs/dbraw/zinc/33/55/88/1306335588.db2.gz JUMGLJMPUPDBJD-SECBINFHSA-N 0 3 332.263 3.006 20 10 EGCDHN CCn1cc(CN(Cc2ccc(OC)c(OC)c2O)C(C)C)cn1 ZINC000895160000 1309216219 /nfs/dbraw/zinc/21/62/19/1309216219.db2.gz JXZKDIRIYUHXOV-UHFFFAOYSA-N 0 3 333.432 3.036 20 10 EGCDHN COCC[C@H](Cc1cccc(F)c1)[NH2+]Cc1ccc(OC)cc1[O-] ZINC000793387623 1309362150 /nfs/dbraw/zinc/36/21/50/1309362150.db2.gz IOPYMWBYOPBLEJ-QGZVFWFLSA-N 0 3 333.403 3.277 20 10 EGCDHN CCc1cccc(CN[C@H]2CCN(c3c(F)cccc3F)C2=O)c1O ZINC000895495550 1309369389 /nfs/dbraw/zinc/36/93/89/1309369389.db2.gz SISSHNLMGUXZPI-INIZCTEOSA-N 0 3 346.377 3.128 20 10 EGCDHN CCN(CC)c1ccc(CN2CC[C@@](CO)(C(F)(F)F)C2)cc1 ZINC000895845147 1309553655 /nfs/dbraw/zinc/55/36/55/1309553655.db2.gz NTYBWZNWFWPGCH-MRXNPFEDSA-N 0 3 330.394 3.280 20 10 EGCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CSC[C@H]2C)c1[O-] ZINC000796482522 1310012127 /nfs/dbraw/zinc/01/21/27/1310012127.db2.gz NEOFDMQUELBVMY-LDYMZIIASA-N 0 3 332.263 3.004 20 10 EGCDHN COc1ccc(N2CCN(CCCCC3CCOCC3)CC2)cc1 ZINC000799106487 1310486645 /nfs/dbraw/zinc/48/66/45/1310486645.db2.gz BDEZWLRYAJSJHG-UHFFFAOYSA-N 0 3 332.488 3.414 20 10 EGCDHN COc1cc(Br)cc(CN2CC[C@H](OC)C[C@@H]2C)c1O ZINC000799738184 1310608907 /nfs/dbraw/zinc/60/89/07/1310608907.db2.gz SZWYSXGQGIZUEJ-GWCFXTLKSA-N 0 3 344.249 3.163 20 10 EGCDHN COc1cc(Br)cc(C[NH2+]C(C)(C)CSC)c1[O-] ZINC000898305638 1310669729 /nfs/dbraw/zinc/66/97/29/1310669729.db2.gz LYIZCGYAWWZBMM-UHFFFAOYSA-N 0 3 334.279 3.395 20 10 EGCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CCCC23CCC3)N(C)C)cc1 ZINC000899097472 1310932501 /nfs/dbraw/zinc/93/25/01/1310932501.db2.gz AYFZILZAACNDNT-GOSISDBHSA-N 0 3 344.503 3.083 20 10 EGCDHN CCCCN(CC(=O)N1C[C@H](C)C[C@H](C)C1)Cc1ccccc1O ZINC000801596796 1310970585 /nfs/dbraw/zinc/97/05/85/1310970585.db2.gz PGQLLVMWNHXGCK-CALCHBBNSA-N 0 3 332.488 3.499 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000827602402 1320462115 /nfs/dbraw/zinc/46/21/15/1320462115.db2.gz ONOAJROOQKKMIZ-OALUTQOASA-N 0 3 339.435 3.440 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000827602402 1320462120 /nfs/dbraw/zinc/46/21/20/1320462120.db2.gz ONOAJROOQKKMIZ-OALUTQOASA-N 0 3 339.435 3.440 20 10 EGCDHN Cc1cc([C@@](C)(O)CNCc2cc(F)c(N(C)C)cc2F)c(C)o1 ZINC000858144563 1328694220 /nfs/dbraw/zinc/69/42/20/1328694220.db2.gz CZOBLIHUFKICSL-SFHVURJKSA-N 0 3 338.398 3.238 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](CO)C(C)C)c1[O-] ZINC000806169176 1317467930 /nfs/dbraw/zinc/46/79/30/1317467930.db2.gz IQFVAYKLNMYFIZ-VXGBXAGGSA-N 0 3 330.266 3.378 20 10 EGCDHN CC[C@H]([NH2+]C[C@H](C)N1CCN(CC)CC1)c1cccc(Cl)c1[O-] ZINC000806132470 1317463420 /nfs/dbraw/zinc/46/34/20/1317463420.db2.gz WQSYGYQQWRQVHV-YOEHRIQHSA-N 0 3 339.911 3.112 20 10 EGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc(CC(N)=O)cc2)c1[O-] ZINC000810241762 1317984491 /nfs/dbraw/zinc/98/44/91/1317984491.db2.gz DNAYLAWRYOSVDI-GFCCVEGCSA-N 0 3 332.831 3.233 20 10 EGCDHN COc1ccc2[nH]cc(C3=CCN(c4ccnc(CO)c4)CC3)c2c1 ZINC000858353087 1328743332 /nfs/dbraw/zinc/74/33/32/1328743332.db2.gz IVZKULNFRFBMOS-UHFFFAOYSA-N 0 3 335.407 3.358 20 10 EGCDHN Cc1cccc([C@@H](O)C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c1 ZINC000929970399 1328752808 /nfs/dbraw/zinc/75/28/08/1328752808.db2.gz JZXSYKCPSUHQRR-CTNGQTDRSA-N 0 3 341.451 3.415 20 10 EGCDHN Cc1cccc([C@@H](O)C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c1 ZINC000929970399 1328752811 /nfs/dbraw/zinc/75/28/11/1328752811.db2.gz JZXSYKCPSUHQRR-CTNGQTDRSA-N 0 3 341.451 3.415 20 10 EGCDHN c1csc([C@@H](NCCCSc2nccs2)c2nnc[nH]2)c1 ZINC000815581838 1319020875 /nfs/dbraw/zinc/02/08/75/1319020875.db2.gz QRZDUYZQXOGFII-LLVKDONJSA-N 0 3 337.499 3.184 20 10 EGCDHN CC1(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])OCCO1 ZINC000815600514 1319026401 /nfs/dbraw/zinc/02/64/01/1319026401.db2.gz WHCUBQLYWUVZRY-SFHVURJKSA-N 0 3 327.424 3.419 20 10 EGCDHN NC(=O)[C@H]1CC[C@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000817413078 1319353144 /nfs/dbraw/zinc/35/31/44/1319353144.db2.gz SNSGJTGTNATZCC-JCNLHEQBSA-N 0 3 338.451 3.441 20 10 EGCDHN CCN(CC)c1ccc(CN(C)Cc2cccc(C(N)=O)c2)cc1 ZINC000914851978 1319389222 /nfs/dbraw/zinc/38/92/22/1319389222.db2.gz WYXZZTGSXFCVCX-UHFFFAOYSA-N 0 3 325.456 3.264 20 10 EGCDHN Cc1cc(O)c(CN2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]32)cc1C ZINC000822508025 1320090497 /nfs/dbraw/zinc/09/04/97/1320090497.db2.gz MQEGLFUGBMLSEA-RDJZCZTQSA-N 0 3 346.471 3.450 20 10 EGCDHN CCCN1CC[C@@H]([NH2+]Cc2cc(Br)cc(C)c2[O-])C1 ZINC000827518812 1320458283 /nfs/dbraw/zinc/45/82/83/1320458283.db2.gz FHZXLQQROSGAMU-CQSZACIVSA-N 0 3 327.266 3.037 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCc2ccc(Br)cn2)c1 ZINC000839538370 1320934419 /nfs/dbraw/zinc/93/44/19/1320934419.db2.gz BMXHEIBHVWQFAA-JTQLQIEISA-N 0 3 337.217 3.409 20 10 EGCDHN Cc1ccccc1C(C)(C)NCC(=O)NCc1ccc(N(C)C)cc1 ZINC000839609876 1320944833 /nfs/dbraw/zinc/94/48/33/1320944833.db2.gz SCESTDZKFMFZHJ-UHFFFAOYSA-N 0 3 339.483 3.202 20 10 EGCDHN COc1ccc(C[N@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)cc1Cl ZINC000840181962 1321044170 /nfs/dbraw/zinc/04/41/70/1321044170.db2.gz BKKDMHZBIKFODU-MRXNPFEDSA-N 0 3 349.814 3.112 20 10 EGCDHN COc1ccc(C[N@@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)cc1Cl ZINC000840181962 1321044176 /nfs/dbraw/zinc/04/41/76/1321044176.db2.gz BKKDMHZBIKFODU-MRXNPFEDSA-N 0 3 349.814 3.112 20 10 EGCDHN COc1ccc(CN(C)Cc2cc3c(cc2O)OC[C@H]3O)cc1Cl ZINC000840181962 1321044180 /nfs/dbraw/zinc/04/41/80/1321044180.db2.gz BKKDMHZBIKFODU-MRXNPFEDSA-N 0 3 349.814 3.112 20 10 EGCDHN Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@@H](C)c1cc2n(n1)CCC2 ZINC000840892938 1321171737 /nfs/dbraw/zinc/17/17/37/1321171737.db2.gz FHRCZDBPBYAGLY-CVEARBPZSA-N 0 3 326.488 3.486 20 10 EGCDHN Cc1cc(N(C)C)ccc1CN[C@@H]1CCN(c2ccccc2F)C1=O ZINC000840934765 1321180457 /nfs/dbraw/zinc/18/04/57/1321180457.db2.gz XCUJKZJNCKAPAK-GOSISDBHSA-N 0 3 341.430 3.095 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@H]2C)c1[O-] ZINC000840962871 1321188500 /nfs/dbraw/zinc/18/85/00/1321188500.db2.gz GWIVGCFIJHOXMN-WOPDTQHZSA-N 0 3 328.250 3.366 20 10 EGCDHN O=C(NC[C@@H]1CNCCO1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000841004249 1321198138 /nfs/dbraw/zinc/19/81/38/1321198138.db2.gz DDEMCMBJBBOTDW-KRWDZBQOSA-N 0 3 339.399 3.212 20 10 EGCDHN CC[NH2+]Cc1cccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000841044340 1321208115 /nfs/dbraw/zinc/20/81/15/1321208115.db2.gz YRKAJLHNMXCAMC-UHFFFAOYSA-N 0 3 331.372 3.031 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCc2cc(OC)c(OC)cc2F)c1 ZINC000845972568 1321759851 /nfs/dbraw/zinc/75/98/51/1321759851.db2.gz SBEICRWUCFSPDV-NSHDSACASA-N 0 3 335.375 3.408 20 10 EGCDHN COc1cccc([C@@H](C)NCc2cccc(C(=O)NC3CC3)c2)c1O ZINC000846141217 1321770970 /nfs/dbraw/zinc/77/09/70/1321770970.db2.gz GCDGABIRRQOUNH-CYBMUJFWSA-N 0 3 340.423 3.144 20 10 EGCDHN COC[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000850567434 1322269540 /nfs/dbraw/zinc/26/95/40/1322269540.db2.gz BYJXHSPUZQOQHZ-OAQYLSRUSA-N 0 3 340.467 3.125 20 10 EGCDHN Cc1cc(C)n(-c2ccc(CNCc3ccc4c(c3)CCCO4)cn2)n1 ZINC000921547745 1322348111 /nfs/dbraw/zinc/34/81/11/1322348111.db2.gz NIQGHCOAXABNNV-UHFFFAOYSA-N 0 3 348.450 3.499 20 10 EGCDHN CCN(CC)c1ccc(CN(C)CCc2nc(C(C)=O)c(C)[nH]2)cc1 ZINC000851716963 1323073416 /nfs/dbraw/zinc/07/34/16/1323073416.db2.gz RYQRPWJFPJGSBE-UHFFFAOYSA-N 0 3 342.487 3.441 20 10 EGCDHN CC(C)CCN1CC[C@H]1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994248 1358949436 /nfs/dbraw/zinc/94/94/36/1358949436.db2.gz GUYXHLHDYIDCAN-INIZCTEOSA-N 0 3 345.447 3.041 20 10 EGCDHN CCCN1CCCC[C@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC001324093423 1387538710 /nfs/dbraw/zinc/53/87/10/1387538710.db2.gz CBSQVPJAZZLPRE-SFHVURJKSA-N 0 3 330.472 3.152 20 10 EGCDHN CCN(Cc1ccccc1O)Cc1ccc(OC)c(OC)c1OC ZINC001203466021 1370135878 /nfs/dbraw/zinc/13/58/78/1370135878.db2.gz HGJSUCHMKDKOOV-UHFFFAOYSA-N 0 3 331.412 3.440 20 10 EGCDHN CC(C)(C)OC(=O)N1CC(C2CC[NH+](Cc3ccccc3[O-])CC2)C1 ZINC001203551856 1370166698 /nfs/dbraw/zinc/16/66/98/1370166698.db2.gz QTDVRCVNARJXBU-UHFFFAOYSA-N 0 3 346.471 3.471 20 10 EGCDHN O=C1N(CC2CCCC2)CCC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001203551493 1370166871 /nfs/dbraw/zinc/16/68/71/1370166871.db2.gz FVEOYXJWZRZFEM-UHFFFAOYSA-N 0 3 342.483 3.397 20 10 EGCDHN CS(=O)(=O)c1cccc(C2CCN(Cc3ccccc3O)CC2)c1 ZINC001203560646 1370169803 /nfs/dbraw/zinc/16/98/03/1370169803.db2.gz FFERFQJITKBQMP-UHFFFAOYSA-N 0 3 345.464 3.175 20 10 EGCDHN COc1ccccc1OCC1CCN(Cc2ccc(O)c(O)c2)CC1 ZINC001203881860 1370298061 /nfs/dbraw/zinc/29/80/61/1370298061.db2.gz VULVGLLOZFSUSY-UHFFFAOYSA-N 0 3 343.423 3.397 20 10 EGCDHN CN(C)c1ccc(CN2CCC(N3Cc4ccccc4C3=O)CC2)cc1 ZINC001203937439 1370322005 /nfs/dbraw/zinc/32/20/05/1370322005.db2.gz QTQRGCLJCAHFKG-UHFFFAOYSA-N 0 3 349.478 3.373 20 10 EGCDHN COc1ccc([C@H](CO)N(C)Cc2ccc(N3CCCC3)cc2)cc1 ZINC001116442854 1370912387 /nfs/dbraw/zinc/91/23/87/1370912387.db2.gz STAQLOVGZORNBE-NRFANRHFSA-N 0 3 340.467 3.461 20 10 EGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](CO)CC2CCOCC2)c1[O-] ZINC001117503073 1371049271 /nfs/dbraw/zinc/04/92/71/1371049271.db2.gz CIWQVEAXSAOEAB-UKRRQHHQSA-N 0 3 341.879 3.430 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CCCC[C@H]1CO ZINC001231466181 1376246281 /nfs/dbraw/zinc/24/62/81/1376246281.db2.gz OQXOIGZMAYZDFC-SFHVURJKSA-N 0 3 327.424 3.318 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CCCC[C@H]1CO ZINC001231466181 1376246284 /nfs/dbraw/zinc/24/62/84/1376246284.db2.gz OQXOIGZMAYZDFC-SFHVURJKSA-N 0 3 327.424 3.318 20 10 EGCDHN COc1cc(CN(C)Cc2cccc(C)c2O)cc(OC)c1OC ZINC001231592106 1376274174 /nfs/dbraw/zinc/27/41/74/1376274174.db2.gz BMEOTYNVMUNZQF-UHFFFAOYSA-N 0 3 331.412 3.358 20 10 EGCDHN CCOCc1ncn2c1CN(Cc1c(C)cc(C)cc1O)CCC2 ZINC001231845209 1376326106 /nfs/dbraw/zinc/32/61/06/1376326106.db2.gz XHALIBMHYLPLMT-UHFFFAOYSA-N 0 3 329.444 3.148 20 10 EGCDHN COc1cc([O-])c(CN2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)cc1Cl ZINC001232271415 1376427549 /nfs/dbraw/zinc/42/75/49/1376427549.db2.gz MYAXLMSMCKTZMN-GJZGRUSLSA-N 0 3 342.842 3.062 20 10 EGCDHN C[C@H]1C[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C[C@H]1O ZINC001233194548 1376583876 /nfs/dbraw/zinc/58/38/76/1376583876.db2.gz XKLLRQWWFMYUPK-MGPLVRAMSA-N 0 3 336.229 3.121 20 10 EGCDHN C[C@H]1C[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C[C@H]1O ZINC001233194548 1376583880 /nfs/dbraw/zinc/58/38/80/1376583880.db2.gz XKLLRQWWFMYUPK-MGPLVRAMSA-N 0 3 336.229 3.121 20 10 EGCDHN [O-]c1c(C[NH+]2CCN(c3ccccn3)CC2)cccc1C(F)(F)F ZINC001233415817 1376641038 /nfs/dbraw/zinc/64/10/38/1376641038.db2.gz JDZRNGHBRVKKGF-UHFFFAOYSA-N 0 3 337.345 3.128 20 10 EGCDHN C[C@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC[C@@]1(C)O ZINC001233726412 1376703737 /nfs/dbraw/zinc/70/37/37/1376703737.db2.gz CXYLUCNKUQDFPT-XHDPSFHLSA-N 0 3 333.350 3.274 20 10 EGCDHN C[C@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC[C@@]1(C)O ZINC001233726412 1376703740 /nfs/dbraw/zinc/70/37/40/1376703740.db2.gz CXYLUCNKUQDFPT-XHDPSFHLSA-N 0 3 333.350 3.274 20 10 EGCDHN [O-]c1ccc(Br)cc1CN1CCCCC12CC[NH2+]CC2 ZINC001235189848 1376856248 /nfs/dbraw/zinc/85/62/48/1376856248.db2.gz DYPJHKLROREMMU-UHFFFAOYSA-N 0 3 339.277 3.263 20 10 EGCDHN CCCC[C@@H]1CN(Cc2cc(Br)ccc2[O-])CC[NH2+]1 ZINC001236139235 1376936657 /nfs/dbraw/zinc/93/66/57/1376936657.db2.gz LECQHPYBHMPDBP-CQSZACIVSA-N 0 3 327.266 3.119 20 10 EGCDHN CC1(C)C[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])[C@](C)(CO)C1 ZINC001237053801 1376971375 /nfs/dbraw/zinc/97/13/75/1376971375.db2.gz QVJMSTHVKCTGTF-INIZCTEOSA-N 0 3 347.377 3.316 20 10 EGCDHN CC1(C)C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])[C@](C)(CO)C1 ZINC001237053801 1376971378 /nfs/dbraw/zinc/97/13/78/1376971378.db2.gz QVJMSTHVKCTGTF-INIZCTEOSA-N 0 3 347.377 3.316 20 10 EGCDHN CCN(Cc1ccccc1O)Cc1cc(C(=O)OC)ccc1OC ZINC001137250148 1377504211 /nfs/dbraw/zinc/50/42/11/1377504211.db2.gz QKABALSHQLUKLG-UHFFFAOYSA-N 0 3 329.396 3.210 20 10 EGCDHN Cc1ncccc1CN(C)Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138343175 1377706444 /nfs/dbraw/zinc/70/64/44/1377706444.db2.gz ZCNKQLQZVRPJMW-UHFFFAOYSA-N 0 3 337.467 3.426 20 10 EGCDHN CN1CCCc2cc(CN3CCCC[C@H]3C(=O)N3CCCC3)ccc21 ZINC001138358467 1377709372 /nfs/dbraw/zinc/70/93/72/1377709372.db2.gz SNAKYGHGVNJBOB-FQEVSTJZSA-N 0 3 341.499 3.046 20 10 EGCDHN CCN(CC)c1ccc(CN2CCN(C3CCC3)CC2)c(OC)c1 ZINC001138386201 1377714072 /nfs/dbraw/zinc/71/40/72/1377714072.db2.gz JLJSKAVZVPDMNY-UHFFFAOYSA-N 0 3 331.504 3.212 20 10 EGCDHN CCN(CCn1ccnc1)Cc1ccc(N(CC)CC)cc1OC ZINC001138391518 1377714313 /nfs/dbraw/zinc/71/43/13/1377714313.db2.gz FHGFWCMKPJPZGS-UHFFFAOYSA-N 0 3 330.476 3.260 20 10 EGCDHN CC[N@H+](Cc1ccccc1[O-])Cc1ccccc1N1CCOCC1 ZINC001139507144 1377894357 /nfs/dbraw/zinc/89/43/57/1377894357.db2.gz QVNFHVLQMCVCQH-UHFFFAOYSA-N 0 3 326.440 3.251 20 10 EGCDHN CC[N@@H+](Cc1ccccc1[O-])Cc1ccccc1N1CCOCC1 ZINC001139507144 1377894360 /nfs/dbraw/zinc/89/43/60/1377894360.db2.gz QVNFHVLQMCVCQH-UHFFFAOYSA-N 0 3 326.440 3.251 20 10 EGCDHN Cc1cc(CN2CC[C@@H](N3CCCCC3)[C@@H](F)C2)ccc1N(C)C ZINC001139674518 1377931920 /nfs/dbraw/zinc/93/19/20/1377931920.db2.gz UMVLMVHAORTWEN-AZUAARDMSA-N 0 3 333.495 3.459 20 10 EGCDHN C[N@@H+]1CCN(Cc2c([O-])cccc2Br)C2(CCCC2)C1 ZINC001140101819 1378007801 /nfs/dbraw/zinc/00/78/01/1378007801.db2.gz AHUUSYZUEXIDJC-UHFFFAOYSA-N 0 3 339.277 3.215 20 10 EGCDHN C[N@H+]1CCN(Cc2c([O-])cccc2Br)C2(CCCC2)C1 ZINC001140101819 1378007802 /nfs/dbraw/zinc/00/78/02/1378007802.db2.gz AHUUSYZUEXIDJC-UHFFFAOYSA-N 0 3 339.277 3.215 20 10 EGCDHN COC(=O)c1cccc2c1CCN(Cc1c(C)ccc(C)c1O)C2 ZINC001140184667 1378028486 /nfs/dbraw/zinc/02/84/86/1378028486.db2.gz DIOQAJZOLVFNAZ-UHFFFAOYSA-N 0 3 325.408 3.354 20 10 EGCDHN [O-]c1cc(F)cc(F)c1C[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001140583660 1378090430 /nfs/dbraw/zinc/09/04/30/1378090430.db2.gz QBFHJTUIXNFQCV-IYBDPMFKSA-N 0 3 344.405 3.234 20 10 EGCDHN [O-]c1cc(F)cc(F)c1C[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001140583660 1378090431 /nfs/dbraw/zinc/09/04/31/1378090431.db2.gz QBFHJTUIXNFQCV-IYBDPMFKSA-N 0 3 344.405 3.234 20 10 EGCDHN CC[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)ccc1[O-] ZINC001273285282 1378094554 /nfs/dbraw/zinc/09/45/54/1378094554.db2.gz PBJACZSEMBVALG-LIRRHRJNSA-N 0 3 334.435 3.287 20 10 EGCDHN CC[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(F)ccc1[O-] ZINC001273285282 1378094556 /nfs/dbraw/zinc/09/45/56/1378094556.db2.gz PBJACZSEMBVALG-LIRRHRJNSA-N 0 3 334.435 3.287 20 10 EGCDHN Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)c([O-])c1 ZINC001140954322 1378192101 /nfs/dbraw/zinc/19/21/01/1378192101.db2.gz QBKMGUGCHYNEKE-XIRDDKMYSA-N 0 3 346.471 3.436 20 10 EGCDHN Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)c([O-])c1 ZINC001140954322 1378192105 /nfs/dbraw/zinc/19/21/05/1378192105.db2.gz QBKMGUGCHYNEKE-XIRDDKMYSA-N 0 3 346.471 3.436 20 10 EGCDHN CCN(Cc1ccc(OC)cc1)Cc1c(O)cc(OC)cc1OC ZINC001141030717 1378212684 /nfs/dbraw/zinc/21/26/84/1378212684.db2.gz IGURHFLKPYTUGO-UHFFFAOYSA-N 0 3 331.412 3.440 20 10 EGCDHN CC[N@H+](Cc1ccc(OC)cc1)Cc1c([O-])cc(OC)cc1OC ZINC001141030717 1378212687 /nfs/dbraw/zinc/21/26/87/1378212687.db2.gz IGURHFLKPYTUGO-UHFFFAOYSA-N 0 3 331.412 3.440 20 10 EGCDHN CC[N@@H+](Cc1ccc(OC)cc1)Cc1c([O-])cc(OC)cc1OC ZINC001141030717 1378212689 /nfs/dbraw/zinc/21/26/89/1378212689.db2.gz IGURHFLKPYTUGO-UHFFFAOYSA-N 0 3 331.412 3.440 20 10 EGCDHN COc1cc([O-])c(C[NH+]2CCC(c3ccncc3)CC2)c(OC)c1 ZINC001141028372 1378212710 /nfs/dbraw/zinc/21/27/10/1378212710.db2.gz MIUZAHACLNLHJB-UHFFFAOYSA-N 0 3 328.412 3.184 20 10 EGCDHN COc1cc([O-])c(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)c(OC)c1 ZINC001141028104 1378213000 /nfs/dbraw/zinc/21/30/00/1378213000.db2.gz BJYHAVWVAURTNS-MRXNPFEDSA-N 0 3 327.424 3.474 20 10 EGCDHN COc1cc([O-])c(C[N@H+]2CC[C@H](Cc3ccccc3)C2)c(OC)c1 ZINC001141028104 1378213003 /nfs/dbraw/zinc/21/30/03/1378213003.db2.gz BJYHAVWVAURTNS-MRXNPFEDSA-N 0 3 327.424 3.474 20 10 EGCDHN OCCN(Cc1cccs1)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141076610 1378232940 /nfs/dbraw/zinc/23/29/40/1378232940.db2.gz XAPSKHXEGMCZFY-UHFFFAOYSA-N 0 3 342.508 3.441 20 10 EGCDHN Cc1ccccc1O[C@H]1CCN(Cc2ccc3c(c2)OCCN3C)C1 ZINC001141142842 1378248358 /nfs/dbraw/zinc/24/83/58/1378248358.db2.gz CNEOQLKWQPSABR-SFHVURJKSA-N 0 3 338.451 3.477 20 10 EGCDHN COC[C@H]1Cn2nccc2CN(Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143108930 1378542283 /nfs/dbraw/zinc/54/22/83/1378542283.db2.gz ZOESPOMHRUEZAD-OAHLLOKOSA-N 0 3 343.471 3.165 20 10 EGCDHN Oc1cc(O)c(CN2CCSC[C@H]2c2ccc(F)cc2)c(O)c1 ZINC001144514570 1378739607 /nfs/dbraw/zinc/73/96/07/1378739607.db2.gz KYGUKXLPVTZBQL-HNNXBMFYSA-N 0 3 335.400 3.233 20 10 EGCDHN CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc(Cl)c3cccnc3c1[O-])C2 ZINC001169099801 1384107297 /nfs/dbraw/zinc/10/72/97/1384107297.db2.gz VXMUYYKFJBUQHL-ZSOGYDGISA-N 0 3 331.847 3.309 20 10 EGCDHN COc1ccc(Cl)c2c1C[C@H]([NH2+]Cc1ccc(O)cc1[O-])CC2 ZINC001171287370 1384486102 /nfs/dbraw/zinc/48/61/02/1384486102.db2.gz FEKFUCXZVLPJPK-GFCCVEGCSA-N 0 3 333.815 3.407 20 10 EGCDHN COCC[C@H](Cc1ccco1)NCc1cc(F)c(N(C)C)cc1F ZINC001329155995 1388994219 /nfs/dbraw/zinc/99/42/19/1388994219.db2.gz KQXVTXLEUXAZGO-CQSZACIVSA-N 0 3 338.398 3.361 20 10 EGCDHN C[C@@H](NCc1cc(F)c(N(C)C)cc1F)[C@@H](O)c1cccc(F)c1 ZINC001331272693 1389679913 /nfs/dbraw/zinc/67/99/13/1389679913.db2.gz UGOSTYNSRFZDST-ADLMAVQZSA-N 0 3 338.373 3.382 20 10 EGCDHN COc1cc(O)c(CN2CCC(OCCC(C)C)CC2)cc1OC ZINC000159868495 455411587 /nfs/dbraw/zinc/41/15/87/455411587.db2.gz WMDZUQDPJKMEKY-UHFFFAOYSA-N 0 3 337.460 3.437 20 10 EGCDHN CC(C)N1CC[C@@H](N[C@@H](C)c2ccc(N3CCCCC3)cc2)C1=O ZINC000089728914 454184221 /nfs/dbraw/zinc/18/42/21/454184221.db2.gz HWUDIVYKDUPNHG-QFBILLFUSA-N 0 3 329.488 3.337 20 10 EGCDHN COC(=O)COc1cccc(CN[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000089730597 454185149 /nfs/dbraw/zinc/18/51/49/454185149.db2.gz MDARCYFMBYVWTK-HNNXBMFYSA-N 0 3 342.439 3.155 20 10 EGCDHN O=C1CCCN1C1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000093087666 454680071 /nfs/dbraw/zinc/68/00/71/454680071.db2.gz NSQZJKAXKVCXOB-UHFFFAOYSA-N 0 3 341.499 3.264 20 10 EGCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1 ZINC000124187208 454704367 /nfs/dbraw/zinc/70/43/67/454704367.db2.gz CYNUTOHIWGDONA-MRXNPFEDSA-N 0 3 340.471 3.398 20 10 EGCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1 ZINC000124187208 454704370 /nfs/dbraw/zinc/70/43/70/454704370.db2.gz CYNUTOHIWGDONA-MRXNPFEDSA-N 0 3 340.471 3.398 20 10 EGCDHN Cc1ccc(O)c(CN2CCN(c3ncnc4ccsc43)CC2)c1 ZINC000093335894 454704517 /nfs/dbraw/zinc/70/45/17/454704517.db2.gz OTBDGRMYIUNVSU-UHFFFAOYSA-N 0 3 340.452 3.028 20 10 EGCDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1ccccc1[O-] ZINC000109772528 454835180 /nfs/dbraw/zinc/83/51/80/454835180.db2.gz JFKLWPVLYKCSSI-UHFFFAOYSA-N 0 3 343.383 3.069 20 10 EGCDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1ccccc1[O-] ZINC000109772528 454835182 /nfs/dbraw/zinc/83/51/82/454835182.db2.gz JFKLWPVLYKCSSI-UHFFFAOYSA-N 0 3 343.383 3.069 20 10 EGCDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)NCc1ccccc1 ZINC000177943185 454921493 /nfs/dbraw/zinc/92/14/93/454921493.db2.gz BHIDODJTUNQGHU-HOTGVXAUSA-N 0 3 325.456 3.108 20 10 EGCDHN CCOc1cccc(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2F)c1[O-] ZINC000114509029 454959362 /nfs/dbraw/zinc/95/93/62/454959362.db2.gz JOYKBZMTXAYAPN-GOSISDBHSA-N 0 3 337.366 3.066 20 10 EGCDHN CN(C)c1ccc(CN(C)Cc2cn(C)nc2-c2ccncc2)cc1 ZINC000155177775 454970905 /nfs/dbraw/zinc/97/09/05/454970905.db2.gz YRCUVCMJKMRINL-UHFFFAOYSA-N 0 3 335.455 3.180 20 10 EGCDHN CCN1CCN(c2ccc(CN[C@H](C)c3ccco3)cc2F)CC1 ZINC000155295342 454984297 /nfs/dbraw/zinc/98/42/97/454984297.db2.gz YZOSRVGFMCUGPG-OAHLLOKOSA-N 0 3 331.435 3.411 20 10 EGCDHN CC[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)c(F)c1)c1ccccc1[O-] ZINC000155705555 455034428 /nfs/dbraw/zinc/03/44/28/455034428.db2.gz CFTCXALYOWXTJY-SJKOYZFVSA-N 0 3 337.366 3.151 20 10 EGCDHN Cn1cccc1[C@@H]1CCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000179706468 455068807 /nfs/dbraw/zinc/06/88/07/455068807.db2.gz SUYDZBAXJCEIST-FQEVSTJZSA-N 0 3 325.456 3.199 20 10 EGCDHN CCC[N@H+](CCn1cnc2ccccc2c1=O)Cc1ccccc1[O-] ZINC000117338006 455083761 /nfs/dbraw/zinc/08/37/61/455083761.db2.gz GSMWMJGPEHGPIP-UHFFFAOYSA-N 0 3 337.423 3.014 20 10 EGCDHN CCC[N@@H+](CCn1cnc2ccccc2c1=O)Cc1ccccc1[O-] ZINC000117338006 455083764 /nfs/dbraw/zinc/08/37/64/455083764.db2.gz GSMWMJGPEHGPIP-UHFFFAOYSA-N 0 3 337.423 3.014 20 10 EGCDHN CCN1CCN(c2ccc(CN[C@@H](C)c3ccncc3)cc2F)CC1 ZINC000156632474 455140210 /nfs/dbraw/zinc/14/02/10/455140210.db2.gz QVICTRQFYCMRBQ-INIZCTEOSA-N 0 3 342.462 3.213 20 10 EGCDHN COC[C@H]1CCC[N@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000180198523 455147415 /nfs/dbraw/zinc/14/74/15/455147415.db2.gz FHPJCZAWNSGJKN-LBPRGKRZSA-N 0 3 328.250 3.322 20 10 EGCDHN COC[C@H]1CCC[N@@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000180198523 455147418 /nfs/dbraw/zinc/14/74/18/455147418.db2.gz FHPJCZAWNSGJKN-LBPRGKRZSA-N 0 3 328.250 3.322 20 10 EGCDHN CCCN(Cc1ccccc1O)[C@@H](C)C(=O)Nc1ccnn1C(C)C ZINC000157071638 455164024 /nfs/dbraw/zinc/16/40/24/455164024.db2.gz GGKZOVBSDYRJRX-HNNXBMFYSA-N 0 3 344.459 3.409 20 10 EGCDHN COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H](C)c3ccccc3[O-])C2)c1 ZINC000183543694 455304766 /nfs/dbraw/zinc/30/47/66/455304766.db2.gz OLHKMWYPYFGUCB-CABCVRRESA-N 0 3 342.439 3.339 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]C2CCN(C(=O)c3ccoc3)CC2)c([O-])c1 ZINC000184979846 455480539 /nfs/dbraw/zinc/48/05/39/455480539.db2.gz FFHCRGXNWGLHFT-AWEZNQCLSA-N 0 3 328.412 3.249 20 10 EGCDHN CCN1CCN(CCCC[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000185014387 455486637 /nfs/dbraw/zinc/48/66/37/455486637.db2.gz LMHPYOSHYBMGCS-HNNXBMFYSA-N 0 3 339.911 3.114 20 10 EGCDHN CCN1CCN(CCC[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])CC1 ZINC000185013929 455487031 /nfs/dbraw/zinc/48/70/31/455487031.db2.gz NOUICZSLNRVQGL-KRWDZBQOSA-N 0 3 341.499 3.224 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCO[C@H](C)C3)nc2)c([O-])c1 ZINC000185033500 455489232 /nfs/dbraw/zinc/48/92/32/455489232.db2.gz LMZBYKROWQCWHM-CVEARBPZSA-N 0 3 341.455 3.172 20 10 EGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C2CCN(Cc3ccncc3)CC2)c1 ZINC000185068743 455495983 /nfs/dbraw/zinc/49/59/83/455495983.db2.gz JJNUWVOBCRIUMI-MRXNPFEDSA-N 0 3 325.456 3.411 20 10 EGCDHN Cc1ccc(CN2CC[C@@H](NCc3cc(C)c(C)cc3O)C2=O)cc1 ZINC000191808548 455521833 /nfs/dbraw/zinc/52/18/33/455521833.db2.gz HAGITCFCEDHZCC-LJQANCHMSA-N 0 3 338.451 3.208 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCc2ccc(NC(C)=O)cc2)c1 ZINC000185338079 455543671 /nfs/dbraw/zinc/54/36/71/455543671.db2.gz FAHJCFKCLUPSPY-CYBMUJFWSA-N 0 3 328.412 3.253 20 10 EGCDHN C[C@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc2ccccc2c1[O-] ZINC000185367056 455549446 /nfs/dbraw/zinc/54/94/46/455549446.db2.gz OIHXJXBHAJNYFY-KRWDZBQOSA-N 0 3 341.499 3.224 20 10 EGCDHN Cc1ccc(O)c([C@H](C)N[C@@H]2CCN(c3ccccc3F)C2=O)c1 ZINC000186022430 455677681 /nfs/dbraw/zinc/67/76/81/455677681.db2.gz VBCCCIVGYUQVAZ-XJKSGUPXSA-N 0 3 328.387 3.296 20 10 EGCDHN C[C@H](N[C@H]1CCN(Cc2ccccc2)C1=O)c1ccc(N(C)C)cc1 ZINC000271541847 455678403 /nfs/dbraw/zinc/67/84/03/455678403.db2.gz YPMLCHXUTNWRBB-JXFKEZNVSA-N 0 3 337.467 3.204 20 10 EGCDHN CC(C)N1CCC(O)(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000268442675 455684862 /nfs/dbraw/zinc/68/48/62/455684862.db2.gz SKJTWGMNQHDDAR-UHFFFAOYSA-N 0 3 347.286 3.024 20 10 EGCDHN COc1ccc(O)c([C@H](C)N[C@H]2C[C@@H](C)N(c3ccccc3)C2=O)c1 ZINC000186081595 455689863 /nfs/dbraw/zinc/68/98/63/455689863.db2.gz HTQGJYYFPNTRHE-GLJUWKHASA-N 0 3 340.423 3.245 20 10 EGCDHN CC[C@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1ccccc1[O-] ZINC000271676966 455719861 /nfs/dbraw/zinc/71/98/61/455719861.db2.gz HQLIQVINLVYEAW-INIZCTEOSA-N 0 3 334.441 3.005 20 10 EGCDHN CCNC(=O)[C@H](C)[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000293870590 455799124 /nfs/dbraw/zinc/79/91/24/455799124.db2.gz UXRDVQQDLLOCOZ-MAUKXSAKSA-N 0 3 326.440 3.180 20 10 EGCDHN C[C@H]([NH2+][C@H](CCc1ccccc1)c1ccccc1[O-])C(=O)NCCF ZINC000294329472 455811517 /nfs/dbraw/zinc/81/15/17/455811517.db2.gz OWDVFXGNVQFKTB-MAUKXSAKSA-N 0 3 344.430 3.130 20 10 EGCDHN CCOc1ccc(O)c(CN(Cc2cccc(C(N)=O)c2)C2CC2)c1 ZINC000294877234 455831339 /nfs/dbraw/zinc/83/13/39/455831339.db2.gz VHLYADNLRZZLMH-UHFFFAOYSA-N 0 3 340.423 3.054 20 10 EGCDHN CC[C@@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)c1ccccc1[O-] ZINC000295114603 455838549 /nfs/dbraw/zinc/83/85/49/455838549.db2.gz MCXFYLZUIYSBPH-ZBCRRDGASA-N 0 3 325.474 3.036 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCCn2cccn2)c1[O-] ZINC000186973958 455858323 /nfs/dbraw/zinc/85/83/23/455858323.db2.gz NPLSVGYOAUPIKY-LBPRGKRZSA-N 0 3 338.249 3.401 20 10 EGCDHN CC[C@@H](C)N1CCN(Cc2ccc(N3CCC(OC)CC3)cc2)CC1 ZINC000296088433 455868637 /nfs/dbraw/zinc/86/86/37/455868637.db2.gz PPLKKRCFSVUQLL-GOSISDBHSA-N 0 3 345.531 3.218 20 10 EGCDHN [O-]c1ccccc1C[NH2+]CCc1ccc(OCC(F)(F)F)nc1 ZINC000187572384 455926359 /nfs/dbraw/zinc/92/63/59/455926359.db2.gz CZWUACQKCXLPFO-UHFFFAOYSA-N 0 3 326.318 3.061 20 10 EGCDHN COc1cc([O-])c(C[NH2+][C@H](C)[C@H](OC)c2ccccc2F)cc1OC ZINC000272453276 455955216 /nfs/dbraw/zinc/95/52/16/455955216.db2.gz WNCMCMNLIHDTCG-BLVKFPJESA-N 0 3 349.402 3.414 20 10 EGCDHN Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCc4cccc([O-])c43)C2=O)cc1 ZINC000296576761 455978098 /nfs/dbraw/zinc/97/80/98/455978098.db2.gz VPXJDVPSWFBMJV-MSOLQXFVSA-N 0 3 336.435 3.079 20 10 EGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH+]1CCC2(CC1)OCCO2 ZINC000271038550 456107510 /nfs/dbraw/zinc/10/75/10/456107510.db2.gz LJUDTNSSCSISRS-UHFFFAOYSA-N 0 3 325.408 3.398 20 10 EGCDHN CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)Cc1ccccc1[O-] ZINC000289377952 456123686 /nfs/dbraw/zinc/12/36/86/456123686.db2.gz CAYJJYMUXPATBE-IBGZPJMESA-N 0 3 325.456 3.274 20 10 EGCDHN CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)Cc1ccccc1[O-] ZINC000289377952 456123691 /nfs/dbraw/zinc/12/36/91/456123691.db2.gz CAYJJYMUXPATBE-IBGZPJMESA-N 0 3 325.456 3.274 20 10 EGCDHN COc1cc(O)c(CN(C)C[C@H]2OCCc3ccccc32)cc1OC ZINC000271106403 456127875 /nfs/dbraw/zinc/12/78/75/456127875.db2.gz RXCPBPVKYSRRQY-HXUWFJFHSA-N 0 3 343.423 3.155 20 10 EGCDHN COc1cccc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c1[O-] ZINC000289649638 456134645 /nfs/dbraw/zinc/13/46/45/456134645.db2.gz MSVZSIUWBOWAKD-QRVBRYPASA-N 0 3 339.435 3.405 20 10 EGCDHN COc1cccc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c1[O-] ZINC000289649638 456134650 /nfs/dbraw/zinc/13/46/50/456134650.db2.gz MSVZSIUWBOWAKD-QRVBRYPASA-N 0 3 339.435 3.405 20 10 EGCDHN COc1cccc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c1[O-] ZINC000289649632 456134819 /nfs/dbraw/zinc/13/48/19/456134819.db2.gz MSVZSIUWBOWAKD-GUDVDZBRSA-N 0 3 339.435 3.405 20 10 EGCDHN COc1cccc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c1[O-] ZINC000289649632 456134823 /nfs/dbraw/zinc/13/48/23/456134823.db2.gz MSVZSIUWBOWAKD-GUDVDZBRSA-N 0 3 339.435 3.405 20 10 EGCDHN CCOc1cccc(CN2CCC[C@H](c3noc(C4CC4)n3)C2)c1O ZINC000271242123 456188220 /nfs/dbraw/zinc/18/82/20/456188220.db2.gz YXRFSEQLKOZRDV-HNNXBMFYSA-N 0 3 343.427 3.431 20 10 EGCDHN COc1cc(OC)cc([C@@H](O)C[NH2+][C@@H](C)c2ccc(C)c(C)c2[O-])c1 ZINC000273552534 456238046 /nfs/dbraw/zinc/23/80/46/456238046.db2.gz GDVPYBWJCSMLRL-LIRRHRJNSA-N 0 3 345.439 3.410 20 10 EGCDHN C[NH+](C)CCCOc1cnccc1CNCc1cccc(Cl)c1[O-] ZINC000290178993 456259568 /nfs/dbraw/zinc/25/95/68/456259568.db2.gz NPCJSZYVHWHETB-UHFFFAOYSA-N 0 3 349.862 3.061 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)Cn2cccn2)c1[O-] ZINC000275332063 456273186 /nfs/dbraw/zinc/27/31/86/456273186.db2.gz NEMAHWNWCZPESL-NEPJUHHUSA-N 0 3 338.249 3.399 20 10 EGCDHN COc1cc(O)c(CN2CCC[C@H]2c2c(C)n[nH]c2C)cc1OC ZINC000290326967 456292201 /nfs/dbraw/zinc/29/22/01/456292201.db2.gz DLPFHMUEMMQIEM-AWEZNQCLSA-N 0 3 331.416 3.086 20 10 EGCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@H]2Cn2cnc3ccccc32)c1 ZINC000290523213 456353269 /nfs/dbraw/zinc/35/32/69/456353269.db2.gz QDFOODQWQNSXJN-INIZCTEOSA-N 0 3 337.423 3.415 20 10 EGCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@H]2Cn2cnc3ccccc32)c1 ZINC000290523213 456353275 /nfs/dbraw/zinc/35/32/75/456353275.db2.gz QDFOODQWQNSXJN-INIZCTEOSA-N 0 3 337.423 3.415 20 10 EGCDHN COc1ccc(N2CCCN(C[C@@H](O)c3ccccc3F)CC2)cc1 ZINC000303118609 456446304 /nfs/dbraw/zinc/44/63/04/456446304.db2.gz XPNQBEOEBWJCPV-HXUWFJFHSA-N 0 3 344.430 3.080 20 10 EGCDHN Cc1[nH]ncc1CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000298662979 456511287 /nfs/dbraw/zinc/51/12/87/456511287.db2.gz DKLYKPWLKOVPAJ-UHFFFAOYSA-N 0 3 341.459 3.050 20 10 EGCDHN O=C1CCCN1[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000276786761 456579608 /nfs/dbraw/zinc/57/96/08/456579608.db2.gz KKUPMAPFPHHYPB-LJQANCHMSA-N 0 3 336.435 3.256 20 10 EGCDHN O=C1CCCN1[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000276786761 456579611 /nfs/dbraw/zinc/57/96/11/456579611.db2.gz KKUPMAPFPHHYPB-LJQANCHMSA-N 0 3 336.435 3.256 20 10 EGCDHN C[C@H]([NH2+]C[C@@H]1CN2CCC[C@@H]2CO1)c1ccc2ccccc2c1[O-] ZINC000325761997 456686755 /nfs/dbraw/zinc/68/67/55/456686755.db2.gz BFBXSRBYXNVDJW-USXIJHARSA-N 0 3 326.440 3.059 20 10 EGCDHN CCN(CC)c1ccc(CN2CC[C@H](c3nccn3C)C2)cc1F ZINC000367710142 457974835 /nfs/dbraw/zinc/97/48/35/457974835.db2.gz YMBOXWXPWQESOR-INIZCTEOSA-N 0 3 330.451 3.395 20 10 EGCDHN C[C@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ncc[nH]1 ZINC000367754359 457979339 /nfs/dbraw/zinc/97/93/39/457979339.db2.gz MSFVYXHROKZINN-LBPRGKRZSA-N 0 3 336.386 3.331 20 10 EGCDHN OC[C@H]1C=C[C@@H](NCc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000377396885 458499751 /nfs/dbraw/zinc/49/97/51/458499751.db2.gz DMQPPRDTTABZQO-PZJWPPBQSA-N 0 3 334.463 3.276 20 10 EGCDHN Cc1c2ccccc2n(C)c1CNC(=O)Nc1cccc2c1CCNC2 ZINC000571533852 459569402 /nfs/dbraw/zinc/56/94/02/459569402.db2.gz YRRXTNCYIDPNOI-UHFFFAOYSA-N 0 3 348.450 3.454 20 10 EGCDHN C[C@@H](NCc1n[nH]c2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000727468932 574669981 /nfs/dbraw/zinc/66/99/81/574669981.db2.gz PNJZGKYORGCCMO-OAHLLOKOSA-N 0 3 336.439 3.250 20 10 EGCDHN C[C@@H](NCc1[nH]nc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000727468932 574669983 /nfs/dbraw/zinc/66/99/83/574669983.db2.gz PNJZGKYORGCCMO-OAHLLOKOSA-N 0 3 336.439 3.250 20 10 EGCDHN CN(C)c1ccc(CNC(=O)CN2CCCC3(CCCCC3)C2)cc1 ZINC000732214935 575246074 /nfs/dbraw/zinc/24/60/74/575246074.db2.gz WGFHEXIBUSBCNG-UHFFFAOYSA-N 0 3 343.515 3.415 20 10 EGCDHN CC(C)(C)C[C@@H](O)CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000735324634 575644009 /nfs/dbraw/zinc/64/40/09/575644009.db2.gz XAUJVGLUVHMGHN-MRXNPFEDSA-N 0 3 349.475 3.472 20 10 EGCDHN C[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1 ZINC000736348689 575941176 /nfs/dbraw/zinc/94/11/76/575941176.db2.gz UJRWXPNWAJQCGG-QFBILLFUSA-N 0 3 337.467 3.239 20 10 EGCDHN CCc1cc(CN2CCN(CC(C)(C)O)CC2)c(O)c(C(C)(C)C)c1 ZINC000740758810 576623876 /nfs/dbraw/zinc/62/38/76/576623876.db2.gz CVXDOUCISUUWCW-UHFFFAOYSA-N 0 3 348.531 3.141 20 10 EGCDHN C[C@@H](C(=O)NCc1c(O)ccc2c1CCCC2)N1[C@H](C)CC[C@H]1C ZINC000743716286 576815182 /nfs/dbraw/zinc/81/51/82/576815182.db2.gz ODMDMRBEFVVVFA-KFWWJZLASA-N 0 3 330.472 3.149 20 10 EGCDHN COc1ccc(O)c(CN2CC[C@@]3(C2)CC(=O)c2ccccc2O3)c1 ZINC000877590017 1299418134 /nfs/dbraw/zinc/41/81/34/1299418134.db2.gz WAZPQFLCKXRHDH-FQEVSTJZSA-N 0 3 339.391 3.011 20 10 EGCDHN C[C@@H]1CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@]1(C)CO ZINC000827699830 1292358678 /nfs/dbraw/zinc/35/86/78/1292358678.db2.gz MPVZPFWAJYZVBO-DNVCBOLYSA-N 0 3 347.459 3.035 20 10 EGCDHN C[C@H]1CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@]1(C)CO ZINC000827699831 1292359213 /nfs/dbraw/zinc/35/92/13/1292359213.db2.gz MPVZPFWAJYZVBO-HNAYVOBHSA-N 0 3 347.459 3.035 20 10 EGCDHN COC(=O)[C@H]1C[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000827812042 1292380879 /nfs/dbraw/zinc/38/08/79/1292380879.db2.gz ANQUYVDKEFNWKP-QAQDUYKDSA-N 0 3 341.407 3.012 20 10 EGCDHN COC(=O)C[C@H]1CSCCN1Cc1ccc(N2CCCCC2)cc1 ZINC000093610484 1292925268 /nfs/dbraw/zinc/92/52/68/1292925268.db2.gz JPQBOXVXNAHGCK-SFHVURJKSA-N 0 3 348.512 3.157 20 10 EGCDHN Cn1c2ccc(F)cc2nc1CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834658520 1293128960 /nfs/dbraw/zinc/12/89/60/1293128960.db2.gz WWSBHAQOKIWRGF-CQSZACIVSA-N 0 3 325.387 3.238 20 10 EGCDHN [O-]c1cccc2c1[C@H]([NH2+]CCCc1ccc3c(c1)OCCO3)CC2 ZINC000834680877 1293132484 /nfs/dbraw/zinc/13/24/84/1293132484.db2.gz NFEZGZMCTHSSEO-MRXNPFEDSA-N 0 3 325.408 3.373 20 10 EGCDHN CC(C)(C)O[C@@H]1C[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)[C@@H]1n1cccn1 ZINC000834902300 1293170181 /nfs/dbraw/zinc/17/01/81/1293170181.db2.gz GPUTZZRJUNSCRR-BVYOLEPJSA-N 0 3 341.455 3.363 20 10 EGCDHN C[C@H](N[C@@H]1C[C@@H]2CCCCN2C1=O)c1ccc(N2CCCCC2)cc1 ZINC000834916379 1293175945 /nfs/dbraw/zinc/17/59/45/1293175945.db2.gz WWJNRSGKURTDSB-FFZOFVMBSA-N 0 3 341.499 3.481 20 10 EGCDHN CC[C@@H]([NH2+]CC1(N2CCOCC2)CCCCC1)c1ccccc1[O-] ZINC000154872774 1294073611 /nfs/dbraw/zinc/07/36/11/1294073611.db2.gz LXRWZOMEGDUIME-GOSISDBHSA-N 0 3 332.488 3.468 20 10 EGCDHN COc1cc(CN(C)CCN(C)C(=O)OC(C)(C)C)c(O)cc1C ZINC000160565415 1294271333 /nfs/dbraw/zinc/27/13/33/1294271333.db2.gz CKGVOXGZRJBGNS-UHFFFAOYSA-N 0 3 338.448 3.008 20 10 EGCDHN COCCOC[C@H]1CC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000173397939 1294460784 /nfs/dbraw/zinc/46/07/84/1294460784.db2.gz BVYNJDWPXNZXFT-HNNXBMFYSA-N 0 3 345.439 3.039 20 10 EGCDHN COCCOC[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000173397939 1294460787 /nfs/dbraw/zinc/46/07/87/1294460787.db2.gz BVYNJDWPXNZXFT-HNNXBMFYSA-N 0 3 345.439 3.039 20 10 EGCDHN COc1cccc([C@H](C)N2CCN(Cc3ccccc3O)CC2)c1 ZINC000179569975 1294804967 /nfs/dbraw/zinc/80/49/67/1294804967.db2.gz KQPWONSMKOYAGW-INIZCTEOSA-N 0 3 326.440 3.280 20 10 EGCDHN O=C(NC[C@@H]1CCCCN1Cc1cc(F)ccc1O)c1ccccc1 ZINC000180027499 1294854564 /nfs/dbraw/zinc/85/45/64/1294854564.db2.gz KMVHDUQLMFPKCU-SFHVURJKSA-N 0 3 342.414 3.316 20 10 EGCDHN COc1ccc(C[N@H+](Cc2ccccc2[O-])[C@H](CO)C(C)C)cc1 ZINC000181155042 1294943914 /nfs/dbraw/zinc/94/39/14/1294943914.db2.gz OWFGMNIGCBBSME-LJQANCHMSA-N 0 3 329.440 3.420 20 10 EGCDHN COc1ccc(C[N@@H+](Cc2ccccc2[O-])[C@H](CO)C(C)C)cc1 ZINC000181155042 1294943925 /nfs/dbraw/zinc/94/39/25/1294943925.db2.gz OWFGMNIGCBBSME-LJQANCHMSA-N 0 3 329.440 3.420 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]Cc2cccc(CS(C)(=O)=O)c2)c([O-])c1 ZINC000185263558 1295250841 /nfs/dbraw/zinc/25/08/41/1295250841.db2.gz IRHSJQICTWBUAV-AWEZNQCLSA-N 0 3 333.453 3.096 20 10 EGCDHN C[C@H](Nc1ccc(N2CCN(C)CC2)cc1)c1cc(F)ccc1O ZINC000186401604 1295323360 /nfs/dbraw/zinc/32/33/60/1295323360.db2.gz LRVKMJSHLGUXCB-AWEZNQCLSA-N 0 3 329.419 3.456 20 10 EGCDHN CCOc1cccc(CN2CCN(C)C[C@H]2c2ccccc2)c1O ZINC000246352018 1296349224 /nfs/dbraw/zinc/34/92/24/1296349224.db2.gz WXACJVDAFBJHBY-SFHVURJKSA-N 0 3 326.440 3.280 20 10 EGCDHN CC(C)(C)c1cc(O)c(O)c(CN2CCS[C@H]3COCC[C@H]32)c1 ZINC000246838530 1296372588 /nfs/dbraw/zinc/37/25/88/1296372588.db2.gz KJAOYSNDUKCBRU-ZBFHGGJFSA-N 0 3 337.485 3.102 20 10 EGCDHN COc1ccc(CNCc2sc(C)nc2C)cc1Cn1cccn1 ZINC000873060697 1297253849 /nfs/dbraw/zinc/25/38/49/1297253849.db2.gz AAJMMEAIARVRJG-UHFFFAOYSA-N 0 3 342.468 3.303 20 10 EGCDHN Cc1cc(CNCC(C)(C)S(C)(=O)=O)c(C)n1-c1ccccc1 ZINC000390334307 1297624119 /nfs/dbraw/zinc/62/41/19/1297624119.db2.gz KYHWRSUNAWUPCB-UHFFFAOYSA-N 0 3 334.485 3.007 20 10 EGCDHN Cc1cc(Br)cc(CN2CC[C@@H](OC(C)C)C2)c1O ZINC000706558756 1298220942 /nfs/dbraw/zinc/22/09/42/1298220942.db2.gz ZVLAIQIRPGXILI-CQSZACIVSA-N 0 3 328.250 3.462 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@@H](OC(C)C)C2)c1[O-] ZINC000706558756 1298220953 /nfs/dbraw/zinc/22/09/53/1298220953.db2.gz ZVLAIQIRPGXILI-CQSZACIVSA-N 0 3 328.250 3.462 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](OC(C)C)C2)c1[O-] ZINC000706558756 1298220958 /nfs/dbraw/zinc/22/09/58/1298220958.db2.gz ZVLAIQIRPGXILI-CQSZACIVSA-N 0 3 328.250 3.462 20 10 EGCDHN Cc1ccc(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)c([O-])c1 ZINC000876649102 1298896302 /nfs/dbraw/zinc/89/63/02/1298896302.db2.gz LWVWIMKLRKDEPU-UHFFFAOYSA-N 0 3 330.472 3.362 20 10 EGCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000876690828 1298923410 /nfs/dbraw/zinc/92/34/10/1298923410.db2.gz SGTMQMLCRYXHDU-HNNXBMFYSA-N 0 3 334.460 3.389 20 10 EGCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000876690828 1298923416 /nfs/dbraw/zinc/92/34/16/1298923416.db2.gz SGTMQMLCRYXHDU-HNNXBMFYSA-N 0 3 334.460 3.389 20 10 EGCDHN COc1ccccc1N1CC[C@H](C[NH2+]Cc2c(C)cccc2[O-])C1 ZINC000876999351 1299108851 /nfs/dbraw/zinc/10/88/51/1299108851.db2.gz SVPJJPPIMJQZTA-MRXNPFEDSA-N 0 3 326.440 3.325 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCc2ccccc2OCCCCO)c1 ZINC000877533364 1299375375 /nfs/dbraw/zinc/37/53/75/1299375375.db2.gz NOCVUKVFHBNVRM-HNNXBMFYSA-N 0 3 345.439 3.403 20 10 EGCDHN C[C@H]1CCN(CC[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000753572793 1299977719 /nfs/dbraw/zinc/97/77/19/1299977719.db2.gz YLKQIMKOXVLQLF-KRWDZBQOSA-N 0 3 340.467 3.403 20 10 EGCDHN CC(C)C(=O)NCCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000756041922 1300431028 /nfs/dbraw/zinc/43/10/28/1300431028.db2.gz RJQJLGURHBHXIN-UHFFFAOYSA-N 0 3 326.440 3.311 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)C3CC3)CC2)c2c1c(F)ccc2[O-] ZINC000756402812 1300484745 /nfs/dbraw/zinc/48/47/45/1300484745.db2.gz ZAPFVGVPWFIFKW-ABAIWWIYSA-N 0 3 332.419 3.070 20 10 EGCDHN C[C@@H]([NH2+][C@@H](CC(=O)N(C)C)c1ccccc1)c1cc(F)ccc1[O-] ZINC000756455386 1300496119 /nfs/dbraw/zinc/49/61/19/1300496119.db2.gz SFNAWHKIGFGCDA-DYVFJYSZSA-N 0 3 330.403 3.402 20 10 EGCDHN C[C@H]1C[C@@H]([NH2+]CCNC(=O)c2ccccc2F)c2c1c(F)ccc2[O-] ZINC000756460736 1300497665 /nfs/dbraw/zinc/49/76/65/1300497665.db2.gz RAKLIJHABBERGN-XHDPSFHLSA-N 0 3 346.377 3.238 20 10 EGCDHN C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cc(F)cc(F)c1[O-] ZINC000756482875 1300503023 /nfs/dbraw/zinc/50/30/23/1300503023.db2.gz JQEKBSHVIDJVAQ-MJBXVCDLSA-N 0 3 342.430 3.210 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)c2c1c(F)ccc2[O-] ZINC000756655526 1300542453 /nfs/dbraw/zinc/54/24/53/1300542453.db2.gz QNEQLOJWPIWBRD-IVMMDQJWSA-N 0 3 346.446 3.460 20 10 EGCDHN COc1ccc(O)c([C@@H](C)NC2(c3ccc4c(c3)OCO4)CC2)c1 ZINC000756850780 1300576756 /nfs/dbraw/zinc/57/67/56/1300576756.db2.gz OGTFZGXSWINQFT-GFCCVEGCSA-N 0 3 327.380 3.469 20 10 EGCDHN CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000879648636 1300649743 /nfs/dbraw/zinc/64/97/43/1300649743.db2.gz XBNIOMUVHAFYAK-OLZOCXBDSA-N 0 3 326.396 3.273 20 10 EGCDHN COCC(=O)Nc1cccc(CN[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000764761230 1302128717 /nfs/dbraw/zinc/12/87/17/1302128717.db2.gz LBJDHCKEWNHDQM-HNNXBMFYSA-N 0 3 341.455 3.188 20 10 EGCDHN C[C@@H](NCc1ccc(C(N)=O)nc1)c1ccc(N2CCCCC2)cc1 ZINC000766532370 1302470175 /nfs/dbraw/zinc/47/01/75/1302470175.db2.gz YFKHALKOWNRWSW-OAHLLOKOSA-N 0 3 338.455 3.022 20 10 EGCDHN Oc1ccccc1CN(Cc1n[nH]c2ccccc21)C[C@H]1CCCO1 ZINC000768160868 1302839016 /nfs/dbraw/zinc/83/90/16/1302839016.db2.gz BAWCQKGQRBKCBI-MRXNPFEDSA-N 0 3 337.423 3.450 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1Cc1ccccc1)[C@@H](O)CO2 ZINC000768442435 1302904072 /nfs/dbraw/zinc/90/40/72/1302904072.db2.gz WBINOIYJAFWCSY-APWZRJJASA-N 0 3 325.408 3.025 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1Cc1ccccc1)[C@@H](O)CO2 ZINC000768442435 1302904079 /nfs/dbraw/zinc/90/40/79/1302904079.db2.gz WBINOIYJAFWCSY-APWZRJJASA-N 0 3 325.408 3.025 20 10 EGCDHN C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768447908 1302909108 /nfs/dbraw/zinc/90/91/08/1302909108.db2.gz RKJWBHAYWHBBIG-UHYGZKCKSA-N 0 3 343.398 3.335 20 10 EGCDHN C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768447908 1302909119 /nfs/dbraw/zinc/90/91/19/1302909119.db2.gz RKJWBHAYWHBBIG-UHYGZKCKSA-N 0 3 343.398 3.335 20 10 EGCDHN Cc1csc(C2(NCc3cc4c(cc3O)OC[C@H]4O)CCCC2)n1 ZINC000768465460 1302913879 /nfs/dbraw/zinc/91/38/79/1302913879.db2.gz NFAJOLKHQILIGJ-OAHLLOKOSA-N 0 3 346.452 3.142 20 10 EGCDHN CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(OCC)cc2[O-])C1 ZINC000769007606 1303031285 /nfs/dbraw/zinc/03/12/85/1303031285.db2.gz VSMDXRVWVBGFBD-DOTOQJQBSA-N 0 3 348.487 3.308 20 10 EGCDHN CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(OCC)cc2[O-])C1 ZINC000769007606 1303031288 /nfs/dbraw/zinc/03/12/88/1303031288.db2.gz VSMDXRVWVBGFBD-DOTOQJQBSA-N 0 3 348.487 3.308 20 10 EGCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000769499913 1303127723 /nfs/dbraw/zinc/12/77/23/1303127723.db2.gz SKSBMOHKHYDOKP-QGZVFWFLSA-N 0 3 327.424 3.440 20 10 EGCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000769499913 1303127733 /nfs/dbraw/zinc/12/77/33/1303127733.db2.gz SKSBMOHKHYDOKP-QGZVFWFLSA-N 0 3 327.424 3.440 20 10 EGCDHN CCOc1ccc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c([O-])c1 ZINC000769544089 1303138236 /nfs/dbraw/zinc/13/82/36/1303138236.db2.gz SSPGWVOAVWAJBT-IBGZPJMESA-N 0 3 349.471 3.341 20 10 EGCDHN COc1ccc(CN[C@H]2CC(=O)N(c3c(F)cccc3F)C2)cc1C ZINC000770748488 1303313299 /nfs/dbraw/zinc/31/32/99/1303313299.db2.gz GGDJCNMEOWICLR-AWEZNQCLSA-N 0 3 346.377 3.177 20 10 EGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000770752364 1303314327 /nfs/dbraw/zinc/31/43/27/1303314327.db2.gz NUEAIQOMGVSDLJ-PZJWPPBQSA-N 0 3 339.435 3.487 20 10 EGCDHN COc1cc(Br)cc(C[NH2+]CC(C)(C)CCCO)c1[O-] ZINC000771896444 1303456929 /nfs/dbraw/zinc/45/69/29/1303456929.db2.gz AMLMIALAKNRRLB-UHFFFAOYSA-N 0 3 346.265 3.052 20 10 EGCDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1cccnc1Cl ZINC000774485219 1303816665 /nfs/dbraw/zinc/81/66/65/1303816665.db2.gz SKGLHNCJBPIEBN-STQMWFEESA-N 0 3 346.862 3.479 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+](CCO)C2CCCC2)c1[O-] ZINC000775637263 1304000433 /nfs/dbraw/zinc/00/04/33/1304000433.db2.gz MYBXUMJLXLYYOY-UHFFFAOYSA-N 0 3 328.250 3.200 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+](CCO)C2CCCC2)c1[O-] ZINC000775637263 1304000430 /nfs/dbraw/zinc/00/04/30/1304000430.db2.gz MYBXUMJLXLYYOY-UHFFFAOYSA-N 0 3 328.250 3.200 20 10 EGCDHN Cc1cc(Br)cc(C[NH+]2CCC(CCO)CC2)c1[O-] ZINC000775648398 1304003018 /nfs/dbraw/zinc/00/30/18/1304003018.db2.gz SZNKUYIUYFESNA-UHFFFAOYSA-N 0 3 328.250 3.058 20 10 EGCDHN CCOc1ccccc1NC(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775834009 1304046984 /nfs/dbraw/zinc/04/69/84/1304046984.db2.gz ODHLAGROUNTXGP-OAHLLOKOSA-N 0 3 341.455 3.441 20 10 EGCDHN C[C@@H](NCC(=O)N1c2ccccc2C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000775837037 1304048228 /nfs/dbraw/zinc/04/82/28/1304048228.db2.gz QPPDZADUUCUWHT-JKSUJKDBSA-N 0 3 337.467 3.381 20 10 EGCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776589760 1304176508 /nfs/dbraw/zinc/17/65/08/1304176508.db2.gz WJTSYHQXMOWOLC-GOSISDBHSA-N 0 3 330.384 3.246 20 10 EGCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776589760 1304176512 /nfs/dbraw/zinc/17/65/12/1304176512.db2.gz WJTSYHQXMOWOLC-GOSISDBHSA-N 0 3 330.384 3.246 20 10 EGCDHN CC(C)c1[nH]ccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891249807 1305000122 /nfs/dbraw/zinc/00/01/22/1305000122.db2.gz SXVAOTQGMWHBFP-SFHVURJKSA-N 0 3 342.487 3.237 20 10 EGCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@]2(C)CC=CCC2)N(C)C)cc1 ZINC000891248924 1305000139 /nfs/dbraw/zinc/00/01/39/1305000139.db2.gz OQSPVDAYPUJVKM-QUCCMNQESA-N 0 3 329.488 3.218 20 10 EGCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CC23CCCC3)N(C)C)cc1 ZINC000891252658 1305000181 /nfs/dbraw/zinc/00/01/81/1305000181.db2.gz LWNGBFWGZCFWSE-ROUUACIJSA-N 0 3 329.488 3.052 20 10 EGCDHN CSc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC000891252748 1305000430 /nfs/dbraw/zinc/00/04/30/1305000430.db2.gz NLZIRTOWDZORRL-HNNXBMFYSA-N 0 3 347.484 3.100 20 10 EGCDHN CSc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)co1 ZINC000891248509 1305000443 /nfs/dbraw/zinc/00/04/43/1305000443.db2.gz XOLLADWBSHLDJY-INIZCTEOSA-N 0 3 347.484 3.100 20 10 EGCDHN Cc1cscc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891253368 1305000691 /nfs/dbraw/zinc/00/06/91/1305000691.db2.gz RRTQUJMNVXLRJE-KRWDZBQOSA-N 0 3 331.485 3.155 20 10 EGCDHN COc1ccc(CN(C)Cc2ccc(OC)c(OC)c2O)cc1F ZINC000891510098 1305072983 /nfs/dbraw/zinc/07/29/83/1305072983.db2.gz VLDGXPFXOJZHPB-UHFFFAOYSA-N 0 3 335.375 3.189 20 10 EGCDHN CCC[N@H+](Cc1ccc(OCC(=O)OC)cc1)Cc1ccccc1[O-] ZINC000783443897 1305093457 /nfs/dbraw/zinc/09/34/57/1305093457.db2.gz BBGZOSXSBVJJEX-UHFFFAOYSA-N 0 3 343.423 3.356 20 10 EGCDHN CCC[N@@H+](Cc1ccc(OCC(=O)OC)cc1)Cc1ccccc1[O-] ZINC000783443897 1305093463 /nfs/dbraw/zinc/09/34/63/1305093463.db2.gz BBGZOSXSBVJJEX-UHFFFAOYSA-N 0 3 343.423 3.356 20 10 EGCDHN Cc1cccc([C@@H]2CC[N@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C2)c1 ZINC000784026877 1305179034 /nfs/dbraw/zinc/17/90/34/1305179034.db2.gz PSJZJHQVBFXUQD-DNVCBOLYSA-N 0 3 325.408 3.116 20 10 EGCDHN Cc1cccc([C@@H]2CC[N@@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C2)c1 ZINC000784026877 1305179035 /nfs/dbraw/zinc/17/90/35/1305179035.db2.gz PSJZJHQVBFXUQD-DNVCBOLYSA-N 0 3 325.408 3.116 20 10 EGCDHN Cc1ccc([C@@H](C)NCc2ccc(S(C)(=O)=O)s2)c(O)c1 ZINC000786956516 1305665881 /nfs/dbraw/zinc/66/58/81/1305665881.db2.gz FYQLNTSDQPLARD-LLVKDONJSA-N 0 3 325.455 3.016 20 10 EGCDHN CCOc1ccc(C[NH2+]C[C@](C)(C(=O)OC)c2ccccc2)c([O-])c1 ZINC000787430127 1305745612 /nfs/dbraw/zinc/74/56/12/1305745612.db2.gz ZVWJOPCTRFRFSQ-FQEVSTJZSA-N 0 3 343.423 3.011 20 10 EGCDHN C[C@]1(CO)CCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000789557471 1306185301 /nfs/dbraw/zinc/18/53/01/1306185301.db2.gz IOHPMZVKGXHJTB-HXUWFJFHSA-N 0 3 327.424 3.318 20 10 EGCDHN C[C@]1(CO)CCC[N@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000789557471 1306185305 /nfs/dbraw/zinc/18/53/05/1306185305.db2.gz IOHPMZVKGXHJTB-HXUWFJFHSA-N 0 3 327.424 3.318 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+]CCOC(F)(F)F)c1[O-] ZINC000789578200 1306187454 /nfs/dbraw/zinc/18/74/54/1306187454.db2.gz BVDGIEJZQNDIFM-UHFFFAOYSA-N 0 3 328.128 3.089 20 10 EGCDHN O=C(N[C@H](CN1CCCCC1)c1ccccc1)c1cccc(O)c1O ZINC000790772022 1308863103 /nfs/dbraw/zinc/86/31/03/1308863103.db2.gz IZBYSKYYKGTNSQ-QGZVFWFLSA-N 0 3 340.423 3.055 20 10 EGCDHN CN(C)c1ccc(CN2CC[C@@]3(CCOC3)C2)c(C(F)(F)F)c1 ZINC000792834403 1309241611 /nfs/dbraw/zinc/24/16/11/1309241611.db2.gz IELLVXNSRYWBPZ-MRXNPFEDSA-N 0 3 328.378 3.384 20 10 EGCDHN [O-]c1ccc(F)cc1C[NH2+][C@H](CO)c1ccccc1C(F)(F)F ZINC000897331566 1310294262 /nfs/dbraw/zinc/29/42/62/1310294262.db2.gz URIJOWSHBJKHTK-CQSZACIVSA-N 0 3 329.293 3.373 20 10 EGCDHN OC[C@@H](NCc1cc(F)ccc1O)c1ccccc1C(F)(F)F ZINC000897331566 1310294271 /nfs/dbraw/zinc/29/42/71/1310294271.db2.gz URIJOWSHBJKHTK-CQSZACIVSA-N 0 3 329.293 3.373 20 10 EGCDHN COc1ccc(O)c(CN[C@@H](CO)c2ccccc2C(F)(F)F)c1 ZINC000897331554 1310295242 /nfs/dbraw/zinc/29/52/42/1310295242.db2.gz ULZGFTXVKRHXHV-HNNXBMFYSA-N 0 3 341.329 3.243 20 10 EGCDHN Fc1cc(CN[C@@H](c2ccncc2)C2CC2)ccc1N1CCOCC1 ZINC000898326289 1310678048 /nfs/dbraw/zinc/67/80/48/1310678048.db2.gz VHDCFKWYKHSEEW-HXUWFJFHSA-N 0 3 341.430 3.298 20 10 EGCDHN CC(C)[C@@H](C)N(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899101653 1310933449 /nfs/dbraw/zinc/93/34/49/1310933449.db2.gz KHFBXYVUSYKYHB-QAPCUYQASA-N 0 3 334.508 3.041 20 10 EGCDHN CC[C@@H](COCC(F)(F)F)NCc1cc(F)c(N(C)C)cc1F ZINC000858170359 1328702333 /nfs/dbraw/zinc/70/23/33/1328702333.db2.gz JLGICRVEQGIYNY-NSHDSACASA-N 0 3 340.336 3.478 20 10 EGCDHN CCN(C)c1ccc([C@H](C)N[C@@H](CCSC)C(=O)N(C)C)cc1 ZINC000806662517 1317517168 /nfs/dbraw/zinc/51/71/68/1317517168.db2.gz DDTPQQPDBTYRLT-YOEHRIQHSA-N 0 3 337.533 3.003 20 10 EGCDHN Cc1ccc(O)c(CNC(=O)NC[C@@H](C)N(C)Cc2ccccc2)c1 ZINC000858209628 1328712189 /nfs/dbraw/zinc/71/21/89/1328712189.db2.gz QHTRFYBDKSOEEG-MRXNPFEDSA-N 0 3 341.455 3.020 20 10 EGCDHN C[C@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)c1ccccc1[O-] ZINC000903480635 1317705426 /nfs/dbraw/zinc/70/54/26/1317705426.db2.gz YVISFCAEPOPRDR-WDEREUQCSA-N 0 3 336.233 3.017 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c1[O-] ZINC000808706918 1317719329 /nfs/dbraw/zinc/71/93/29/1317719329.db2.gz BEUIQQHKTPEVPW-IACUBPJLSA-N 0 3 345.892 3.360 20 10 EGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCS(=O)(=O)C(C)(C)C)c1[O-] ZINC000808706190 1317719480 /nfs/dbraw/zinc/71/94/80/1317719480.db2.gz ZCMWTEJBMDDCKR-LLVKDONJSA-N 0 3 333.881 3.218 20 10 EGCDHN CCOc1ccc(C[NH2+]Cc2ccc(N(C)C(C)=O)cc2)c([O-])c1 ZINC000858251375 1328723265 /nfs/dbraw/zinc/72/32/65/1328723265.db2.gz WFWKTUUYVWNXNY-UHFFFAOYSA-N 0 3 328.412 3.063 20 10 EGCDHN CCN(CC)c1ccc(CN2CC[C@@H](C(=O)N3CCCC3)C2)cc1F ZINC000809770980 1317896022 /nfs/dbraw/zinc/89/60/22/1317896022.db2.gz CLMORSQHPCRTPQ-QGZVFWFLSA-N 0 3 347.478 3.116 20 10 EGCDHN CC[N@@H+](Cc1cc(Br)cc(OC)c1[O-])C[C@H](C)OC ZINC000812807419 1318461049 /nfs/dbraw/zinc/46/10/49/1318461049.db2.gz NYDQCNMYOAOXFI-JTQLQIEISA-N 0 3 332.238 3.020 20 10 EGCDHN CC[N@H+](Cc1cc(Br)cc(OC)c1[O-])C[C@H](C)OC ZINC000812807419 1318461055 /nfs/dbraw/zinc/46/10/55/1318461055.db2.gz NYDQCNMYOAOXFI-JTQLQIEISA-N 0 3 332.238 3.020 20 10 EGCDHN CCCN(CC[NH+]1CCCCCC1)C(=O)c1ccc(C)c(O)c1[O-] ZINC000813854568 1318644237 /nfs/dbraw/zinc/64/42/37/1318644237.db2.gz BFYKQEZTGBBFKY-UHFFFAOYSA-N 0 3 334.460 3.134 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2ccc[nH]c2=O)c1[O-] ZINC000858563397 1328796509 /nfs/dbraw/zinc/79/65/09/1328796509.db2.gz PVXYLNUQTBJDDW-SNVBAGLBSA-N 0 3 337.217 3.415 20 10 EGCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CN1CCC(C)CC1 ZINC000915215515 1319445861 /nfs/dbraw/zinc/44/58/61/1319445861.db2.gz UMMBTNLIRYDVMA-UHFFFAOYSA-N 0 3 331.504 3.222 20 10 EGCDHN C[C@H]([NH2+][C@H]1CCN[C@H](C)C1)c1cc(Br)cc(F)c1[O-] ZINC000817970845 1319480974 /nfs/dbraw/zinc/48/09/74/1319480974.db2.gz FZRBBJGATWOOQZ-YWVKMMECSA-N 0 3 331.229 3.085 20 10 EGCDHN C[C@@H]([NH2+]CCCNC1CC1)c1cc(Br)c(F)cc1[O-] ZINC000817984642 1319487093 /nfs/dbraw/zinc/48/70/93/1319487093.db2.gz WOCGMYVLQRWYRJ-SECBINFHSA-N 0 3 331.229 3.087 20 10 EGCDHN c1cn([C@H]2CCCN(Cc3ccc(N4CCCCC4)cc3)C2)nn1 ZINC000822497399 1320089392 /nfs/dbraw/zinc/08/93/92/1320089392.db2.gz CDTPGDZZFKIXEJ-IBGZPJMESA-N 0 3 325.460 3.106 20 10 EGCDHN C[N@H+](Cc1cc(F)ccc1[O-])C1CCN(CCC(F)(F)F)CC1 ZINC000825331802 1320328607 /nfs/dbraw/zinc/32/86/07/1320328607.db2.gz NPPFCLURHBYFFE-UHFFFAOYSA-N 0 3 334.357 3.380 20 10 EGCDHN C[N@@H+](Cc1cc(F)ccc1[O-])C1CCN(CCC(F)(F)F)CC1 ZINC000825331802 1320328611 /nfs/dbraw/zinc/32/86/11/1320328611.db2.gz NPPFCLURHBYFFE-UHFFFAOYSA-N 0 3 334.357 3.380 20 10 EGCDHN O=[N+]([O-])c1cc(CN2CC[C@@H](CCCO)C2)ccc1N1CCCCC1 ZINC000825338669 1320329497 /nfs/dbraw/zinc/32/94/97/1320329497.db2.gz SXIZCZOOILMZHY-MRXNPFEDSA-N 0 3 347.459 3.180 20 10 EGCDHN COc1ccc(O)c(CNC[C@H](OC2CCCC2)C(F)(F)F)c1 ZINC000826919846 1320414147 /nfs/dbraw/zinc/41/41/47/1320414147.db2.gz BQPDGPYDYWWAPX-HNNXBMFYSA-N 0 3 333.350 3.381 20 10 EGCDHN CC(C)C[C@H](CO)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000827113804 1320427768 /nfs/dbraw/zinc/42/77/68/1320427768.db2.gz JPRWAMQEJYCAPF-GOSISDBHSA-N 0 3 329.440 3.468 20 10 EGCDHN COc1ccc(O)c(CN2CCC(Oc3ccc(Cl)cn3)CC2)c1 ZINC000839193522 1320891145 /nfs/dbraw/zinc/89/11/45/1320891145.db2.gz WLLWMDWURUNKRG-UHFFFAOYSA-N 0 3 348.830 3.493 20 10 EGCDHN Cc1cc(N(C)C)ccc1CN1CCC([C@H](O)C(F)(F)F)CC1 ZINC000840917670 1321177194 /nfs/dbraw/zinc/17/71/94/1321177194.db2.gz WGMMLZIPYLDOMU-INIZCTEOSA-N 0 3 330.394 3.196 20 10 EGCDHN COc1ccc([C@H](CCO)NCc2ccc(N(C)C)cc2C)cc1 ZINC000840935765 1321180683 /nfs/dbraw/zinc/18/06/83/1321180683.db2.gz CSSOLQXGJBDXGH-FQEVSTJZSA-N 0 3 328.456 3.283 20 10 EGCDHN CC(C)(C)OC(=O)N1CCC[C@@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC000840978774 1321193354 /nfs/dbraw/zinc/19/33/54/1321193354.db2.gz SAQIODJDVMNDDO-IBGZPJMESA-N 0 3 332.444 3.368 20 10 EGCDHN CC(C)(C)OC(=O)N1CCC[C@@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC000840978774 1321193356 /nfs/dbraw/zinc/19/33/56/1321193356.db2.gz SAQIODJDVMNDDO-IBGZPJMESA-N 0 3 332.444 3.368 20 10 EGCDHN O=C(NCCCSc1nccs1)Nc1ccc2c(c1)CNC2 ZINC000841332726 1321258312 /nfs/dbraw/zinc/25/83/12/1321258312.db2.gz ULQRGRMKTDXFGU-UHFFFAOYSA-N 0 3 334.470 3.050 20 10 EGCDHN CC(C)Cn1nccc1CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000842674434 1321416868 /nfs/dbraw/zinc/41/68/68/1321416868.db2.gz OLTJVEPHJFROHZ-KRWDZBQOSA-N 0 3 342.487 3.227 20 10 EGCDHN C[C@@H]([NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccccc1[O-] ZINC000845988782 1321761469 /nfs/dbraw/zinc/76/14/69/1321761469.db2.gz BAWSBOOYZQNFKR-ZIAGYGMSSA-N 0 3 333.453 3.250 20 10 EGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CC[C@]1(O)CCCOC1 ZINC000846112135 1321768978 /nfs/dbraw/zinc/76/89/78/1321768978.db2.gz XIDZUWZHIXRDNR-HXUWFJFHSA-N 0 3 327.424 3.080 20 10 EGCDHN COc1cccc([C@@H](C)NCc2cc(OC)c(OC)cc2OC)c1O ZINC000846137334 1321770141 /nfs/dbraw/zinc/77/01/41/1321770141.db2.gz NVKIKVYZTNROJK-GFCCVEGCSA-N 0 3 347.411 3.277 20 10 EGCDHN COc1cccc([C@H](C)Nc2ccc(N3CCN(C)CC3)cc2)c1O ZINC000846159920 1321773364 /nfs/dbraw/zinc/77/33/64/1321773364.db2.gz NSADHCWQFBGGRC-HNNXBMFYSA-N 0 3 341.455 3.326 20 10 EGCDHN CC[C@H](NCc1cc(=O)n2ccccc2n1)c1ccc(N(C)C)cc1 ZINC000846215263 1321776830 /nfs/dbraw/zinc/77/68/30/1321776830.db2.gz WRVQRINLDXPWJX-SFHVURJKSA-N 0 3 336.439 3.001 20 10 EGCDHN Cc1cc(C(=O)N(C)CCN2CCCCC2)c(C)n1-c1ccccn1 ZINC000846612216 1321795840 /nfs/dbraw/zinc/79/58/40/1321795840.db2.gz LHPCXJGGZHWYOS-UHFFFAOYSA-N 0 3 340.471 3.047 20 10 EGCDHN CNC(=O)CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000846842242 1321816013 /nfs/dbraw/zinc/81/60/13/1321816013.db2.gz RQGXULWIOCAWLM-INIZCTEOSA-N 0 3 326.440 3.482 20 10 EGCDHN CNC(=O)CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000846842242 1321816015 /nfs/dbraw/zinc/81/60/15/1321816015.db2.gz RQGXULWIOCAWLM-INIZCTEOSA-N 0 3 326.440 3.482 20 10 EGCDHN COC(=O)CC1CC[NH+](Cc2c([O-])ccc3ccc(OC)cc32)CC1 ZINC000918733228 1321986953 /nfs/dbraw/zinc/98/69/53/1321986953.db2.gz POXMPJUZUCWXLX-UHFFFAOYSA-N 0 3 343.423 3.329 20 10 EGCDHN COc1ccc(N2CCC(NCc3nccn3C(C)C)CC2)cc1 ZINC000850116092 1322194151 /nfs/dbraw/zinc/19/41/51/1322194151.db2.gz LZDKFJSNNGVSGE-UHFFFAOYSA-N 0 3 328.460 3.231 20 10 EGCDHN COc1ccc(N2C[C@@H]([NH2+][C@@H](C)c3ccc(C)cc3[O-])CC2=O)cc1 ZINC000850516255 1322259430 /nfs/dbraw/zinc/25/94/30/1322259430.db2.gz UBXWWNOEYASKKE-GJZGRUSLSA-N 0 3 340.423 3.165 20 10 EGCDHN CC[C@@H]([NH2+]CC1(S(C)(=O)=O)CCCCC1)c1ccccc1[O-] ZINC000850532709 1322261497 /nfs/dbraw/zinc/26/14/97/1322261497.db2.gz XATPBMCFDDTNNR-OAHLLOKOSA-N 0 3 325.474 3.180 20 10 EGCDHN Cc1ncc([C@@H](C)NCc2ccc(N3CCC(O)CC3)cc2)s1 ZINC000850567359 1322269169 /nfs/dbraw/zinc/26/91/69/1322269169.db2.gz AQDACQPOYNIDGI-CYBMUJFWSA-N 0 3 331.485 3.263 20 10 EGCDHN COC[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000850567433 1322269782 /nfs/dbraw/zinc/26/97/82/1322269782.db2.gz BYJXHSPUZQOQHZ-NRFANRHFSA-N 0 3 340.467 3.125 20 10 EGCDHN C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000854514424 1325271069 /nfs/dbraw/zinc/27/10/69/1325271069.db2.gz BLSOJNNEGKDKEI-HUUCEWRRSA-N 0 3 349.438 3.208 20 10 EGCDHN CC(C)(C)OC(=O)N[C@@]12CCC[C@H]1C[N@H+](Cc1ccccc1[O-])C2 ZINC000857069957 1325567595 /nfs/dbraw/zinc/56/75/95/1325567595.db2.gz XTTFFRPMGOIFLI-HNAYVOBHSA-N 0 3 332.444 3.271 20 10 EGCDHN CC(C)(C)OC(=O)N[C@@]12CCC[C@H]1C[N@@H+](Cc1ccccc1[O-])C2 ZINC000857069957 1325567600 /nfs/dbraw/zinc/56/76/00/1325567600.db2.gz XTTFFRPMGOIFLI-HNAYVOBHSA-N 0 3 332.444 3.271 20 10 EGCDHN CC[N@@H+]1CC[C@@H](N(C)Cc2c([O-])cccc2Br)C[C@@H]1C ZINC000862248759 1329470924 /nfs/dbraw/zinc/47/09/24/1329470924.db2.gz RAVIZZRRFNCWFI-QWHCGFSZSA-N 0 3 341.293 3.459 20 10 EGCDHN CC[N@H+]1CC[C@@H](N(C)Cc2c([O-])cccc2Br)C[C@@H]1C ZINC000862248759 1329470926 /nfs/dbraw/zinc/47/09/26/1329470926.db2.gz RAVIZZRRFNCWFI-QWHCGFSZSA-N 0 3 341.293 3.459 20 10 EGCDHN CC(C)(C)OC(=O)N[C@@H](C[NH2+]Cc1ccccc1[O-])CC(F)F ZINC000865442834 1329698037 /nfs/dbraw/zinc/69/80/37/1329698037.db2.gz UNJZETUGGXKBDS-GFCCVEGCSA-N 0 3 330.375 3.030 20 10 EGCDHN C[C@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)c1ccc(S(C)(=O)=O)cc1 ZINC000866535456 1330123301 /nfs/dbraw/zinc/12/33/01/1330123301.db2.gz DPDLFAHZOFDVSJ-CXAGYDPISA-N 0 3 345.464 3.176 20 10 EGCDHN [O-]c1cccc(Br)c1CN1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235046584 1376843042 /nfs/dbraw/zinc/84/30/42/1376843042.db2.gz RNSHXHXIVHOUCF-INIZCTEOSA-N 0 3 339.277 3.263 20 10 EGCDHN CCN(CC)c1ccc(CN2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)cc1 ZINC001203939116 1370322250 /nfs/dbraw/zinc/32/22/50/1370322250.db2.gz KEYHICZACPSJIP-PWRODBHTSA-N 0 3 344.499 3.159 20 10 EGCDHN COc1cccc(OC2CCN(Cc3ccc(N(C)C)cc3)CC2)n1 ZINC001203936386 1370322651 /nfs/dbraw/zinc/32/26/51/1370322651.db2.gz GFLCUPMFRDMZDA-UHFFFAOYSA-N 0 3 341.455 3.200 20 10 EGCDHN COc1ccccc1OC1CC[NH+](Cc2ccc(O)cc2[O-])CC1 ZINC001204279284 1370430479 /nfs/dbraw/zinc/43/04/79/1370430479.db2.gz VYDJGZPFVOLRQH-UHFFFAOYSA-N 0 3 329.396 3.150 20 10 EGCDHN CN(Cc1cccs1)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001116439777 1370911505 /nfs/dbraw/zinc/91/15/05/1370911505.db2.gz SKCVBRHDCNNLSC-UHFFFAOYSA-N 0 3 333.476 3.271 20 10 EGCDHN CN1CC=C(Nc2ccc(OCCOc3ccc(N)cc3)cc2)CC1 ZINC001208911216 1371941248 /nfs/dbraw/zinc/94/12/48/1371941248.db2.gz YRXIMLCKBUBVKD-UHFFFAOYSA-N 0 3 339.439 3.358 20 10 EGCDHN Cc1cc(C)c(CN2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)c(O)c1 ZINC001231845348 1376325459 /nfs/dbraw/zinc/32/54/59/1376325459.db2.gz ZBHOFCDGINAQAO-DFQSSKMNSA-N 0 3 331.456 3.167 20 10 EGCDHN COc1cccnc1O[C@@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC001231870927 1376333947 /nfs/dbraw/zinc/33/39/47/1376333947.db2.gz DPTPHTBJURIUCC-CQSZACIVSA-N 0 3 348.830 3.411 20 10 EGCDHN COc1cccnc1O[C@@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC001231870927 1376333958 /nfs/dbraw/zinc/33/39/58/1376333958.db2.gz DPTPHTBJURIUCC-CQSZACIVSA-N 0 3 348.830 3.411 20 10 EGCDHN Oc1ccc(CN2CCCc3cc(O)c(O)cc3C2)c2cccnc12 ZINC001232276679 1376429337 /nfs/dbraw/zinc/42/93/37/1376429337.db2.gz CMRHNYMSBNVHAQ-UHFFFAOYSA-N 0 3 336.391 3.300 20 10 EGCDHN CC[N@H+](Cc1ccccc1[O-])Cc1cc(Br)c[nH]c1=O ZINC001233187981 1376581913 /nfs/dbraw/zinc/58/19/13/1376581913.db2.gz UVYCYJUNSDLFEA-UHFFFAOYSA-N 0 3 337.217 3.277 20 10 EGCDHN CC[N@@H+](Cc1ccccc1[O-])Cc1cc(Br)c[nH]c1=O ZINC001233187981 1376581915 /nfs/dbraw/zinc/58/19/15/1376581915.db2.gz UVYCYJUNSDLFEA-UHFFFAOYSA-N 0 3 337.217 3.277 20 10 EGCDHN CN(C)CC[N@H+](C)Cc1c([O-])ccc2cc(Br)ccc21 ZINC001233194309 1376583600 /nfs/dbraw/zinc/58/36/00/1376583600.db2.gz QVGCUHSUCXIHQA-UHFFFAOYSA-N 0 3 337.261 3.301 20 10 EGCDHN CN(C)CC[N@@H+](C)Cc1c([O-])ccc2cc(Br)ccc21 ZINC001233194309 1376583603 /nfs/dbraw/zinc/58/36/03/1376583603.db2.gz QVGCUHSUCXIHQA-UHFFFAOYSA-N 0 3 337.261 3.301 20 10 EGCDHN [O-]c1cc(C(F)(F)F)ccc1C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC001233451860 1376649010 /nfs/dbraw/zinc/64/90/10/1376649010.db2.gz BXCBOWLDVIGALB-UHFFFAOYSA-N 0 3 343.267 3.300 20 10 EGCDHN C[C@@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])CCC[C@@]1(C)O ZINC001233726226 1376703604 /nfs/dbraw/zinc/70/36/04/1376703604.db2.gz ATHJKXVANGCJFJ-IAQYHMDHSA-N 0 3 333.350 3.274 20 10 EGCDHN C[C@@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])CCC[C@@]1(C)O ZINC001233726226 1376703606 /nfs/dbraw/zinc/70/36/06/1376703606.db2.gz ATHJKXVANGCJFJ-IAQYHMDHSA-N 0 3 333.350 3.274 20 10 EGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001237053466 1376971699 /nfs/dbraw/zinc/97/16/99/1376971699.db2.gz MKHLXTGDUPKVMB-BLLLJJGKSA-N 0 3 345.361 3.334 20 10 EGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001237053466 1376971706 /nfs/dbraw/zinc/97/17/06/1376971706.db2.gz MKHLXTGDUPKVMB-BLLLJJGKSA-N 0 3 345.361 3.334 20 10 EGCDHN CC(=O)N(C)[C@@H]1CCN(Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001137859290 1377632575 /nfs/dbraw/zinc/63/25/75/1377632575.db2.gz RNCCWGRTPXKNAT-HXUWFJFHSA-N 0 3 325.456 3.147 20 10 EGCDHN CCOC(=O)NC1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC001138222168 1377690855 /nfs/dbraw/zinc/69/08/55/1377690855.db2.gz JVTRRZWUADMQMN-UHFFFAOYSA-N 0 3 345.487 3.387 20 10 EGCDHN Cc1c(CN2CCC3(CC(N(C)C)=NO3)CC2)c2ccccc2n1C ZINC001138255640 1377694967 /nfs/dbraw/zinc/69/49/67/1377694967.db2.gz NVYSXBOVSJDZTG-UHFFFAOYSA-N 0 3 340.471 3.117 20 10 EGCDHN CN1CCCc2cc(CN3CC[C@H](NC(=O)OC(C)(C)C)C3)ccc21 ZINC001138355583 1377708852 /nfs/dbraw/zinc/70/88/52/1377708852.db2.gz TUMRSVHDXDWKAE-KRWDZBQOSA-N 0 3 345.487 3.168 20 10 EGCDHN CCCCCCN1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138497663 1377733632 /nfs/dbraw/zinc/73/36/32/1377733632.db2.gz NACFLPJQTJYHAT-UHFFFAOYSA-N 0 3 345.531 3.221 20 10 EGCDHN CC(C)N(C)Cc1cnc2n1CCN(Cc1cc(F)ccc1O)[C@@H]2C ZINC001140054058 1377996778 /nfs/dbraw/zinc/99/67/78/1377996778.db2.gz IOVCYNACFNHWEJ-CQSZACIVSA-N 0 3 346.450 3.145 20 10 EGCDHN CC(C)=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccccc1[O-] ZINC001272618697 1378076444 /nfs/dbraw/zinc/07/64/44/1378076444.db2.gz NHLTXFFNIWWMOS-FQEVSTJZSA-N 0 3 328.456 3.315 20 10 EGCDHN CC(C)=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccccc1[O-] ZINC001272618697 1378076447 /nfs/dbraw/zinc/07/64/47/1378076447.db2.gz NHLTXFFNIWWMOS-FQEVSTJZSA-N 0 3 328.456 3.315 20 10 EGCDHN Oc1ccc(F)c(Cl)c1CN1C[C@H]2CC[C@@H](C1)N2Cc1ccc[nH]1 ZINC001276837853 1378189262 /nfs/dbraw/zinc/18/92/62/1378189262.db2.gz QIFHBYICWMYHSE-OKILXGFUSA-N 0 3 349.837 3.362 20 10 EGCDHN CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc(Cl)c3cccnc3c1[O-])C2 ZINC001169099800 1384107507 /nfs/dbraw/zinc/10/75/07/1384107507.db2.gz VXMUYYKFJBUQHL-BTTYYORXSA-N 0 3 331.847 3.309 20 10 EGCDHN CN(C)Cc1ccc(NCc2cc(Br)ccc2O)nc1 ZINC001171173918 1384460700 /nfs/dbraw/zinc/46/07/00/1384460700.db2.gz CPRXVQRVQGRBMM-UHFFFAOYSA-N 0 3 336.233 3.223 20 10 EGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCN(c3cnn(C)c3)C2)c1[O-] ZINC001329511447 1389136671 /nfs/dbraw/zinc/13/66/71/1389136671.db2.gz FSYFIMVZAJCQCB-OCCSQVGLSA-N 0 3 334.851 3.017 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)c1[O-] ZINC001329511443 1389136695 /nfs/dbraw/zinc/13/66/95/1389136695.db2.gz FSYFIMVZAJCQCB-GXTWGEPZSA-N 0 3 334.851 3.017 20 10 EGCDHN COc1ccc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(O)c1OC ZINC001342959704 1390677890 /nfs/dbraw/zinc/67/78/90/1390677890.db2.gz IDDXNFLCVHBVEQ-GFCCVEGCSA-N 0 3 346.383 3.477 20 10 EGCDHN COc1cccc2cc(CNCc3ccc(OC)c(OC)c3O)oc21 ZINC001351974591 1391733331 /nfs/dbraw/zinc/73/33/31/1391733331.db2.gz APCXBGNXBXHKNC-UHFFFAOYSA-N 0 3 343.379 3.454 20 10 EGCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000779076630 1126109395 /nfs/dbraw/zinc/10/93/95/1126109395.db2.gz DBEGUQAVGRNBQA-HOCLYGCPSA-N 0 3 343.320 3.155 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+][C@H](CO)Cc2ccc(C)c(C)c2)c1[O-] ZINC000835075622 1126111629 /nfs/dbraw/zinc/11/16/29/1126111629.db2.gz ZHOAHNAZVPUAIU-KRWDZBQOSA-N 0 3 349.858 3.364 20 10 EGCDHN c1ncn(CC2CCN(Cc3ccc(N4CCCCC4)cc3)CC2)n1 ZINC000189976556 455263956 /nfs/dbraw/zinc/26/39/56/455263956.db2.gz LPXPQZBTJPFAQS-UHFFFAOYSA-N 0 3 339.487 3.181 20 10 EGCDHN C[C@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1ccccc1[O-] ZINC000183429300 455291133 /nfs/dbraw/zinc/29/11/33/455291133.db2.gz BGZOAQBSESEBEK-INIZCTEOSA-N 0 3 326.440 3.075 20 10 EGCDHN C[NH+](CCCC[N@@H+](C)Cc1ccccc1[O-])Cc1ccccc1[O-] ZINC000077284306 454085621 /nfs/dbraw/zinc/08/56/21/454085621.db2.gz IEHFSAFXEVELPE-UHFFFAOYSA-N 0 3 328.456 3.442 20 10 EGCDHN C[NH+](CCCC[N@H+](C)Cc1ccccc1[O-])Cc1ccccc1[O-] ZINC000077284306 454085623 /nfs/dbraw/zinc/08/56/23/454085623.db2.gz IEHFSAFXEVELPE-UHFFFAOYSA-N 0 3 328.456 3.442 20 10 EGCDHN O=[N+]([O-])c1cccc(CN(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000070976088 454191407 /nfs/dbraw/zinc/19/14/07/454191407.db2.gz MJPFLMBBXCJVGC-GOSISDBHSA-N 0 3 342.395 3.482 20 10 EGCDHN CC[C@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1ccccc1[O-] ZINC000121087442 454388978 /nfs/dbraw/zinc/38/89/78/454388978.db2.gz JEHDDAJEWMJMSI-KRWDZBQOSA-N 0 3 333.453 3.297 20 10 EGCDHN CCOc1cccc(C[N@H+](CCO)[C@@H]2CCc3ccccc32)c1[O-] ZINC000093387738 454710328 /nfs/dbraw/zinc/71/03/28/454710328.db2.gz OZKVFQJFJSYQSF-GOSISDBHSA-N 0 3 327.424 3.273 20 10 EGCDHN CCOc1cccc(C[N@@H+](CCO)[C@@H]2CCc3ccccc32)c1[O-] ZINC000093387738 454710329 /nfs/dbraw/zinc/71/03/29/454710329.db2.gz OZKVFQJFJSYQSF-GOSISDBHSA-N 0 3 327.424 3.273 20 10 EGCDHN C[C@H](NCc1ccc(N2CCCCC2)cc1)C(=O)NCc1ccco1 ZINC000111399559 454863621 /nfs/dbraw/zinc/86/36/21/454863621.db2.gz WLROJHUVMAWJSK-INIZCTEOSA-N 0 3 341.455 3.064 20 10 EGCDHN C[C@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1cc(F)ccc1[O-] ZINC000184979978 455480746 /nfs/dbraw/zinc/48/07/46/455480746.db2.gz JJLSPMVHZCDNDV-LBPRGKRZSA-N 0 3 332.375 3.080 20 10 EGCDHN CCC(=O)N1CC[C@@H](N[C@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000126340807 454886973 /nfs/dbraw/zinc/88/69/73/454886973.db2.gz YEFWIQGQVGBMNR-SJLPKXTDSA-N 0 3 329.488 3.338 20 10 EGCDHN C[C@H](C(=O)NCc1ccc2c(c1)CCCN2C)[C@@H](N)c1ccccc1 ZINC000166475355 454912602 /nfs/dbraw/zinc/91/26/02/454912602.db2.gz JZSURTAPMDFROE-MGPUTAFESA-N 0 3 337.467 3.021 20 10 EGCDHN C[C@H](N[C@@H]1CCCCNC1=O)c1ccc(N2CCCCCC2)cc1 ZINC000177875254 454915737 /nfs/dbraw/zinc/91/57/37/454915737.db2.gz KAFNXQGTSJGUDV-QFBILLFUSA-N 0 3 329.488 3.386 20 10 EGCDHN COc1cccc(C[N@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)c1[O-] ZINC000127134833 454940464 /nfs/dbraw/zinc/94/04/64/454940464.db2.gz RLOHYUDMLBVNIO-CQSZACIVSA-N 0 3 338.411 3.175 20 10 EGCDHN COc1cccc(C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)c1[O-] ZINC000127134833 454940471 /nfs/dbraw/zinc/94/04/71/454940471.db2.gz RLOHYUDMLBVNIO-CQSZACIVSA-N 0 3 338.411 3.175 20 10 EGCDHN CC[C@@H]([NH2+]CCCS(=O)(=O)Cc1ccccc1)c1ccccc1[O-] ZINC000155243360 454979544 /nfs/dbraw/zinc/97/95/44/454979544.db2.gz LSDPXTHKLTWOMH-GOSISDBHSA-N 0 3 347.480 3.438 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2cccc(Cn3cccn3)c2)c1 ZINC000185093807 455500123 /nfs/dbraw/zinc/50/01/23/455500123.db2.gz KXCPVASZTVBMPB-HNNXBMFYSA-N 0 3 337.423 3.496 20 10 EGCDHN C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1cncc(F)c1 ZINC000151585700 455004623 /nfs/dbraw/zinc/00/46/23/455004623.db2.gz MSJNBOFXZBOBAK-OAHLLOKOSA-N 0 3 343.446 3.280 20 10 EGCDHN C[C@H]([NH2+]CCCN1CCC(O)CC1)c1ccc2ccccc2c1[O-] ZINC000185116196 455503939 /nfs/dbraw/zinc/50/39/39/455503939.db2.gz ZAIDCJYISOGYEJ-HNNXBMFYSA-N 0 3 328.456 3.043 20 10 EGCDHN O=C(Nc1ccc(Cl)cn1)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000179559979 455057666 /nfs/dbraw/zinc/05/76/66/455057666.db2.gz AFGWIPFKTYHIAN-UHFFFAOYSA-N 0 3 345.830 3.291 20 10 EGCDHN Cc1cccc(C[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)c1[O-] ZINC000179848666 455088198 /nfs/dbraw/zinc/08/81/98/455088198.db2.gz KCVJADHAJMRLPJ-UHFFFAOYSA-N 0 3 345.487 3.297 20 10 EGCDHN Cc1cc(C(=O)NC2CC[NH+](Cc3cccc(C)c3[O-])CC2)c(C)o1 ZINC000180026821 455118416 /nfs/dbraw/zinc/11/84/16/455118416.db2.gz UEHDNCMMRBSDCN-UHFFFAOYSA-N 0 3 342.439 3.305 20 10 EGCDHN CCOc1cccc(C[NH2+]C[C@@](C)(O)c2ccccc2Cl)c1[O-] ZINC000156736414 455147313 /nfs/dbraw/zinc/14/73/13/455147313.db2.gz GTTBCYCLGRTVPJ-GOSISDBHSA-N 0 3 335.831 3.442 20 10 EGCDHN CCN(C)C(=O)[C@H](C)N[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000189406440 455191049 /nfs/dbraw/zinc/19/10/49/455191049.db2.gz KOFAPPPSYVXMAU-CABCVRRESA-N 0 3 335.467 3.333 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CCC[C@@H](CO)C1 ZINC000182929585 455193148 /nfs/dbraw/zinc/19/31/48/455193148.db2.gz BDTCETTXGQCPGJ-QGZVFWFLSA-N 0 3 327.424 3.176 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC[C@@H](CO)C1 ZINC000182929585 455193151 /nfs/dbraw/zinc/19/31/51/455193151.db2.gz BDTCETTXGQCPGJ-QGZVFWFLSA-N 0 3 327.424 3.176 20 10 EGCDHN CCC[N@H+](Cc1cc2c(cc1[O-])OCO2)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000265871609 455396368 /nfs/dbraw/zinc/39/63/68/455396368.db2.gz JLBDJFCURLTNRX-MORSLUCNSA-N 0 3 333.428 3.146 20 10 EGCDHN CCC[N@@H+](Cc1cc2c(cc1[O-])OCO2)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000265871609 455396370 /nfs/dbraw/zinc/39/63/70/455396370.db2.gz JLBDJFCURLTNRX-MORSLUCNSA-N 0 3 333.428 3.146 20 10 EGCDHN COc1ccc(CCC[N@H+](C)Cc2cc(OC)c(OC)cc2[O-])cc1 ZINC000159920125 455415483 /nfs/dbraw/zinc/41/54/83/455415483.db2.gz YFQCJFNIFMUDPL-UHFFFAOYSA-N 0 3 345.439 3.483 20 10 EGCDHN COc1ccc(CCC[N@@H+](C)Cc2cc(OC)c(OC)cc2[O-])cc1 ZINC000159920125 455415487 /nfs/dbraw/zinc/41/54/87/455415487.db2.gz YFQCJFNIFMUDPL-UHFFFAOYSA-N 0 3 345.439 3.483 20 10 EGCDHN COc1ccc([C@@H]2CC[N@H+](Cc3cc(OC)c(OC)cc3[O-])C2)cc1 ZINC000160064690 455425572 /nfs/dbraw/zinc/42/55/72/455425572.db2.gz UOWWPAPRPWZWGJ-OAHLLOKOSA-N 0 3 343.423 3.408 20 10 EGCDHN COc1ccc([C@@H]2CC[N@@H+](Cc3cc(OC)c(OC)cc3[O-])C2)cc1 ZINC000160064690 455425575 /nfs/dbraw/zinc/42/55/75/455425575.db2.gz UOWWPAPRPWZWGJ-OAHLLOKOSA-N 0 3 343.423 3.408 20 10 EGCDHN C[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc2ccccc2c1[O-] ZINC000185367075 455549264 /nfs/dbraw/zinc/54/92/64/455549264.db2.gz OIHXJXBHAJNYFY-QGZVFWFLSA-N 0 3 341.499 3.224 20 10 EGCDHN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)c1[O-] ZINC000185726093 455607724 /nfs/dbraw/zinc/60/77/24/455607724.db2.gz VUDUXUKYRXDUAR-DZGCQCFKSA-N 0 3 348.462 3.477 20 10 EGCDHN Cc1cc(C)c([C@@H](C)[NH2+]CC2(N3CCCC3)CCOCC2)c([O-])c1 ZINC000283912914 455610119 /nfs/dbraw/zinc/61/01/19/455610119.db2.gz DJQVUDSLKRIXMA-QGZVFWFLSA-N 0 3 332.488 3.305 20 10 EGCDHN CN1CCO[C@H]([C@@H](NCc2ccccc2O)c2ccc(Cl)cc2)C1 ZINC000247689748 455639099 /nfs/dbraw/zinc/63/90/99/455639099.db2.gz QKWSCKNTBGEHQV-OALUTQOASA-N 0 3 346.858 3.207 20 10 EGCDHN COc1ccc([C@H](CN(C)C)N[C@H](C)c2cc(OC)ccc2O)cc1 ZINC000284260709 455659536 /nfs/dbraw/zinc/65/95/36/455659536.db2.gz GILBPSLISCLDMO-KUHUBIRLSA-N 0 3 344.455 3.363 20 10 EGCDHN COc1ccc(O)c([C@H](C)N[C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)c1 ZINC000186081630 455689688 /nfs/dbraw/zinc/68/96/88/455689688.db2.gz HTQGJYYFPNTRHE-QWQRMKEZSA-N 0 3 340.423 3.245 20 10 EGCDHN COc1cc(NCC[NH2+][C@@H](C)c2cc(C)ccc2[O-])cc(OC)c1 ZINC000186154817 455705125 /nfs/dbraw/zinc/70/51/25/455705125.db2.gz GNSIETRRNBJLGF-AWEZNQCLSA-N 0 3 330.428 3.481 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(N3CCCC3=O)cc2)c1 ZINC000192927714 455719481 /nfs/dbraw/zinc/71/94/81/455719481.db2.gz LACXBASGZNGSNO-AWEZNQCLSA-N 0 3 340.423 3.378 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCc2ccc(N3CCCC3=O)cc2)c1 ZINC000192927714 455719484 /nfs/dbraw/zinc/71/94/84/455719484.db2.gz LACXBASGZNGSNO-AWEZNQCLSA-N 0 3 340.423 3.378 20 10 EGCDHN CC[C@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1[O-] ZINC000186303414 455738283 /nfs/dbraw/zinc/73/82/83/455738283.db2.gz SCEPVJKHWRBXMG-HKUYNNGSSA-N 0 3 338.451 3.482 20 10 EGCDHN Cc1cc(CN2CCC(CN3CCCCC3=O)CC2)ccc1N(C)C ZINC000293790300 455797434 /nfs/dbraw/zinc/79/74/34/455797434.db2.gz MLLSSPNUONLDES-UHFFFAOYSA-N 0 3 343.515 3.286 20 10 EGCDHN COc1cccc(C(=O)NCC[NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])c1 ZINC000293782811 455797574 /nfs/dbraw/zinc/79/75/74/455797574.db2.gz QFXILZCRCIVKTQ-HNNXBMFYSA-N 0 3 342.439 3.098 20 10 EGCDHN C[C@H](CCN1CCN(C)CC1)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000186600788 455803646 /nfs/dbraw/zinc/80/36/46/455803646.db2.gz URJBCQANEPUAHX-SJORKVTESA-N 0 3 341.499 3.222 20 10 EGCDHN Cc1cc(C)c([C@H](C)[NH2+]CCn2cc(Br)cn2)c([O-])c1 ZINC000294267712 455809781 /nfs/dbraw/zinc/80/97/81/455809781.db2.gz LQRGSBKAJXIIFS-LBPRGKRZSA-N 0 3 338.249 3.319 20 10 EGCDHN CCOCc1cc(CNC[C@@H](O)c2ccc(C)cc2)ccc1OC ZINC000278540002 455838590 /nfs/dbraw/zinc/83/85/90/455838590.db2.gz XEGMJNRORZLKOF-LJQANCHMSA-N 0 3 329.440 3.363 20 10 EGCDHN CO[C@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000272112588 455850217 /nfs/dbraw/zinc/85/02/17/455850217.db2.gz XZCZJQLVJAQAAL-ZMZPIMSZSA-N 0 3 333.359 3.126 20 10 EGCDHN CC[C@@H]([NH2+]CCCNC(=O)c1cccc(O)c1)c1ccc(C)cc1[O-] ZINC000280050296 455881599 /nfs/dbraw/zinc/88/15/99/455881599.db2.gz JMNRXIYPWQJMQW-GOSISDBHSA-N 0 3 342.439 3.267 20 10 EGCDHN CC[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)c1ccc(C)cc1[O-] ZINC000280171057 455907658 /nfs/dbraw/zinc/90/76/58/455907658.db2.gz RDPOOWUCFZNQAN-MAUKXSAKSA-N 0 3 326.440 3.446 20 10 EGCDHN CC[C@@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1ccc(C)cc1[O-] ZINC000285822141 455922510 /nfs/dbraw/zinc/92/25/10/455922510.db2.gz XFFWWTJIDFQBTM-ZBFHGGJFSA-N 0 3 346.393 3.004 20 10 EGCDHN COc1cc([O-])c(C[N@@H+]2CC[C@H](COc3ccccc3)C2)cc1OC ZINC000272422512 455946269 /nfs/dbraw/zinc/94/62/69/455946269.db2.gz FAKLTGKJXLFUJY-HNNXBMFYSA-N 0 3 343.423 3.310 20 10 EGCDHN COc1cc([O-])c(C[N@H+]2CC[C@H](COc3ccccc3)C2)cc1OC ZINC000272422512 455946275 /nfs/dbraw/zinc/94/62/75/455946275.db2.gz FAKLTGKJXLFUJY-HNNXBMFYSA-N 0 3 343.423 3.310 20 10 EGCDHN COc1cc(O)c(CN2CC[C@H](COc3ccccc3)C2)cc1OC ZINC000272422512 455946279 /nfs/dbraw/zinc/94/62/79/455946279.db2.gz FAKLTGKJXLFUJY-HNNXBMFYSA-N 0 3 343.423 3.310 20 10 EGCDHN C[C@@H]1OCC[C@]12CN(Cc1ccc(N3CCCCC3)cc1)C[C@@H](C)O2 ZINC000280453222 455975229 /nfs/dbraw/zinc/97/52/29/455975229.db2.gz LMMOZNLFXGVPHY-LQWHRVPQSA-N 0 3 344.499 3.445 20 10 EGCDHN Cc1ccc([C@@H](C)[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c([O-])c1C ZINC000296618506 455990340 /nfs/dbraw/zinc/99/03/40/455990340.db2.gz WSWLIDCJLXBODH-IXDOHACOSA-N 0 3 338.451 3.351 20 10 EGCDHN Cc1ccc([C@@H](C)[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c([O-])c1C ZINC000296618506 455990344 /nfs/dbraw/zinc/99/03/44/455990344.db2.gz WSWLIDCJLXBODH-IXDOHACOSA-N 0 3 338.451 3.351 20 10 EGCDHN C[C@H]1CN(c2ccc(CNCc3ccn(C)c3)cc2F)C[C@H](C)O1 ZINC000270623849 455998686 /nfs/dbraw/zinc/99/86/86/455998686.db2.gz KQGPVVPZZJCFEY-GJZGRUSLSA-N 0 3 331.435 3.068 20 10 EGCDHN COc1ccc(O)c([C@@H](C)N[C@H](CN(C)C)c2ccc(F)cc2)c1 ZINC000286854933 456056275 /nfs/dbraw/zinc/05/62/75/456056275.db2.gz ASFTVFYNIREUMM-FZKQIMNGSA-N 0 3 332.419 3.493 20 10 EGCDHN Cc1ccc(O)c([C@@H](C)NCc2ccncc2OC[C@H]2CCOC2)c1 ZINC000287264919 456065419 /nfs/dbraw/zinc/06/54/19/456065419.db2.gz IQZUJKXAKYIHIX-CVEARBPZSA-N 0 3 342.439 3.362 20 10 EGCDHN CC[C@@H]([NH2+]Cc1ccncc1OC[C@H]1CCOC1)c1ccccc1[O-] ZINC000287449210 456069202 /nfs/dbraw/zinc/06/92/02/456069202.db2.gz UXVKWGJJBGMOLB-MAUKXSAKSA-N 0 3 342.439 3.443 20 10 EGCDHN CCC[N@H+](Cc1cc(OC)c(OC)cc1[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000271055342 456114379 /nfs/dbraw/zinc/11/43/79/456114379.db2.gz ACJURLBSIAYDKW-KYNGSXCRSA-N 0 3 349.471 3.435 20 10 EGCDHN CCC[N@@H+](Cc1cc(OC)c(OC)cc1[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000271055342 456114383 /nfs/dbraw/zinc/11/43/83/456114383.db2.gz ACJURLBSIAYDKW-KYNGSXCRSA-N 0 3 349.471 3.435 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCOC[C@H]2C)c1[O-] ZINC000289186293 456117816 /nfs/dbraw/zinc/11/78/16/456117816.db2.gz AOYPJTNGXFZGMZ-NEPJUHHUSA-N 0 3 328.250 3.225 20 10 EGCDHN CN(C)c1ccc(CN2CCC(C(=O)NC3CCCCC3)CC2)cc1 ZINC000271191898 456163526 /nfs/dbraw/zinc/16/35/26/456163526.db2.gz MVENUDWBZJCMBL-UHFFFAOYSA-N 0 3 343.515 3.414 20 10 EGCDHN CN(C)c1ccc(CN[C@H](CO)c2ccc(Br)cc2)cc1 ZINC000271221207 456180858 /nfs/dbraw/zinc/18/08/58/456180858.db2.gz KDRVCMRKSAZCNZ-QGZVFWFLSA-N 0 3 349.272 3.338 20 10 EGCDHN CCOc1ccc(O)c(CNCc2ccnc(N3CCCC3)c2)c1 ZINC000263669665 456188267 /nfs/dbraw/zinc/18/82/67/456188267.db2.gz JLFZQQIAEROYHX-UHFFFAOYSA-N 0 3 327.428 3.076 20 10 EGCDHN CCN(CC)[C@@H](CNC(=O)Cc1ccc(N)cc1)c1ccsc1 ZINC000236825800 456189027 /nfs/dbraw/zinc/18/90/27/456189027.db2.gz UGHQUBUOHCKNAR-KRWDZBQOSA-N 0 3 331.485 3.072 20 10 EGCDHN CCOc1ccc([O-])c(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)c1 ZINC000289967781 456198766 /nfs/dbraw/zinc/19/87/66/456198766.db2.gz VXFJPAHZTIDYCU-QUCCMNQESA-N 0 3 327.424 3.047 20 10 EGCDHN Cc1ccc([C@@H](C)NCc2cccnc2N2CCOCC2)c(O)c1C ZINC000273435001 456230380 /nfs/dbraw/zinc/23/03/80/456230380.db2.gz WRXGRQHHBTWEJH-MRXNPFEDSA-N 0 3 341.455 3.091 20 10 EGCDHN Cc1ccc([C@H](C)NCC(=O)NCCc2ccccc2)c(O)c1C ZINC000273450755 456232133 /nfs/dbraw/zinc/23/21/33/456232133.db2.gz GAFPOANBFNXQCU-INIZCTEOSA-N 0 3 326.440 3.019 20 10 EGCDHN COc1ccc2c(c1)OC[C@H]([NH2+][C@@H](C)c1cc(OC)ccc1[O-])C2 ZINC000273477746 456233579 /nfs/dbraw/zinc/23/35/79/456233579.db2.gz LCRXLNRGDXXNBJ-GXTWGEPZSA-N 0 3 329.396 3.064 20 10 EGCDHN CCN(CC)c1ccc(CN[C@H]2CCCO[C@@H]2c2cnn(C)c2)cc1 ZINC000275657651 456278871 /nfs/dbraw/zinc/27/88/71/456278871.db2.gz USRZOWJSGZDKBE-VQTJNVASSA-N 0 3 342.487 3.276 20 10 EGCDHN COc1ccc(O)c([C@H](C)N[C@@H]2CCCN(C3CCCCC3)C2=O)c1 ZINC000276925955 456621473 /nfs/dbraw/zinc/62/14/73/456621473.db2.gz NIKUEQFRFDCGSC-KBXCAEBGSA-N 0 3 346.471 3.375 20 10 EGCDHN CC(C)(NCc1cc2c(cc1O)OCO2)c1ccccc1[N+](=O)[O-] ZINC000291674901 456716860 /nfs/dbraw/zinc/71/68/60/456716860.db2.gz GZFRKXRJPADOJH-UHFFFAOYSA-N 0 3 330.340 3.054 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]C2CCN(c3cccnn3)CC2)c([O-])c1C ZINC000277221249 456730391 /nfs/dbraw/zinc/73/03/91/456730391.db2.gz XQZXGGIPMIEOQI-OAHLLOKOSA-N 0 3 326.444 3.119 20 10 EGCDHN CCCCN(Cc1ccccc1O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000283587003 456808587 /nfs/dbraw/zinc/80/85/87/456808587.db2.gz KBUNBJNRLSBROD-MRXNPFEDSA-N 0 3 345.487 3.354 20 10 EGCDHN C[C@@H]([NH2+][C@@H]1CCc2cn[nH]c2C1)c1cc(Br)ccc1[O-] ZINC000370396121 457637908 /nfs/dbraw/zinc/63/79/08/457637908.db2.gz KHSHUEQNVCLUSE-BXKDBHETSA-N 0 3 336.233 3.086 20 10 EGCDHN C[C@@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)C[C@@]2(CCCOC2)O1 ZINC000369100811 458082553 /nfs/dbraw/zinc/08/25/53/458082553.db2.gz QDWJJXLYXGFCFJ-FOIQADDNSA-N 0 3 327.424 3.315 20 10 EGCDHN C[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@@]2(CCCOC2)O1 ZINC000369100811 458082559 /nfs/dbraw/zinc/08/25/59/458082559.db2.gz QDWJJXLYXGFCFJ-FOIQADDNSA-N 0 3 327.424 3.315 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CCCC[C@H]1[C@H](O)c1ccccc1)OCO2 ZINC000362389244 458146664 /nfs/dbraw/zinc/14/66/64/458146664.db2.gz NBVJNSOGBDQUTE-OXJNMPFZSA-N 0 3 341.407 3.209 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCCC[C@H]1[C@H](O)c1ccccc1)OCO2 ZINC000362389244 458146667 /nfs/dbraw/zinc/14/66/67/458146667.db2.gz NBVJNSOGBDQUTE-OXJNMPFZSA-N 0 3 341.407 3.209 20 10 EGCDHN COc1cc([O-])c(C[NH2+]C2CC(OCc3ccccc3)C2)cc1OC ZINC000376367291 458279369 /nfs/dbraw/zinc/27/93/69/458279369.db2.gz KLLBVCHODJHQJZ-UHFFFAOYSA-N 0 3 343.423 3.247 20 10 EGCDHN Cc1ccc([O-])c(C[NH+]2CCC(O)(Cc3ccccc3F)CC2)c1 ZINC000369695233 458318505 /nfs/dbraw/zinc/31/85/05/458318505.db2.gz QAQVBYRRWGGCNX-UHFFFAOYSA-N 0 3 329.415 3.409 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](c3nccn3C)C2)c1[O-] ZINC000373225243 458435822 /nfs/dbraw/zinc/43/58/22/458435822.db2.gz DLCDVDNCEJQFAX-GFCCVEGCSA-N 0 3 335.835 3.167 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3nccn3C)C2)c1[O-] ZINC000373225243 458435826 /nfs/dbraw/zinc/43/58/26/458435826.db2.gz DLCDVDNCEJQFAX-GFCCVEGCSA-N 0 3 335.835 3.167 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]C[C@]2(C)CCO[C@H]2C2CC2)c1[O-] ZINC000373368103 458473158 /nfs/dbraw/zinc/47/31/58/458473158.db2.gz CVJYNPDGIPBSEQ-IRXDYDNUSA-N 0 3 325.836 3.349 20 10 EGCDHN COC[C@]1([NH2+]Cc2cc(C)c(C)cc2[O-])COc2ccccc2C1 ZINC000527802133 459742234 /nfs/dbraw/zinc/74/22/34/459742234.db2.gz ZSWBPYHTSRTWPD-FQEVSTJZSA-N 0 3 327.424 3.119 20 10 EGCDHN CC(C)(C)c1cc(O)c(O)c(CN2CCC[C@H](n3ccnc3)C2)c1 ZINC000738159279 574884655 /nfs/dbraw/zinc/88/46/55/574884655.db2.gz RRDLKIRNCBQTAN-INIZCTEOSA-N 0 3 329.444 3.429 20 10 EGCDHN C[C@H]1CCCN(C(=O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)C1 ZINC000733613891 575375386 /nfs/dbraw/zinc/37/53/86/575375386.db2.gz PFZQNNKDQAETPW-INIZCTEOSA-N 0 3 330.472 3.395 20 10 EGCDHN C[C@H]1CCCN(C(=O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)C1 ZINC000733613891 575375387 /nfs/dbraw/zinc/37/53/87/575375387.db2.gz PFZQNNKDQAETPW-INIZCTEOSA-N 0 3 330.472 3.395 20 10 EGCDHN CC(C)C1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000743851427 576816890 /nfs/dbraw/zinc/81/68/90/576816890.db2.gz HAZODIUHZFBOGN-UHFFFAOYSA-N 0 3 331.504 3.079 20 10 EGCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COc1cccc(C)c1 ZINC000743869853 576817859 /nfs/dbraw/zinc/81/78/59/576817859.db2.gz CNWIYXAULUGTQJ-GOSISDBHSA-N 0 3 329.440 3.353 20 10 EGCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)COc1cccc(C)c1 ZINC000743869853 576817860 /nfs/dbraw/zinc/81/78/60/576817860.db2.gz CNWIYXAULUGTQJ-GOSISDBHSA-N 0 3 329.440 3.353 20 10 EGCDHN Cc1cc(C(=O)NCCN2CC[C@@H](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000744795793 576834615 /nfs/dbraw/zinc/83/46/15/576834615.db2.gz NDOIYVRQJMRZMP-CQSZACIVSA-N 0 3 343.446 3.305 20 10 EGCDHN C[C@H]1CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@@]1(C)CO ZINC000827699832 1292358295 /nfs/dbraw/zinc/35/82/95/1292358295.db2.gz MPVZPFWAJYZVBO-KXBFYZLASA-N 0 3 347.459 3.035 20 10 EGCDHN Cc1cc(CN2CCC[C@@H]2C(=O)NC2CC2)ccc1N1CCCCC1 ZINC000827813695 1292380461 /nfs/dbraw/zinc/38/04/61/1292380461.db2.gz YMCGQPYBZVYVHG-HXUWFJFHSA-N 0 3 341.499 3.228 20 10 EGCDHN COC(=O)NC1CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000827934671 1292406919 /nfs/dbraw/zinc/40/69/19/1292406919.db2.gz NHIKBBKUTNCXAO-UHFFFAOYSA-N 0 3 340.423 3.380 20 10 EGCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NCCc1cccs1 ZINC000076074417 1292419278 /nfs/dbraw/zinc/41/92/78/1292419278.db2.gz JTYSKMKATRIDIC-HNNXBMFYSA-N 0 3 346.496 3.413 20 10 EGCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NCCc1cccs1 ZINC000076074417 1292419281 /nfs/dbraw/zinc/41/92/81/1292419281.db2.gz JTYSKMKATRIDIC-HNNXBMFYSA-N 0 3 346.496 3.413 20 10 EGCDHN Cc1cnccc1CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000828062790 1292425385 /nfs/dbraw/zinc/42/53/85/1292425385.db2.gz RXIIAVQHLAYLHR-LJQANCHMSA-N 0 3 326.440 3.319 20 10 EGCDHN Cc1cnccc1CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000828062790 1292425391 /nfs/dbraw/zinc/42/53/91/1292425391.db2.gz RXIIAVQHLAYLHR-LJQANCHMSA-N 0 3 326.440 3.319 20 10 EGCDHN COc1cc(OC)cc(OCCC[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000834676158 1293131753 /nfs/dbraw/zinc/13/17/53/1293131753.db2.gz PJJRWKAQJXPYJC-GOSISDBHSA-N 0 3 343.423 3.455 20 10 EGCDHN COCCOC1CC[NH+](Cc2c([O-])ccc3ccc(OC)cc32)CC1 ZINC000116868664 1293211485 /nfs/dbraw/zinc/21/14/85/1293211485.db2.gz XLPHEFVGHOLIFO-UHFFFAOYSA-N 0 3 345.439 3.181 20 10 EGCDHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000119493325 1293273408 /nfs/dbraw/zinc/27/34/08/1293273408.db2.gz SYZWSDYKMPULDE-HUUCEWRRSA-N 0 3 338.423 3.457 20 10 EGCDHN Cn1ncc2c1CCC[C@@H]2NCc1ccc(N2CCSCC2)cc1 ZINC000163636403 1294336608 /nfs/dbraw/zinc/33/66/08/1294336608.db2.gz LHTRXRPFTPDKEL-SFHVURJKSA-N 0 3 342.512 3.141 20 10 EGCDHN Cc1cc(C)c(O)c(CN2CCN(Cc3ccc(Cl)nc3)CC2)c1 ZINC000164337385 1294347871 /nfs/dbraw/zinc/34/78/71/1294347871.db2.gz VCBRYMFXNVDNAU-UHFFFAOYSA-N 0 3 345.874 3.375 20 10 EGCDHN Cc1ncsc1CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000172536789 1294439124 /nfs/dbraw/zinc/43/91/24/1294439124.db2.gz PEDVFFCSVCPWPU-INIZCTEOSA-N 0 3 332.469 3.381 20 10 EGCDHN Cc1ncsc1CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000172536789 1294439125 /nfs/dbraw/zinc/43/91/25/1294439125.db2.gz PEDVFFCSVCPWPU-INIZCTEOSA-N 0 3 332.469 3.381 20 10 EGCDHN COCCOC[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000173397925 1294460999 /nfs/dbraw/zinc/46/09/99/1294460999.db2.gz BVYNJDWPXNZXFT-OAHLLOKOSA-N 0 3 345.439 3.039 20 10 EGCDHN COCCOC[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000173397925 1294461002 /nfs/dbraw/zinc/46/10/02/1294461002.db2.gz BVYNJDWPXNZXFT-OAHLLOKOSA-N 0 3 345.439 3.039 20 10 EGCDHN [O-]c1ccc(F)cc1C[NH2+]CCOc1ncccc1C(F)(F)F ZINC000180869569 1294920921 /nfs/dbraw/zinc/92/09/21/1294920921.db2.gz MQESNNHSKFPYJN-UHFFFAOYSA-N 0 3 330.281 3.114 20 10 EGCDHN COc1ccc(O)c([C@@H](C)NCC(=O)NC2CCCCCCC2)c1 ZINC000182441945 1295047186 /nfs/dbraw/zinc/04/71/86/1295047186.db2.gz PKGNCAINAMLLHU-CQSZACIVSA-N 0 3 334.460 3.281 20 10 EGCDHN COc1ccc(C[NH2+]C2CCN(c3ccccc3OC)CC2)c([O-])c1 ZINC000725850261 1298376997 /nfs/dbraw/zinc/37/69/97/1298376997.db2.gz VILJBAISRMVAMK-UHFFFAOYSA-N 0 3 342.439 3.168 20 10 EGCDHN Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000876689838 1298924437 /nfs/dbraw/zinc/92/44/37/1298924437.db2.gz CFIGUPAXQMNPLN-OAHLLOKOSA-N 0 3 334.460 3.389 20 10 EGCDHN Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000876689838 1298924443 /nfs/dbraw/zinc/92/44/43/1298924443.db2.gz CFIGUPAXQMNPLN-OAHLLOKOSA-N 0 3 334.460 3.389 20 10 EGCDHN Cc1cccc(O)c1CNc1ccc(N2CCN(C)CC2)cc1C ZINC000876817579 1299011598 /nfs/dbraw/zinc/01/15/98/1299011598.db2.gz BJZQVIRRWNGHOZ-UHFFFAOYSA-N 0 3 325.456 3.373 20 10 EGCDHN Cc1ccc(CN2CCC(O)(c3c(F)cccc3F)CC2)c(O)c1 ZINC000877436302 1299297785 /nfs/dbraw/zinc/29/77/85/1299297785.db2.gz QPYKNGQDLYIQFU-UHFFFAOYSA-N 0 3 333.378 3.462 20 10 EGCDHN Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)c([O-])c1 ZINC000877521866 1299363959 /nfs/dbraw/zinc/36/39/59/1299363959.db2.gz JFOVEODUISSYKS-CQSZACIVSA-N 0 3 344.377 3.124 20 10 EGCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000877537604 1299378327 /nfs/dbraw/zinc/37/83/27/1299378327.db2.gz NDMFLCGKOILGGP-HXUWFJFHSA-N 0 3 329.415 3.267 20 10 EGCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000877537604 1299378338 /nfs/dbraw/zinc/37/83/38/1299378338.db2.gz NDMFLCGKOILGGP-HXUWFJFHSA-N 0 3 329.415 3.267 20 10 EGCDHN Cc1cccc([O-])c1C[NH2+]C[C@H](O)c1ccccc1Br ZINC000877576282 1299410841 /nfs/dbraw/zinc/41/08/41/1299410841.db2.gz IEXZRNYTYXCXOG-INIZCTEOSA-N 0 3 336.229 3.286 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+]Cc2ccc(NC(N)=O)cc2)c2c1c(F)ccc2[O-] ZINC000756393728 1300482556 /nfs/dbraw/zinc/48/25/56/1300482556.db2.gz UGRRJOVDSTYEOC-QMTHXVAHSA-N 0 3 329.375 3.360 20 10 EGCDHN C[C@H]1C[C@H]([NH2+]CCc2nnc3n2CCCCC3)c2c1c(F)ccc2[O-] ZINC000756398679 1300484536 /nfs/dbraw/zinc/48/45/36/1300484536.db2.gz XPTHYFZEXYJWTD-JSGCOSHPSA-N 0 3 344.434 3.230 20 10 EGCDHN C[C@H]([NH2+][C@@H](CC(=O)N(C)C)c1ccccc1)c1cc(F)ccc1[O-] ZINC000756455387 1300496233 /nfs/dbraw/zinc/49/62/33/1300496233.db2.gz SFNAWHKIGFGCDA-GUYCJALGSA-N 0 3 330.403 3.402 20 10 EGCDHN COc1cc([C@H](C)[NH2+][C@@H](C)c2ccc(C)cc2[O-])ccc1OCCO ZINC000756455213 1300496341 /nfs/dbraw/zinc/49/63/41/1300496341.db2.gz BOBXIQZDAOXHNN-GJZGRUSLSA-N 0 3 345.439 3.492 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(CC(F)(F)F)C2)c2c1c(F)ccc2[O-] ZINC000756503803 1300508994 /nfs/dbraw/zinc/50/89/94/1300508994.db2.gz PWBXNOSMMCLJOX-JFGNBEQYSA-N 0 3 332.341 3.306 20 10 EGCDHN C[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)c1ccc(Br)cc1[O-] ZINC000756616488 1300531724 /nfs/dbraw/zinc/53/17/24/1300531724.db2.gz ZOCXKOGUYJWBQZ-NTZNESFSSA-N 0 3 327.266 3.288 20 10 EGCDHN C[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C2CCCCC2)c2c1c(F)ccc2[O-] ZINC000756635827 1300537782 /nfs/dbraw/zinc/53/77/82/1300537782.db2.gz AWJINWYCKRYEGE-SWLSCSKDSA-N 0 3 334.435 3.460 20 10 EGCDHN C[C@@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1=O)c1ccccc1[O-] ZINC000879648614 1300648012 /nfs/dbraw/zinc/64/80/12/1300648012.db2.gz WHNYGUGMQAOBED-IAQYHMDHSA-N 0 3 332.350 3.127 20 10 EGCDHN CC(C)OCCN[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000757687479 1300711136 /nfs/dbraw/zinc/71/11/36/1300711136.db2.gz PXNDZPYRSBUMLM-CQSZACIVSA-N 0 3 326.868 3.252 20 10 EGCDHN CC[C@H](NCc1ccc(N2CCCCC2)cc1)[C@@H](O)C(F)(F)F ZINC000765786777 1302327256 /nfs/dbraw/zinc/32/72/56/1302327256.db2.gz IQGCNKFAFKOLME-JKSUJKDBSA-N 0 3 330.394 3.468 20 10 EGCDHN CN(Cc1n[nH]c2ccccc21)Cc1ccc(N2CCOCC2)cc1 ZINC000768208172 1302855424 /nfs/dbraw/zinc/85/54/24/1302855424.db2.gz OLWXGDFISYCIJC-UHFFFAOYSA-N 0 3 336.439 3.032 20 10 EGCDHN CN(Cc1[nH]nc2ccccc21)Cc1ccc(N2CCOCC2)cc1 ZINC000768208172 1302855433 /nfs/dbraw/zinc/85/54/33/1302855433.db2.gz OLWXGDFISYCIJC-UHFFFAOYSA-N 0 3 336.439 3.032 20 10 EGCDHN Cc1ccc(C[C@H]2CCC[N@@H+]2Cc2cc3c(cc2[O-])OC[C@@H]3O)cc1 ZINC000768444464 1302907819 /nfs/dbraw/zinc/90/78/19/1302907819.db2.gz BMBFEAXQLHZNCD-XLIONFOSSA-N 0 3 339.435 3.334 20 10 EGCDHN Cc1ccc(C[C@H]2CCC[N@H+]2Cc2cc3c(cc2[O-])OC[C@@H]3O)cc1 ZINC000768444464 1302907825 /nfs/dbraw/zinc/90/78/25/1302907825.db2.gz BMBFEAXQLHZNCD-XLIONFOSSA-N 0 3 339.435 3.334 20 10 EGCDHN C[C@@H](O)[C@@H]1CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000768518837 1302922164 /nfs/dbraw/zinc/92/21/64/1302922164.db2.gz JBOQFRAIFMURME-NVXWUHKLSA-N 0 3 347.459 3.178 20 10 EGCDHN CCC[N@H+](Cc1cnc(N2CCCC2)nc1)Cc1ccccc1[O-] ZINC000769200598 1303069442 /nfs/dbraw/zinc/06/94/42/1303069442.db2.gz BMYNOTMIIZKRGH-UHFFFAOYSA-N 0 3 326.444 3.195 20 10 EGCDHN CCC[N@@H+](Cc1cnc(N2CCCC2)nc1)Cc1ccccc1[O-] ZINC000769200598 1303069447 /nfs/dbraw/zinc/06/94/47/1303069447.db2.gz BMYNOTMIIZKRGH-UHFFFAOYSA-N 0 3 326.444 3.195 20 10 EGCDHN CCCN(Cc1cnc(N2CCCC2)nc1)Cc1ccccc1O ZINC000769200598 1303069454 /nfs/dbraw/zinc/06/94/54/1303069454.db2.gz BMYNOTMIIZKRGH-UHFFFAOYSA-N 0 3 326.444 3.195 20 10 EGCDHN COc1cc(Br)cc(C[N@H+](C)CCOC(C)(C)C)c1[O-] ZINC000769517847 1303135037 /nfs/dbraw/zinc/13/50/37/1303135037.db2.gz XYWAHGNIGIXBRS-UHFFFAOYSA-N 0 3 346.265 3.410 20 10 EGCDHN COc1cc(Br)cc(C[N@@H+](C)CCOC(C)(C)C)c1[O-] ZINC000769517847 1303135041 /nfs/dbraw/zinc/13/50/41/1303135041.db2.gz XYWAHGNIGIXBRS-UHFFFAOYSA-N 0 3 346.265 3.410 20 10 EGCDHN CCOc1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c([O-])c1 ZINC000770319731 1303248150 /nfs/dbraw/zinc/24/81/50/1303248150.db2.gz BAQGCRLRWSGJEZ-MAUKXSAKSA-N 0 3 331.412 3.472 20 10 EGCDHN CCOc1ccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c([O-])c1 ZINC000770319731 1303248157 /nfs/dbraw/zinc/24/81/57/1303248157.db2.gz BAQGCRLRWSGJEZ-MAUKXSAKSA-N 0 3 331.412 3.472 20 10 EGCDHN COc1cccc([O-])c1C[NH+]1CCC(Oc2ccncc2C)CC1 ZINC000775203533 1303925364 /nfs/dbraw/zinc/92/53/64/1303925364.db2.gz LOTLELZNEAJETA-UHFFFAOYSA-N 0 3 328.412 3.148 20 10 EGCDHN C[C@H](NCC(=O)N(C)Cc1ccccc1F)c1ccc(N(C)C)cc1 ZINC000775836653 1304048098 /nfs/dbraw/zinc/04/80/98/1304048098.db2.gz OUZZZZDYNVCLLH-HNNXBMFYSA-N 0 3 343.446 3.201 20 10 EGCDHN C[C@@H]1[C@@H](C)N(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCN1C ZINC000775987843 1304075718 /nfs/dbraw/zinc/07/57/18/1304075718.db2.gz WMHSYIRZZXEIOO-HZPDHXFCSA-N 0 3 346.475 3.110 20 10 EGCDHN CN(C)c1ccc(CN2CC[C@](O)(c3ccc(F)cc3)C2)cc1F ZINC000777439872 1304297857 /nfs/dbraw/zinc/29/78/57/1304297857.db2.gz PTHZGNPRDQBNKD-LJQANCHMSA-N 0 3 332.394 3.124 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCN(C3CC3)C2)c1[O-] ZINC000779021703 1304519325 /nfs/dbraw/zinc/51/93/25/1304519325.db2.gz GKGGOKZAXIXXAD-WCQYABFASA-N 0 3 339.277 3.350 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1)[C@@H](O)CO2 ZINC000779890384 1304619789 /nfs/dbraw/zinc/61/97/89/1304619789.db2.gz VZUMGZUGXKDMPT-UMURBWECSA-N 0 3 337.419 3.496 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1/C=C/c1ccccc1)[C@@H](O)CO2 ZINC000779890384 1304619793 /nfs/dbraw/zinc/61/97/93/1304619793.db2.gz VZUMGZUGXKDMPT-UMURBWECSA-N 0 3 337.419 3.496 20 10 EGCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H](F)c2ccccc2)N(C)C)cc1 ZINC000891247121 1304999219 /nfs/dbraw/zinc/99/92/19/1304999219.db2.gz FFDWUJKNICDFIW-RTBURBONSA-N 0 3 343.446 3.182 20 10 EGCDHN Cc1ccc([C@@H](CN2CCOCC2)[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000783493128 1305099172 /nfs/dbraw/zinc/09/91/72/1305099172.db2.gz DPHFTECKOXGUPM-YLJYHZDGSA-N 0 3 340.467 3.425 20 10 EGCDHN Cc1ccc(O)c([C@H](C)NCc2ccc(S(C)(=O)=O)s2)c1 ZINC000786962219 1305666959 /nfs/dbraw/zinc/66/69/59/1305666959.db2.gz OUSZBPWNHQRSRS-NSHDSACASA-N 0 3 325.455 3.016 20 10 EGCDHN C[C@@H](NCCOCC(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000788259602 1305910123 /nfs/dbraw/zinc/91/01/23/1305910123.db2.gz NKMQKMMZSWTLKY-GFCCVEGCSA-N 0 3 348.821 3.109 20 10 EGCDHN COc1cc(C)cc(CN[C@H](CC(N)=O)c2cccc(Cl)c2)c1O ZINC000894456348 1308899977 /nfs/dbraw/zinc/89/99/77/1308899977.db2.gz OFWLKVRPSGMLCQ-OAHLLOKOSA-N 0 3 348.830 3.069 20 10 EGCDHN CCOc1cccc(CN(CCO)Cc2cc(C)cc(OC)c2O)c1 ZINC000894944621 1309131839 /nfs/dbraw/zinc/13/18/39/1309131839.db2.gz FFQJROMVCXPYBF-UHFFFAOYSA-N 0 3 345.439 3.102 20 10 EGCDHN COCCC[C@@H](Cc1ccccc1)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000793231383 1309324331 /nfs/dbraw/zinc/32/43/31/1309324331.db2.gz CNLFFHVKKZTMIF-KRWDZBQOSA-N 0 3 343.423 3.248 20 10 EGCDHN COc1ccc(O)c([C@@H](C)NCc2cccc(Br)n2)c1 ZINC000794460626 1309531169 /nfs/dbraw/zinc/53/11/69/1309531169.db2.gz GGHVUNHGAFENKR-SNVBAGLBSA-N 0 3 337.217 3.409 20 10 EGCDHN Cc1cc(CN2C[C@H](C)O[C@]3(CCOC3)C2)c(O)c(C(C)(C)C)c1 ZINC000794702276 1309578037 /nfs/dbraw/zinc/57/80/37/1309578037.db2.gz JQMRPXOGLAMXQO-MGPUTAFESA-N 0 3 333.472 3.378 20 10 EGCDHN CC[C@@H]([NH2+]Cc1cccc(OCC(=O)NC)c1)c1ccc(C)cc1[O-] ZINC000794795727 1309595465 /nfs/dbraw/zinc/59/54/65/1309595465.db2.gz INXFYOYNEPVEGP-GOSISDBHSA-N 0 3 342.439 3.066 20 10 EGCDHN CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000796727894 1310073724 /nfs/dbraw/zinc/07/37/24/1310073724.db2.gz JGVJTOMIKKRSCZ-RKVPGOIHSA-N 0 3 338.467 3.461 20 10 EGCDHN COc1ccc(N2CCC(N[C@@H](C)c3cc(C)n(C)n3)CC2)cc1 ZINC000800477386 1310766919 /nfs/dbraw/zinc/76/69/19/1310766919.db2.gz YSLNHCXFKHRPMI-HNNXBMFYSA-N 0 3 328.460 3.057 20 10 EGCDHN C[C@H]([NH2+]CCCNC(=O)/C=C/c1ccccc1)c1cc(F)ccc1[O-] ZINC000800505173 1310772274 /nfs/dbraw/zinc/77/22/74/1310772274.db2.gz IIGBJPAOZJNIDT-SHQCLWGWSA-N 0 3 342.414 3.402 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@H](O)CC(C)(C)C2)c1[O-] ZINC000825090844 1320309144 /nfs/dbraw/zinc/30/91/44/1320309144.db2.gz JYROHBRIJQRRKX-AWEZNQCLSA-N 0 3 342.277 3.446 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@H](O)CC(C)(C)C2)c1[O-] ZINC000825090844 1320309148 /nfs/dbraw/zinc/30/91/48/1320309148.db2.gz JYROHBRIJQRRKX-AWEZNQCLSA-N 0 3 342.277 3.446 20 10 EGCDHN CCOc1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c([O-])c1 ZINC000802657850 1317022968 /nfs/dbraw/zinc/02/29/68/1317022968.db2.gz AOYXJEZECLFBAH-UHFFFAOYSA-N 0 3 330.384 3.374 20 10 EGCDHN CCOc1ccc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c([O-])c1 ZINC000802657850 1317022976 /nfs/dbraw/zinc/02/29/76/1317022976.db2.gz AOYXJEZECLFBAH-UHFFFAOYSA-N 0 3 330.384 3.374 20 10 EGCDHN [O-]c1cccc(Br)c1CNC1CC[NH+](CC2CC2)CC1 ZINC000858100725 1328682058 /nfs/dbraw/zinc/68/20/58/1328682058.db2.gz MWADJBHFZZQTPX-UHFFFAOYSA-N 0 3 339.277 3.119 20 10 EGCDHN CCOc1ccc(C[NH2+][C@H](CN(C)C)c2ccc(F)cc2)c([O-])c1 ZINC000808425742 1317675136 /nfs/dbraw/zinc/67/51/36/1317675136.db2.gz JLFMNHRKLDSJTO-GOSISDBHSA-N 0 3 332.419 3.323 20 10 EGCDHN C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1cc(Br)ccc1[O-] ZINC000809724454 1317878954 /nfs/dbraw/zinc/87/89/54/1317878954.db2.gz KSOHSRBRAKCZQP-IUODEOHRSA-N 0 3 339.277 3.213 20 10 EGCDHN CCOc1ccc(C[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)c([O-])c1 ZINC000811512827 1318190626 /nfs/dbraw/zinc/19/06/26/1318190626.db2.gz LKLFVUCGVUINDT-SFHVURJKSA-N 0 3 338.451 3.428 20 10 EGCDHN CCOc1ccc(C[N@H+]2CCCN3c4ccccc4C[C@H]3C2)c([O-])c1 ZINC000811512827 1318190631 /nfs/dbraw/zinc/19/06/31/1318190631.db2.gz LKLFVUCGVUINDT-SFHVURJKSA-N 0 3 338.451 3.428 20 10 EGCDHN CCC[N@H+](Cc1ccc2c(c1)oc(=O)n2C)Cc1ccccc1[O-] ZINC000816499754 1319167916 /nfs/dbraw/zinc/16/79/16/1319167916.db2.gz ZFKOGIMWTGJGQL-UHFFFAOYSA-N 0 3 326.396 3.249 20 10 EGCDHN CCC[N@@H+](Cc1ccc2c(c1)oc(=O)n2C)Cc1ccccc1[O-] ZINC000816499754 1319167919 /nfs/dbraw/zinc/16/79/19/1319167919.db2.gz ZFKOGIMWTGJGQL-UHFFFAOYSA-N 0 3 326.396 3.249 20 10 EGCDHN C[C@@H](NCc1ccc2c(c1)oc(=O)n2C)c1ccc(N(C)C)cc1 ZINC000816574093 1319187455 /nfs/dbraw/zinc/18/74/55/1319187455.db2.gz WVJOPQKFBVYZFC-CYBMUJFWSA-N 0 3 325.412 3.048 20 10 EGCDHN CCOc1ccc(C[NH2+][C@H](c2cccnc2)C(C)(C)CO)c([O-])c1 ZINC000816637433 1319198698 /nfs/dbraw/zinc/19/86/98/1319198698.db2.gz DGHAXNSDDPUCJN-GOSISDBHSA-N 0 3 330.428 3.035 20 10 EGCDHN CN(C)C(=O)OC1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000816655009 1319201818 /nfs/dbraw/zinc/20/18/18/1319201818.db2.gz LURGFWBDNMGXHO-UHFFFAOYSA-N 0 3 328.412 3.208 20 10 EGCDHN CC(=O)N[C@@H]1CCN(Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000817414042 1319352890 /nfs/dbraw/zinc/35/28/90/1319352890.db2.gz BMKNPYQHIQGSEG-QGZVFWFLSA-N 0 3 343.496 3.095 20 10 EGCDHN CCc1nc(CNC[C@H]2CCN(c3ccc(OC)cc3)C2)cs1 ZINC000818221867 1319523022 /nfs/dbraw/zinc/52/30/22/1319523022.db2.gz USQGJOJHIXPMES-CQSZACIVSA-N 0 3 331.485 3.330 20 10 EGCDHN CCN1CCC[C@H]1CNC(=O)c1sccc1-n1c(C)ccc1C ZINC000917393580 1319799847 /nfs/dbraw/zinc/79/98/47/1319799847.db2.gz QGRHJKFWVBGTAL-HNNXBMFYSA-N 0 3 331.485 3.370 20 10 EGCDHN Cc1cccc(CN2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]32)c1O ZINC000822507354 1320090766 /nfs/dbraw/zinc/09/07/66/1320090766.db2.gz AWIFMZDNZOSMOH-HOCLYGCPSA-N 0 3 332.444 3.142 20 10 EGCDHN COc1cc(Br)cc(C[NH2+]CC2(OC)CCCC2)c1[O-] ZINC000824446294 1320258720 /nfs/dbraw/zinc/25/87/20/1320258720.db2.gz VGKLMOZQHWDOEQ-UHFFFAOYSA-N 0 3 344.249 3.212 20 10 EGCDHN CC[C@](C)(C[NH2+]Cc1cc(Br)cc(OC)c1[O-])OC ZINC000824743633 1320281729 /nfs/dbraw/zinc/28/17/29/1320281729.db2.gz JLVWXRJWCZADBD-CQSZACIVSA-N 0 3 332.238 3.068 20 10 EGCDHN COCC(COC)NCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000824921781 1320296495 /nfs/dbraw/zinc/29/64/95/1320296495.db2.gz QZEAUQAAFWPXMN-UHFFFAOYSA-N 0 3 340.467 3.000 20 10 EGCDHN Cc1cc([O-])c(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1Cl ZINC000824938182 1320298241 /nfs/dbraw/zinc/29/82/41/1320298241.db2.gz GSERLZCQAJWPSY-QILLFSRXSA-N 0 3 338.879 3.038 20 10 EGCDHN COc1cc(CNCc2ccc(N3CCOCC3)cc2)ccc1Cl ZINC000825145261 1320314739 /nfs/dbraw/zinc/31/47/39/1320314739.db2.gz XWWQBMFSHJIWKO-UHFFFAOYSA-N 0 3 346.858 3.475 20 10 EGCDHN COCCc1ccc(OC[C@@H](C)[NH2+]Cc2ccc(OC)cc2[O-])cc1 ZINC000825753924 1320360532 /nfs/dbraw/zinc/36/05/32/1320360532.db2.gz XBLMOPXYXDCACQ-OAHLLOKOSA-N 0 3 345.439 3.147 20 10 EGCDHN O=C1OCCN1[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000826994612 1320418810 /nfs/dbraw/zinc/41/88/10/1320418810.db2.gz LSWGAMBHYNRFBI-SFHVURJKSA-N 0 3 338.407 3.086 20 10 EGCDHN O=C1OCCN1[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000826994612 1320418816 /nfs/dbraw/zinc/41/88/16/1320418816.db2.gz LSWGAMBHYNRFBI-SFHVURJKSA-N 0 3 338.407 3.086 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CC2(CS(C)(=O)=O)CCC2)c1[O-] ZINC000840889563 1321171163 /nfs/dbraw/zinc/17/11/63/1321171163.db2.gz IPCRUQUGOFYSGZ-LBPRGKRZSA-N 0 3 345.892 3.220 20 10 EGCDHN CC[C@](C[NH2+]Cc1c([O-])cccc1OC)(C(=O)OC)c1ccccc1 ZINC000840977296 1321192424 /nfs/dbraw/zinc/19/24/24/1321192424.db2.gz HBWBRDZGCXCWHK-HXUWFJFHSA-N 0 3 343.423 3.011 20 10 EGCDHN COc1cc(Br)cc(C[NH2+]C[C@H](CC(C)C)OC)c1[O-] ZINC000841888728 1321326614 /nfs/dbraw/zinc/32/66/14/1321326614.db2.gz OTFJDXSGEHGOHX-ZDUSSCGKSA-N 0 3 346.265 3.314 20 10 EGCDHN CC[C@@H](C)C[C@H](CO)[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000842753063 1321427511 /nfs/dbraw/zinc/42/75/11/1321427511.db2.gz BSYBMTMHIHKFTF-ZWNOBZJWSA-N 0 3 346.265 3.050 20 10 EGCDHN CCc1cccc(CNCc2ccncc2OC[C@@H]2CCOC2)c1O ZINC000848911309 1322042949 /nfs/dbraw/zinc/04/29/49/1322042949.db2.gz FSHSOYBUSAJOKP-OAHLLOKOSA-N 0 3 342.439 3.055 20 10 EGCDHN Cc1cc(C(=O)N[C@H]2CCN(C3CC3)C2)c(C)n1-c1cccc(C)c1 ZINC000920302571 1322160316 /nfs/dbraw/zinc/16/03/16/1322160316.db2.gz PJERSNVMKKTKMW-KRWDZBQOSA-N 0 3 337.467 3.369 20 10 EGCDHN c1cc(CNCc2ccc(O[C@H]3CCOC3)cc2)cc2c1OCC2 ZINC000850112153 1322193526 /nfs/dbraw/zinc/19/35/26/1322193526.db2.gz UGWHIBRJYXDXEF-IBGZPJMESA-N 0 3 325.408 3.079 20 10 EGCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cccc2c1CNC2 ZINC000852884432 1323249368 /nfs/dbraw/zinc/24/93/68/1323249368.db2.gz YHFRYJUYNQKAGU-UHFFFAOYSA-N 0 3 337.467 3.407 20 10 EGCDHN CCOc1cccc(CN2CCN(C)[C@H](c3ccccc3)C2)c1O ZINC001203609513 1370186963 /nfs/dbraw/zinc/18/69/63/1370186963.db2.gz WBXKEHIOXUMORC-SFHVURJKSA-N 0 3 326.440 3.280 20 10 EGCDHN COc1ccc(C[NH+]2CCC(Oc3ncccc3C)CC2)c([O-])c1 ZINC001203634898 1370195418 /nfs/dbraw/zinc/19/54/18/1370195418.db2.gz ANVFCLLDHNCRCO-UHFFFAOYSA-N 0 3 328.412 3.148 20 10 EGCDHN Oc1ccc(CN2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)c(O)c1 ZINC001204280699 1370431086 /nfs/dbraw/zinc/43/10/86/1370431086.db2.gz MYJWJZQWSQVUQF-OKILXGFUSA-N 0 3 333.391 3.128 20 10 EGCDHN Cc1nc([C@H]2CCCN(Cc3ccc(N4CCCC4)cc3)C2)no1 ZINC001204326263 1370444764 /nfs/dbraw/zinc/44/47/64/1370444764.db2.gz WJJUZXWFMFNIGF-KRWDZBQOSA-N 0 3 326.444 3.358 20 10 EGCDHN Cc1nccnc1O[C@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001204329738 1370445372 /nfs/dbraw/zinc/44/53/72/1370445372.db2.gz YRRLKJDXSWGESO-IBGZPJMESA-N 0 3 338.455 3.039 20 10 EGCDHN Cc1cc(Br)c([O-])c(CN2CCC[C@@](C)([NH3+])CC2)c1 ZINC001205288131 1370708240 /nfs/dbraw/zinc/70/82/40/1370708240.db2.gz GPHJDLVJJXFHOJ-OAHLLOKOSA-N 0 3 327.266 3.166 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+]CCC(=O)N2CCC[C@@H](C)C2)c2c1c(F)ccc2[O-] ZINC001116589332 1370941572 /nfs/dbraw/zinc/94/15/72/1370941572.db2.gz UHBZUQWJZMIPDK-UMVBOHGHSA-N 0 3 334.435 3.318 20 10 EGCDHN COc1cccc([O-])c1C[NH+]1CCC(O)(Cc2ccccc2F)CC1 ZINC001116828938 1370982887 /nfs/dbraw/zinc/98/28/87/1370982887.db2.gz CNPKLDVXZVKWSU-UHFFFAOYSA-N 0 3 345.414 3.110 20 10 EGCDHN COCC[NH+](CCOC)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001231465467 1376247333 /nfs/dbraw/zinc/24/73/33/1376247333.db2.gz BPQLFUULTKGNGT-UHFFFAOYSA-N 0 3 345.439 3.066 20 10 EGCDHN C[N@H+](CCc1ccccn1)Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237051266 1376971508 /nfs/dbraw/zinc/97/15/08/1376971508.db2.gz JFANMFNPIMSGOP-UHFFFAOYSA-N 0 3 340.345 3.403 20 10 EGCDHN C[N@@H+](CCc1ccccn1)Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237051266 1376971511 /nfs/dbraw/zinc/97/15/11/1376971511.db2.gz JFANMFNPIMSGOP-UHFFFAOYSA-N 0 3 340.345 3.403 20 10 EGCDHN CC(=O)C1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2[O-])CC1 ZINC001237058214 1376974131 /nfs/dbraw/zinc/97/41/31/1376974131.db2.gz WYVTUZZJBYZJPO-UHFFFAOYSA-N 0 3 331.334 3.134 20 10 EGCDHN COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])C1 ZINC001237141395 1376976080 /nfs/dbraw/zinc/97/60/80/1376976080.db2.gz WIVKHKILBLIYAA-ZYHUDNBSSA-N 0 3 331.334 3.042 20 10 EGCDHN COC(=O)[C@@H]1C[C@@H](C)C[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])C1 ZINC001237141395 1376976083 /nfs/dbraw/zinc/97/60/83/1376976083.db2.gz WIVKHKILBLIYAA-ZYHUDNBSSA-N 0 3 331.334 3.042 20 10 EGCDHN COC(=O)[C@@H]1C[C@@H](C)CN(Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237141395 1376976089 /nfs/dbraw/zinc/97/60/89/1376976089.db2.gz WIVKHKILBLIYAA-ZYHUDNBSSA-N 0 3 331.334 3.042 20 10 EGCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@](C)(O)[C@H](C)C2)cc1Br ZINC001237676469 1376983423 /nfs/dbraw/zinc/98/34/23/1376983423.db2.gz IMOKBLHDPUNFLZ-ABAIWWIYSA-N 0 3 328.250 3.056 20 10 EGCDHN Cc1cc([O-])c(C[N@H+]2CC[C@](C)(O)[C@H](C)C2)cc1Br ZINC001237676469 1376983434 /nfs/dbraw/zinc/98/34/34/1376983434.db2.gz IMOKBLHDPUNFLZ-ABAIWWIYSA-N 0 3 328.250 3.056 20 10 EGCDHN [O-]c1cccc(F)c1C[N@@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001137841849 1377629184 /nfs/dbraw/zinc/62/91/84/1377629184.db2.gz XLSCMNZNGDPBAA-VQIMIIECSA-N 0 3 326.415 3.238 20 10 EGCDHN [O-]c1cccc(F)c1C[N@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001137841849 1377629186 /nfs/dbraw/zinc/62/91/86/1377629186.db2.gz XLSCMNZNGDPBAA-VQIMIIECSA-N 0 3 326.415 3.238 20 10 EGCDHN COCCCCN1CCN(Cc2c(C)n(C)c3ccccc32)CC1 ZINC001138259906 1377694767 /nfs/dbraw/zinc/69/47/67/1377694767.db2.gz QQGHVNATACVJAH-UHFFFAOYSA-N 0 3 329.488 3.031 20 10 EGCDHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1cnc2[nH]ccc2c1 ZINC001138739076 1377776292 /nfs/dbraw/zinc/77/62/92/1377776292.db2.gz GUPBNPGUTWWRMC-UHFFFAOYSA-N 0 3 336.439 3.032 20 10 EGCDHN CC[N@H+](Cc1ccccc1[O-])Cc1ccccc1N1CCC(O)CC1 ZINC001138761856 1377781227 /nfs/dbraw/zinc/78/12/27/1377781227.db2.gz AVHXFCGWRZFCRB-UHFFFAOYSA-N 0 3 340.467 3.375 20 10 EGCDHN CC[N@@H+](Cc1ccccc1[O-])Cc1ccccc1N1CCC(O)CC1 ZINC001138761856 1377781231 /nfs/dbraw/zinc/78/12/31/1377781231.db2.gz AVHXFCGWRZFCRB-UHFFFAOYSA-N 0 3 340.467 3.375 20 10 EGCDHN Cc1cc(CN2CC[C@@H](F)[C@@](O)(C(F)(F)F)CC2)ccc1N(C)C ZINC001139669980 1377930579 /nfs/dbraw/zinc/93/05/79/1377930579.db2.gz STRSZUOENBXRDI-HZPDHXFCSA-N 0 3 348.384 3.288 20 10 EGCDHN Cc1cc(CN2CC[C@H](F)[C@@](O)(C(F)(F)F)CC2)ccc1N(C)C ZINC001139669981 1377930635 /nfs/dbraw/zinc/93/06/35/1377930635.db2.gz STRSZUOENBXRDI-JKSUJKDBSA-N 0 3 348.384 3.288 20 10 EGCDHN C[N@@H+](Cc1cc(F)ccc1[O-])C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140055159 1377996902 /nfs/dbraw/zinc/99/69/02/1377996902.db2.gz MEYVQCOUHJPRMO-ZDUSSCGKSA-N 0 3 338.423 3.220 20 10 EGCDHN C[N@H+](Cc1cc(F)ccc1[O-])C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140055159 1377996903 /nfs/dbraw/zinc/99/69/03/1377996903.db2.gz MEYVQCOUHJPRMO-ZDUSSCGKSA-N 0 3 338.423 3.220 20 10 EGCDHN Cc1ccc(C)c(CN2CC(C)(CNC(=O)OC(C)(C)C)C2)c1O ZINC001140185390 1378028368 /nfs/dbraw/zinc/02/83/68/1378028368.db2.gz UNBNAIKXGJPABD-UHFFFAOYSA-N 0 3 334.460 3.356 20 10 EGCDHN CC[N@H+]([C@H]1CCOC1)C1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001140467256 1378068970 /nfs/dbraw/zinc/06/89/70/1378068970.db2.gz SGUVVPWHDTWTQX-KRWDZBQOSA-N 0 3 338.879 3.121 20 10 EGCDHN CC[N@@H+]([C@H]1CCOC1)C1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001140467256 1378068971 /nfs/dbraw/zinc/06/89/71/1378068971.db2.gz SGUVVPWHDTWTQX-KRWDZBQOSA-N 0 3 338.879 3.121 20 10 EGCDHN Cc1c(O)ccc(CN2CCN(c3nccc4ccccc43)CC2)c1O ZINC001140745811 1378128588 /nfs/dbraw/zinc/12/85/88/1378128588.db2.gz NPHTYEDOKZAKDJ-UHFFFAOYSA-N 0 3 349.434 3.277 20 10 EGCDHN CCCNC(=O)[C@@H]1CCCCN1Cc1ccc(N(CC)CC)cc1O ZINC001140855247 1378157990 /nfs/dbraw/zinc/15/79/90/1378157990.db2.gz UDHIQEQZJNAXMJ-SFHVURJKSA-N 0 3 347.503 3.119 20 10 EGCDHN COc1ccc(CC[N@@H+](Cc2ccc(C)cc2[O-])C[C@@H](C)O)cc1 ZINC001140948325 1378188201 /nfs/dbraw/zinc/18/82/01/1378188201.db2.gz DVQWXPKXCYCKHD-MRXNPFEDSA-N 0 3 329.440 3.135 20 10 EGCDHN COc1ccc(CC[N@H+](Cc2ccc(C)cc2[O-])C[C@@H](C)O)cc1 ZINC001140948325 1378188203 /nfs/dbraw/zinc/18/82/03/1378188203.db2.gz DVQWXPKXCYCKHD-MRXNPFEDSA-N 0 3 329.440 3.135 20 10 EGCDHN Cc1ccc(C[N@@H+]2CCc3ncnc(-c4ccncc4)c3CC2)c([O-])c1 ZINC001140949768 1378190125 /nfs/dbraw/zinc/19/01/25/1378190125.db2.gz KLWPLIIHVIBHIQ-UHFFFAOYSA-N 0 3 346.434 3.153 20 10 EGCDHN Cc1ccc(C[N@H+]2CCc3ncnc(-c4ccncc4)c3CC2)c([O-])c1 ZINC001140949768 1378190129 /nfs/dbraw/zinc/19/01/29/1378190129.db2.gz KLWPLIIHVIBHIQ-UHFFFAOYSA-N 0 3 346.434 3.153 20 10 EGCDHN COc1ccc(CN(C)Cc2ccc3c(c2)OCCN3C)cc1OC ZINC001141142787 1378249051 /nfs/dbraw/zinc/24/90/51/1378249051.db2.gz BDJCAQRKSYSSEP-UHFFFAOYSA-N 0 3 342.439 3.164 20 10 EGCDHN Oc1ccc(O)c(CN2CCN([C@H]3CCCc4ccccc43)CC2)c1 ZINC001141161841 1378254507 /nfs/dbraw/zinc/25/45/07/1378254507.db2.gz ZZAUVKMCCCZXEG-FQEVSTJZSA-N 0 3 338.451 3.293 20 10 EGCDHN O=C(OCc1ccccc1)[C@@H]1CCCN(Cc2cc(O)ccc2O)C1 ZINC001141163258 1378256575 /nfs/dbraw/zinc/25/65/75/1378256575.db2.gz XOGRHUGHUXHFTQ-MRXNPFEDSA-N 0 3 341.407 3.053 20 10 EGCDHN COc1ccc(CN[C@@H]2C[C@H](C)c3c2c(O)ccc3C)c(OC)n1 ZINC001327532290 1388553221 /nfs/dbraw/zinc/55/32/21/1388553221.db2.gz JTCZAAPXYUVSOB-GXTWGEPZSA-N 0 3 328.412 3.451 20 10 EGCDHN CCOc1ccc(N2CCN(Cc3ccnc4[nH]ccc43)CC2)cc1 ZINC001142884100 1378504510 /nfs/dbraw/zinc/50/45/10/1378504510.db2.gz WBDMRSRTVVAXAS-UHFFFAOYSA-N 0 3 336.439 3.284 20 10 EGCDHN COc1ccc(N2CCN(CCCNc3ccc(O)cc3)CC2)cc1 ZINC001164334059 1383178521 /nfs/dbraw/zinc/17/85/21/1383178521.db2.gz KIUQDPJMXAGRMF-UHFFFAOYSA-N 0 3 341.455 3.025 20 10 EGCDHN COc1ccc(C[C@H](C)[N@@H+]2CCc3cccc([O-])c3C2)c([N+](=O)[O-])c1 ZINC001170352674 1384298348 /nfs/dbraw/zinc/29/83/48/1384298348.db2.gz PVIHTDZWEOLABK-ZDUSSCGKSA-N 0 3 342.395 3.298 20 10 EGCDHN COc1ccc(C[C@H](C)[N@H+]2CCc3cccc([O-])c3C2)c([N+](=O)[O-])c1 ZINC001170352674 1384298353 /nfs/dbraw/zinc/29/83/53/1384298353.db2.gz PVIHTDZWEOLABK-ZDUSSCGKSA-N 0 3 342.395 3.298 20 10 EGCDHN C[N@H+](Cc1ccccc1[O-])C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001173005805 1384897157 /nfs/dbraw/zinc/89/71/57/1384897157.db2.gz GFVJQCNJEMKVDR-UHFFFAOYSA-N 0 3 342.414 3.268 20 10 EGCDHN C[N@@H+](Cc1ccccc1[O-])C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001173005805 1384897161 /nfs/dbraw/zinc/89/71/61/1384897161.db2.gz GFVJQCNJEMKVDR-UHFFFAOYSA-N 0 3 342.414 3.268 20 10 EGCDHN C[C@@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)c1ccsc1 ZINC001321395201 1386893436 /nfs/dbraw/zinc/89/34/36/1386893436.db2.gz BKJIEYKMSXACIN-CQSZACIVSA-N 0 3 333.476 3.490 20 10 EGCDHN Fc1cc(CNCc2cccc3cc[nH]c32)ccc1N1CCOCC1 ZINC000237851968 455225776 /nfs/dbraw/zinc/22/57/76/455225776.db2.gz LBRMGMAURNHQHM-UHFFFAOYSA-N 0 3 339.414 3.433 20 10 EGCDHN C[C@@H](O)[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000183169735 455242755 /nfs/dbraw/zinc/24/27/55/455242755.db2.gz HFKDXNBJTRABFL-WBVHZDCISA-N 0 3 327.424 3.174 20 10 EGCDHN C[C@@H](O)[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000183169735 455242756 /nfs/dbraw/zinc/24/27/56/455242756.db2.gz HFKDXNBJTRABFL-WBVHZDCISA-N 0 3 327.424 3.174 20 10 EGCDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)c1ccccc1F)C[C@@H]1CCCO1 ZINC000264730248 455271588 /nfs/dbraw/zinc/27/15/88/455271588.db2.gz QWOJCCYEAYPPHI-OXJNMPFZSA-N 0 3 345.414 3.246 20 10 EGCDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)c1ccccc1F)C[C@@H]1CCCO1 ZINC000264730248 455271589 /nfs/dbraw/zinc/27/15/89/455271589.db2.gz QWOJCCYEAYPPHI-OXJNMPFZSA-N 0 3 345.414 3.246 20 10 EGCDHN Cc1ccc([C@@H](C[NH2+][C@H](C)c2ccccc2[O-])N2CCOCC2)o1 ZINC000183392798 455287144 /nfs/dbraw/zinc/28/71/44/455287144.db2.gz PCWIDSWHZCERSC-NVXWUHKLSA-N 0 3 330.428 3.018 20 10 EGCDHN C[C@H]([NH2+][C@H]1CC(=O)N(c2c(F)cccc2F)C1)c1ccccc1[O-] ZINC000183589907 455309048 /nfs/dbraw/zinc/30/90/48/455309048.db2.gz DDURDESRZQLRNG-RYUDHWBXSA-N 0 3 332.350 3.127 20 10 EGCDHN COc1ccc(N2CCCN(C[C@H](O)c3ccccc3F)CC2)cc1 ZINC000076548158 454014061 /nfs/dbraw/zinc/01/40/61/454014061.db2.gz XPNQBEOEBWJCPV-FQEVSTJZSA-N 0 3 344.430 3.080 20 10 EGCDHN COc1cc(CN(C)Cc2cc3c(cc2O)OCO3)ccc1SC ZINC000058540806 454213392 /nfs/dbraw/zinc/21/33/92/454213392.db2.gz GZQPMRPQGBTWEU-UHFFFAOYSA-N 0 3 347.436 3.483 20 10 EGCDHN C[C@@H](NCc1cccc(CS(C)(=O)=O)c1)c1ccc(N(C)C)cc1 ZINC000131579441 454266280 /nfs/dbraw/zinc/26/62/80/454266280.db2.gz LLLOLCKKNUFKCL-OAHLLOKOSA-N 0 3 346.496 3.148 20 10 EGCDHN COc1cc(Cl)cc(CN(C)[C@H]2CCCc3c2cnn3C)c1O ZINC000184701540 455431859 /nfs/dbraw/zinc/43/18/59/455431859.db2.gz KDCPEJJHKKRRMI-AWEZNQCLSA-N 0 3 335.835 3.297 20 10 EGCDHN CC[C@@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1ccccc1[O-] ZINC000121087578 454389978 /nfs/dbraw/zinc/38/99/78/454389978.db2.gz JEHDDAJEWMJMSI-QGZVFWFLSA-N 0 3 333.453 3.297 20 10 EGCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000091895099 454486104 /nfs/dbraw/zinc/48/61/04/454486104.db2.gz FOOAPVVYRNNGFV-UHFFFAOYSA-N 0 3 339.435 3.441 20 10 EGCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CCOC2(CCOCC2)C1 ZINC000091895099 454486105 /nfs/dbraw/zinc/48/61/05/454486105.db2.gz FOOAPVVYRNNGFV-UHFFFAOYSA-N 0 3 339.435 3.441 20 10 EGCDHN COc1cccc(CN(CCCO)Cc2cccc(Cl)c2)c1O ZINC000092063605 454510316 /nfs/dbraw/zinc/51/03/16/454510316.db2.gz IKCHDNWFHLVHLJ-UHFFFAOYSA-N 0 3 335.831 3.439 20 10 EGCDHN Cc1ccc(C(=O)NC2CC[NH+](Cc3cc(C)ccc3[O-])CC2)s1 ZINC000092674053 454607500 /nfs/dbraw/zinc/60/75/00/454607500.db2.gz YBJIVFBTMGUJJR-UHFFFAOYSA-N 0 3 344.480 3.465 20 10 EGCDHN Cc1nccn1C[C@@H](C)C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000105442928 454639274 /nfs/dbraw/zinc/63/92/74/454639274.db2.gz SMVPPDZKYILJOF-NSHDSACASA-N 0 3 338.249 3.086 20 10 EGCDHN COc1cccc([C@H](C[NH2+][C@@H](C)c2cc(F)ccc2[O-])N(C)C)c1 ZINC000176980322 454807259 /nfs/dbraw/zinc/80/72/59/454807259.db2.gz ZCGULYVWPAOIKV-UGSOOPFHSA-N 0 3 332.419 3.493 20 10 EGCDHN Cc1c(NC(=O)CC[N@@H+](C)Cc2ccccc2[O-])cccc1[N+](=O)[O-] ZINC000109772531 454836069 /nfs/dbraw/zinc/83/60/69/454836069.db2.gz FRHCDAZJHYBOMK-UHFFFAOYSA-N 0 3 343.383 3.069 20 10 EGCDHN Cc1c(NC(=O)CC[N@H+](C)Cc2ccccc2[O-])cccc1[N+](=O)[O-] ZINC000109772531 454836070 /nfs/dbraw/zinc/83/60/70/454836070.db2.gz FRHCDAZJHYBOMK-UHFFFAOYSA-N 0 3 343.383 3.069 20 10 EGCDHN CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCCCN1CC ZINC000111884381 454877463 /nfs/dbraw/zinc/87/74/63/454877463.db2.gz AXSOUWNCOVLGIQ-QGZVFWFLSA-N 0 3 333.476 3.188 20 10 EGCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1C ZINC000170638591 454946394 /nfs/dbraw/zinc/94/63/94/454946394.db2.gz ZSHKBVSNQUQYFF-HNNXBMFYSA-N 0 3 334.460 3.356 20 10 EGCDHN Cc1cc([O-])c(C[N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1C ZINC000170638591 454946398 /nfs/dbraw/zinc/94/63/98/454946398.db2.gz ZSHKBVSNQUQYFF-HNNXBMFYSA-N 0 3 334.460 3.356 20 10 EGCDHN CC[C@@H]([NH2+]C[C@@H](c1ccc(C)o1)N1CCOCC1)c1ccccc1[O-] ZINC000154969718 454948835 /nfs/dbraw/zinc/94/88/35/454948835.db2.gz FHMATTABJASYNM-MSOLQXFVSA-N 0 3 344.455 3.408 20 10 EGCDHN C[C@@H](N[C@@H](C)CN1CCCC1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000178490807 454956618 /nfs/dbraw/zinc/95/66/18/454956618.db2.gz IDWDAOITDSXNBB-JKSUJKDBSA-N 0 3 347.478 3.478 20 10 EGCDHN Cc1cccc(CN2CCCN(C(=O)c3cccc(F)c3)CC2)c1O ZINC000179675075 455066168 /nfs/dbraw/zinc/06/61/68/455066168.db2.gz GQBOKBGBNFNUCI-UHFFFAOYSA-N 0 3 342.414 3.188 20 10 EGCDHN Cc1cccc(C(=O)N2CCCN(Cc3cccc(C)c3O)CC2)c1 ZINC000179675305 455066414 /nfs/dbraw/zinc/06/64/14/455066414.db2.gz ZGZZQRHNDYSATI-UHFFFAOYSA-N 0 3 338.451 3.357 20 10 EGCDHN C[C@H]([NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccccc1[O-] ZINC000183524215 455302677 /nfs/dbraw/zinc/30/26/77/455302677.db2.gz HCKOGEHAXPVEBH-ZBEGNZNMSA-N 0 3 349.814 3.201 20 10 EGCDHN C[C@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)c1cc(F)ccc1[O-] ZINC000184904404 455469956 /nfs/dbraw/zinc/46/99/56/455469956.db2.gz XWIGECJQWRWLRJ-HNAYVOBHSA-N 0 3 344.430 3.255 20 10 EGCDHN CC(=O)c1cc(F)cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1[O-] ZINC000246509224 455503621 /nfs/dbraw/zinc/50/36/21/455503621.db2.gz IBZPWEMWGOSHGS-LIRRHRJNSA-N 0 3 346.446 3.183 20 10 EGCDHN CC(=O)c1cc(F)cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1[O-] ZINC000246509224 455503626 /nfs/dbraw/zinc/50/36/26/455503626.db2.gz IBZPWEMWGOSHGS-LIRRHRJNSA-N 0 3 346.446 3.183 20 10 EGCDHN C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1)c1ccccc1[O-] ZINC000191836048 455523698 /nfs/dbraw/zinc/52/36/98/455523698.db2.gz USUNDLOVQRIQNW-PKOBYXMFSA-N 0 3 340.467 3.334 20 10 EGCDHN C[C@H]([NH2+]CCCc1nnc2n1CCCCC2)c1cc(F)ccc1[O-] ZINC000185321962 455540081 /nfs/dbraw/zinc/54/00/81/455540081.db2.gz LXTRSRUNTRNKHO-ZDUSSCGKSA-N 0 3 332.423 3.133 20 10 EGCDHN C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cccc(O)c2[O-])CC1 ZINC000185671424 455592961 /nfs/dbraw/zinc/59/29/61/455592961.db2.gz DZFPRTGQSRZETH-AWEZNQCLSA-N 0 3 340.423 3.053 20 10 EGCDHN Cc1cc(C)c([C@@H](C)[NH2+]CCc2nnc3n2CCCCC3)c([O-])c1 ZINC000283964950 455616951 /nfs/dbraw/zinc/61/69/51/455616951.db2.gz GIGSKRABXZMMEA-OAHLLOKOSA-N 0 3 328.460 3.220 20 10 EGCDHN COc1ccc([C@@H](OC)[C@@H](C)[NH2+]Cc2cccc(OC)c2[O-])cc1 ZINC000271583576 455691909 /nfs/dbraw/zinc/69/19/09/455691909.db2.gz VPWPGLZDQCZNJC-YJYMSZOUSA-N 0 3 331.412 3.275 20 10 EGCDHN COc1ccc(O)c([C@@H](C)NCc2cccnc2OCC(F)F)c1 ZINC000186199230 455714836 /nfs/dbraw/zinc/71/48/36/455714836.db2.gz SPBKSLHTUQRICN-LLVKDONJSA-N 0 3 338.354 3.291 20 10 EGCDHN CCN(CC)c1ccc(CN[C@H](CC(N)=O)c2ccccc2)cc1 ZINC000293029835 455771525 /nfs/dbraw/zinc/77/15/25/455771525.db2.gz PREWBJCPGSDRDN-LJQANCHMSA-N 0 3 325.456 3.239 20 10 EGCDHN C[C@@H](NCc1cccc(N2CCOCC2)c1)c1ccc(N(C)C)cc1 ZINC000293709617 455795049 /nfs/dbraw/zinc/79/50/49/455795049.db2.gz MQRRZSFSFMBRTH-QGZVFWFLSA-N 0 3 339.483 3.440 20 10 EGCDHN CCN(CC)c1ccc(CNCc2ccc3c(c2)NC(=O)CO3)cc1 ZINC000294223397 455808757 /nfs/dbraw/zinc/80/87/57/455808757.db2.gz LZVPSKJBKAEVLD-UHFFFAOYSA-N 0 3 339.439 3.154 20 10 EGCDHN COc1cc(Cl)cc(CNCc2cnc(OC)c(Cl)c2)c1O ZINC000295139604 455841371 /nfs/dbraw/zinc/84/13/71/455841371.db2.gz ZPXIKHVDHRVJEL-UHFFFAOYSA-N 0 3 343.210 3.401 20 10 EGCDHN CCn1cc([C@@H](C)NCc2ccc(N3CCC(OC)CC3)cc2)cn1 ZINC000295933747 455863068 /nfs/dbraw/zinc/86/30/68/455863068.db2.gz GCPFYSFTFNNZLN-MRXNPFEDSA-N 0 3 342.487 3.369 20 10 EGCDHN CC[C@@H]([NH2+]CCCNC(=O)c1occc1C)c1ccc(C)cc1[O-] ZINC000279947620 455878153 /nfs/dbraw/zinc/87/81/53/455878153.db2.gz BNSNUIOXGMOSOJ-MRXNPFEDSA-N 0 3 330.428 3.463 20 10 EGCDHN C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000187194050 455879870 /nfs/dbraw/zinc/87/98/70/455879870.db2.gz GLXJMSIMINEQNZ-HNNXBMFYSA-N 0 3 346.471 3.215 20 10 EGCDHN C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000187194050 455879875 /nfs/dbraw/zinc/87/98/75/455879875.db2.gz GLXJMSIMINEQNZ-HNNXBMFYSA-N 0 3 346.471 3.215 20 10 EGCDHN CC[C@H]([NH2+]Cc1cccc(OCC(=O)OC)c1)c1ccc(C)cc1[O-] ZINC000280113379 455895184 /nfs/dbraw/zinc/89/51/84/455895184.db2.gz NTKQRHJDFMRACJ-SFHVURJKSA-N 0 3 343.423 3.493 20 10 EGCDHN CCS(=O)(=O)c1ccc(CN[C@H](C)c2ccccc2O)s1 ZINC000280151477 455903658 /nfs/dbraw/zinc/90/36/58/455903658.db2.gz QFFGVSWEWSZRCL-LLVKDONJSA-N 0 3 325.455 3.098 20 10 EGCDHN CC[C@H]([NH2+]CCn1cc(Br)cn1)c1ccc(C)cc1[O-] ZINC000285838286 455927022 /nfs/dbraw/zinc/92/70/22/455927022.db2.gz YFPJBOUHIBVWDT-AWEZNQCLSA-N 0 3 338.249 3.401 20 10 EGCDHN [O-]c1ccc(F)cc1C[NH2+]CCc1ccc(OCC(F)(F)F)nc1 ZINC000187629583 455932352 /nfs/dbraw/zinc/93/23/52/455932352.db2.gz NCDFPRYSVKXREI-UHFFFAOYSA-N 0 3 344.308 3.200 20 10 EGCDHN Cc1cnccc1CNCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000296512335 455959230 /nfs/dbraw/zinc/95/92/30/455959230.db2.gz RPHDKQNYSVFVQQ-HZPDHXFCSA-N 0 3 343.446 3.433 20 10 EGCDHN COCC[N@H+](CCc1ccccc1)Cc1cc(OC)c(OC)cc1[O-] ZINC000271125491 456133285 /nfs/dbraw/zinc/13/32/85/456133285.db2.gz ZOLXUBVSVJODMZ-UHFFFAOYSA-N 0 3 345.439 3.101 20 10 EGCDHN COCC[N@@H+](CCc1ccccc1)Cc1cc(OC)c(OC)cc1[O-] ZINC000271125491 456133286 /nfs/dbraw/zinc/13/32/86/456133286.db2.gz ZOLXUBVSVJODMZ-UHFFFAOYSA-N 0 3 345.439 3.101 20 10 EGCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)cc1OC ZINC000281225486 456170918 /nfs/dbraw/zinc/17/09/18/456170918.db2.gz KRMXZTQXKFELBO-LLLHUVSDSA-N 0 3 349.471 3.171 20 10 EGCDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)cc1OC ZINC000281225486 456170923 /nfs/dbraw/zinc/17/09/23/456170923.db2.gz KRMXZTQXKFELBO-LLLHUVSDSA-N 0 3 349.471 3.171 20 10 EGCDHN COCC1(O)CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000271213857 456176847 /nfs/dbraw/zinc/17/68/47/456176847.db2.gz ZPMUOBNGNRPNMC-UHFFFAOYSA-N 0 3 327.424 3.033 20 10 EGCDHN Cc1ccc([C@@H](C)NCCS(=O)(=O)c2ccccc2)c(O)c1C ZINC000273435177 456229754 /nfs/dbraw/zinc/22/97/54/456229754.db2.gz WTMUZGKBDNYIJW-OAHLLOKOSA-N 0 3 333.453 3.134 20 10 EGCDHN CCNC(=O)COc1cccc(C[NH2+][C@@H](C)c2cc(C)ccc2[O-])c1 ZINC000273441957 456232055 /nfs/dbraw/zinc/23/20/55/456232055.db2.gz YVZBHMPJFZAZQC-HNNXBMFYSA-N 0 3 342.439 3.066 20 10 EGCDHN COc1ccc2c(c1)OC[C@@H]([NH2+][C@H](C)c1cc(OC)ccc1[O-])C2 ZINC000273477751 456233881 /nfs/dbraw/zinc/23/38/81/456233881.db2.gz LCRXLNRGDXXNBJ-OCCSQVGLSA-N 0 3 329.396 3.064 20 10 EGCDHN COc1cccc(N2CC[C@H]([NH2+][C@@H](C)c3cc(OC)ccc3[O-])C2)c1 ZINC000273612613 456241418 /nfs/dbraw/zinc/24/14/18/456241418.db2.gz WQHGXBNROQEIGC-GJZGRUSLSA-N 0 3 342.439 3.339 20 10 EGCDHN Cc1cc(C(=O)N[C@H]2CCCN(C(C)C)C2)c(C)n1-c1ccccn1 ZINC000274420601 456257721 /nfs/dbraw/zinc/25/77/21/456257721.db2.gz DGCVIRIMKBXQJA-KRWDZBQOSA-N 0 3 340.471 3.092 20 10 EGCDHN COc1cc([O-])c(C[NH2+]CCc2ccc3[nH]ccc3c2)cc1OC ZINC000281673909 456289699 /nfs/dbraw/zinc/28/96/99/456289699.db2.gz DOVJPVKAWAXVLR-UHFFFAOYSA-N 0 3 326.396 3.223 20 10 EGCDHN Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(C)c(C)c3[O-])CC2)n[nH]1 ZINC000275845236 456331173 /nfs/dbraw/zinc/33/11/73/456331173.db2.gz HNIWDBCTZBFACX-HNNXBMFYSA-N 0 3 328.460 3.360 20 10 EGCDHN CCCOc1ccc(C[NH2+]C2CCN(c3nccs3)CC2)c([O-])c1 ZINC000282362066 456491075 /nfs/dbraw/zinc/49/10/75/456491075.db2.gz WGMPIEXQLNTINQ-UHFFFAOYSA-N 0 3 347.484 3.396 20 10 EGCDHN Cc1csc(=O)n1CCN(Cc1ccc(N(C)C)cc1)C(C)C ZINC000298702533 456521524 /nfs/dbraw/zinc/52/15/24/456521524.db2.gz HSMMYKMBAVDJSM-UHFFFAOYSA-N 0 3 333.501 3.195 20 10 EGCDHN COc1cccc(CN[C@@H](CN(C)C)c2ccc(Cl)cc2)c1O ZINC000282571850 456556894 /nfs/dbraw/zinc/55/68/94/456556894.db2.gz ARZHBMZZNQAGJO-INIZCTEOSA-N 0 3 334.847 3.447 20 10 EGCDHN C[C@H](Cn1cccn1)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000282614834 456569730 /nfs/dbraw/zinc/56/97/30/456569730.db2.gz NUBSXJLXPWGGSF-MRXNPFEDSA-N 0 3 337.423 3.346 20 10 EGCDHN CN(C)c1ccc(CN(C[C@@H]2CC3(CCC3)C(=O)O2)C2CC2)cc1 ZINC000276840507 456596260 /nfs/dbraw/zinc/59/62/60/456596260.db2.gz SPTSHHZSGMCLCA-SFHVURJKSA-N 0 3 328.456 3.203 20 10 EGCDHN C[C@@H](N[C@@H](C)C(=O)NCCF)c1ccc(N2CCCCCC2)cc1 ZINC000282946775 456671471 /nfs/dbraw/zinc/67/14/71/456671471.db2.gz ZBQPJFWDTHVUFP-CVEARBPZSA-N 0 3 335.467 3.192 20 10 EGCDHN CCN(C)c1ccc([C@@H](C)N[C@H]2CCCc3c2cnn3CCO)cc1 ZINC000363832461 457454151 /nfs/dbraw/zinc/45/41/51/457454151.db2.gz SDNNZWVESWQRHS-BEFAXECRSA-N 0 3 342.487 3.060 20 10 EGCDHN Oc1ccc(Cl)cc1CN1CCC[C@@H](NCc2cscn2)C1 ZINC000361536366 457777962 /nfs/dbraw/zinc/77/79/62/457777962.db2.gz STQYALLDBTYIID-CQSZACIVSA-N 0 3 337.876 3.256 20 10 EGCDHN Cc1cc(Br)cc(C[NH+]2CCC3(CCO3)CC2)c1[O-] ZINC000367094253 457927503 /nfs/dbraw/zinc/92/75/03/457927503.db2.gz XKCLLRXFEXEZFP-UHFFFAOYSA-N 0 3 326.234 3.218 20 10 EGCDHN Cc1cccc(CN2CCCN(C(=O)CC3CCCC3)CC2)c1O ZINC000367726595 457976658 /nfs/dbraw/zinc/97/66/58/457976658.db2.gz SPJLEWKLNUKLTK-UHFFFAOYSA-N 0 3 330.472 3.315 20 10 EGCDHN C[C@H](N[C@@H]1Cc2ccccc2NC1=O)c1cc2c(cc1O)CCCC2 ZINC000527999411 459791680 /nfs/dbraw/zinc/79/16/80/459791680.db2.gz KYRRIUASGMGPQV-ORAYPTAESA-N 0 3 336.435 3.485 20 10 EGCDHN C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cc([O-])cs2)CC1 ZINC000734864690 575565018 /nfs/dbraw/zinc/56/50/18/575565018.db2.gz GXUKXZZRASNPQM-CYBMUJFWSA-N 0 3 330.453 3.409 20 10 EGCDHN C[C@H](c1ccccc1)N1CCC(NC(=O)C2=CC(=O)CS2)CC1 ZINC000734864690 575565021 /nfs/dbraw/zinc/56/50/21/575565021.db2.gz GXUKXZZRASNPQM-CYBMUJFWSA-N 0 3 330.453 3.409 20 10 EGCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CN1[C@H](C)CC[C@H]1C ZINC000742246387 576762174 /nfs/dbraw/zinc/76/21/74/576762174.db2.gz ILBXABKVSDHGNV-IAGOWNOFSA-N 0 3 331.504 3.362 20 10 EGCDHN CC[C@]1(C)CCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000743860763 576817305 /nfs/dbraw/zinc/81/73/05/576817305.db2.gz TZZXPIXEBPLQLP-HXUWFJFHSA-N 0 3 331.504 3.223 20 10 EGCDHN CCN(C)C[C@H]1CC[N@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000829613867 600718061 /nfs/dbraw/zinc/71/80/61/600718061.db2.gz UXZXZOAPNOKPKP-CQSZACIVSA-N 0 3 342.439 3.017 20 10 EGCDHN CCN(C)C[C@H]1CC[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000829613867 600718063 /nfs/dbraw/zinc/71/80/63/600718063.db2.gz UXZXZOAPNOKPKP-CQSZACIVSA-N 0 3 342.439 3.017 20 10 EGCDHN CC[C@@H]([NH2+]C[C@@H](O)COc1cccc(C)c1)c1ccc(C)cc1[O-] ZINC000794803817 1309598477 /nfs/dbraw/zinc/59/84/77/1309598477.db2.gz SDVOSNYMBSZOPD-VQIMIIECSA-N 0 3 329.440 3.490 20 10 EGCDHN Cc1cc(CN(C)[C@H]2CCCCNC2=O)ccc1N1CCCCC1 ZINC000827680008 1292355984 /nfs/dbraw/zinc/35/59/84/1292355984.db2.gz OTSUAYVFGIBGLM-IBGZPJMESA-N 0 3 329.488 3.086 20 10 EGCDHN Cc1cc(CN2CCC(F)(F)[C@H](CO)C2)ccc1N1CCCCC1 ZINC000829973315 1292649569 /nfs/dbraw/zinc/64/95/69/1292649569.db2.gz CHZHAQHTVVAPHT-KRWDZBQOSA-N 0 3 338.442 3.435 20 10 EGCDHN COc1cc([C@H](C)[NH2+][C@@H]2CCc3cccc([O-])c32)ccc1OCCO ZINC000834530697 1293111878 /nfs/dbraw/zinc/11/18/78/1293111878.db2.gz JKNUZWBWIUGJHV-XJKSGUPXSA-N 0 3 343.423 3.110 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@H](c3ccnn3C)C2)c2c1c(F)ccc2[O-] ZINC000834900507 1293170335 /nfs/dbraw/zinc/17/03/35/1293170335.db2.gz UEVBKPMFXAYBJL-CXUUEIJPSA-N 0 3 345.418 3.323 20 10 EGCDHN CCN1CCC([N@H+](C)Cc2cc(Br)ccc2[O-])CC1 ZINC000131571797 1293695235 /nfs/dbraw/zinc/69/52/35/1293695235.db2.gz RXWHDTMEGMLPEE-UHFFFAOYSA-N 0 3 327.266 3.071 20 10 EGCDHN CCN1CCC([N@@H+](C)Cc2cc(Br)ccc2[O-])CC1 ZINC000131571797 1293695240 /nfs/dbraw/zinc/69/52/40/1293695240.db2.gz RXWHDTMEGMLPEE-UHFFFAOYSA-N 0 3 327.266 3.071 20 10 EGCDHN CC[C@@H]([NH2+]CCNC(=O)c1c(F)cccc1F)c1ccccc1[O-] ZINC000156550780 1294148143 /nfs/dbraw/zinc/14/81/43/1294148143.db2.gz ANPJONUGBYVFON-OAHLLOKOSA-N 0 3 334.366 3.141 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2cc(C)cc(C)c2)c1 ZINC000182326969 1295035763 /nfs/dbraw/zinc/03/57/63/1295035763.db2.gz UGGWPZPYUJOZCF-AWEZNQCLSA-N 0 3 328.412 3.307 20 10 EGCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N(C)C2CCC(C)CC2)c1 ZINC000182458472 1295048842 /nfs/dbraw/zinc/04/88/42/1295048842.db2.gz VTJAAHKLYXLAFL-SHARSMKWSA-N 0 3 334.460 3.089 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCC(=O)NCCC2CCCCC2)c1 ZINC000182450744 1295049243 /nfs/dbraw/zinc/04/92/43/1295049243.db2.gz IVXCWKHYAGTDHD-AWEZNQCLSA-N 0 3 334.460 3.138 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2N2CCOCC2)c([O-])c1 ZINC000185188461 1295246864 /nfs/dbraw/zinc/24/68/64/1295246864.db2.gz RWUKJDXWSFLWQH-MRXNPFEDSA-N 0 3 326.440 3.388 20 10 EGCDHN C[C@@H]([NH2+]C[C@@H](NC(=O)OC(C)(C)C)C1CC1)c1cc(F)ccc1[O-] ZINC000186201077 1295311912 /nfs/dbraw/zinc/31/19/12/1295311912.db2.gz BTEQMSLWLILCDR-IAQYHMDHSA-N 0 3 338.423 3.485 20 10 EGCDHN CC(C)(C)[C@@H](CO)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000194634842 1295995803 /nfs/dbraw/zinc/99/58/03/1295995803.db2.gz SQKYKSRCQRVACD-LJQANCHMSA-N 0 3 329.440 3.468 20 10 EGCDHN COc1cc2c(cc1CNCc1cccc(OC)c1O)O[C@H](C)C2 ZINC000237392169 1296239458 /nfs/dbraw/zinc/23/94/58/1296239458.db2.gz LLJOCHXNEZNGFR-GFCCVEGCSA-N 0 3 329.396 3.023 20 10 EGCDHN Cc1cc(CNCc2ccc(N3CCC(CO)CC3)cc2)c(C)o1 ZINC000305734538 1297038226 /nfs/dbraw/zinc/03/82/26/1297038226.db2.gz OXBADEOXLSBYPQ-UHFFFAOYSA-N 0 3 328.456 3.395 20 10 EGCDHN Cc1cc(Br)cc(CN2CCC[C@](C)(CO)C2)c1O ZINC000305764270 1297045668 /nfs/dbraw/zinc/04/56/68/1297045668.db2.gz GKQVTBOTZZCFRX-HNNXBMFYSA-N 0 3 328.250 3.058 20 10 EGCDHN CC[C@@H]1CN(Cc2cc(Br)cc(C)c2O)CCCO1 ZINC000311261274 1297106229 /nfs/dbraw/zinc/10/62/29/1297106229.db2.gz GLEQKIBXUFAFAM-CQSZACIVSA-N 0 3 328.250 3.464 20 10 EGCDHN COc1ccc(CNCc2cc(C)nc(C)c2)cc1Cn1cccn1 ZINC000873132447 1297288969 /nfs/dbraw/zinc/28/89/69/1297288969.db2.gz UISMFXJETQPDRV-UHFFFAOYSA-N 0 3 336.439 3.242 20 10 EGCDHN CC(C)(C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])N1CCOCC1 ZINC000725841358 1298371553 /nfs/dbraw/zinc/37/15/53/1298371553.db2.gz CQKNVELRZIOYNR-UHFFFAOYSA-N 0 3 340.467 3.260 20 10 EGCDHN Cc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000876641536 1298889906 /nfs/dbraw/zinc/88/99/06/1298889906.db2.gz LBICTZJXLJGMAO-HNNXBMFYSA-N 0 3 334.460 3.437 20 10 EGCDHN Cc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000876641536 1298889920 /nfs/dbraw/zinc/88/99/20/1298889920.db2.gz LBICTZJXLJGMAO-HNNXBMFYSA-N 0 3 334.460 3.437 20 10 EGCDHN Cc1cccc([O-])c1C[NH+]1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000876658898 1298904173 /nfs/dbraw/zinc/90/41/73/1298904173.db2.gz IWUFDYXPRVFAOL-UHFFFAOYSA-N 0 3 340.423 3.257 20 10 EGCDHN OC1CCN(c2ccc(CN3CCc4ccsc4C3)cc2)CC1 ZINC000876741908 1298951261 /nfs/dbraw/zinc/95/12/61/1298951261.db2.gz LSMZNEZEGPXWMG-UHFFFAOYSA-N 0 3 328.481 3.268 20 10 EGCDHN CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](n3ccnc3)C2)c1O ZINC000750044243 1299328570 /nfs/dbraw/zinc/32/85/70/1299328570.db2.gz TYVUVYWQEMEKDY-OAHLLOKOSA-N 0 3 333.819 3.282 20 10 EGCDHN CC(=O)c1cc(Cl)cc(CN2CCC[C@H](n3ccnc3)C2)c1O ZINC000750044241 1299329353 /nfs/dbraw/zinc/32/93/53/1299329353.db2.gz TYVUVYWQEMEKDY-HNNXBMFYSA-N 0 3 333.819 3.282 20 10 EGCDHN CC[C@@H]1CN(Cc2ccc(N3CCC(O)CC3)cc2)[C@@H](CC)CO1 ZINC000877611361 1299430280 /nfs/dbraw/zinc/43/02/80/1299430280.db2.gz PUZZAOZABVRJQD-FXAWDEMLSA-N 0 3 332.488 3.037 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]CCc1cnccn1 ZINC000753572743 1299977358 /nfs/dbraw/zinc/97/73/58/1299977358.db2.gz XQYUAHALGAGELH-UHFFFAOYSA-N 0 3 335.407 3.094 20 10 EGCDHN C/C(=C\c1ccccc1)C[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000754863076 1300232953 /nfs/dbraw/zinc/23/29/53/1300232953.db2.gz PTLQWLWFKOHSAL-XOVNIXPASA-N 0 3 325.408 3.353 20 10 EGCDHN C/C(=C\c1ccccc1)C[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000754863076 1300232957 /nfs/dbraw/zinc/23/29/57/1300232957.db2.gz PTLQWLWFKOHSAL-XOVNIXPASA-N 0 3 325.408 3.353 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+]Cc2cccnc2-n2cccn2)c2c1c(F)ccc2[O-] ZINC000756393310 1300483415 /nfs/dbraw/zinc/48/34/15/1300483415.db2.gz NDKVOLBUOJZJDN-DOMZBBRYSA-N 0 3 338.386 3.450 20 10 EGCDHN Cc1nccn1CCC[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000756431751 1300489733 /nfs/dbraw/zinc/48/97/33/1300489733.db2.gz DKYOYJPUZHYUPR-LLVKDONJSA-N 0 3 338.249 3.401 20 10 EGCDHN C[C@@H]([NH2+]Cc1cccc(N2CCOC2=O)c1)c1cc(F)ccc1[O-] ZINC000756447385 1300493362 /nfs/dbraw/zinc/49/33/62/1300493362.db2.gz VMDITYVMWFIPEE-GFCCVEGCSA-N 0 3 330.359 3.339 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)c2c1c(F)ccc2[O-] ZINC000756655528 1300542492 /nfs/dbraw/zinc/54/24/92/1300542492.db2.gz QNEQLOJWPIWBRD-XPKDYRNWSA-N 0 3 346.446 3.460 20 10 EGCDHN CC(C)CN1CCC[C@@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000756762015 1300561437 /nfs/dbraw/zinc/56/14/37/1300561437.db2.gz SGXWGFMLQWORCI-CABCVRRESA-N 0 3 335.448 3.319 20 10 EGCDHN CC(=O)N1CC[C@@H](NCc2ccc(N(C)C)c(F)c2)c2ccccc21 ZINC000757001960 1300609330 /nfs/dbraw/zinc/60/93/30/1300609330.db2.gz UYTIFEGVZDQEJO-GOSISDBHSA-N 0 3 341.430 3.479 20 10 EGCDHN CCN(Cc1cccc(F)c1)C(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879647925 1300647675 /nfs/dbraw/zinc/64/76/75/1300647675.db2.gz QYCTYIXEAHWFAT-CQSZACIVSA-N 0 3 330.403 3.231 20 10 EGCDHN COc1ccc(OCC[NH2+][C@H](C)c2ccccc2[O-])c([N+](=O)[O-])c1 ZINC000879648521 1300647844 /nfs/dbraw/zinc/64/78/44/1300647844.db2.gz RZSKRVVLOWFDQU-GFCCVEGCSA-N 0 3 332.356 3.039 20 10 EGCDHN Cc1ccc(S(=O)(=O)CCC[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000879649605 1300649026 /nfs/dbraw/zinc/64/90/26/1300649026.db2.gz XMURMCRXCMFSTE-OAHLLOKOSA-N 0 3 333.453 3.215 20 10 EGCDHN COC[C@](C)(CC(=O)OC)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000757919574 1300757484 /nfs/dbraw/zinc/75/74/84/1300757484.db2.gz LIISEGRLLDLROF-FQEVSTJZSA-N 0 3 343.423 3.117 20 10 EGCDHN CCC[N@@H+](Cc1c([O-])cccc1OC)C[C@H]1COc2ccccc2O1 ZINC000768180302 1302847998 /nfs/dbraw/zinc/84/79/98/1302847998.db2.gz LHXFJMAXJSWXAO-HNNXBMFYSA-N 0 3 343.423 3.453 20 10 EGCDHN CCC[N@H+](Cc1c([O-])cccc1OC)C[C@H]1COc2ccccc2O1 ZINC000768180302 1302848005 /nfs/dbraw/zinc/84/80/05/1302848005.db2.gz LHXFJMAXJSWXAO-HNNXBMFYSA-N 0 3 343.423 3.453 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+]CCc2cn3c(n2)SCC3)c2c1c(F)ccc2[O-] ZINC000768284195 1302872410 /nfs/dbraw/zinc/87/24/10/1302872410.db2.gz BDRMKJHIXUYOJC-ZWNOBZJWSA-N 0 3 333.432 3.214 20 10 EGCDHN C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768447901 1302906301 /nfs/dbraw/zinc/90/63/01/1302906301.db2.gz RKJWBHAYWHBBIG-BBEGDGIKSA-N 0 3 343.398 3.335 20 10 EGCDHN C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768447901 1302906310 /nfs/dbraw/zinc/90/63/10/1302906310.db2.gz RKJWBHAYWHBBIG-BBEGDGIKSA-N 0 3 343.398 3.335 20 10 EGCDHN CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OCC)cc2[O-])C1 ZINC000769210845 1303072460 /nfs/dbraw/zinc/07/24/60/1303072460.db2.gz UIUJRBPBNMEUSP-DOTOQJQBSA-N 0 3 348.487 3.308 20 10 EGCDHN CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(OCC)cc2[O-])C1 ZINC000769210845 1303072465 /nfs/dbraw/zinc/07/24/65/1303072465.db2.gz UIUJRBPBNMEUSP-DOTOQJQBSA-N 0 3 348.487 3.308 20 10 EGCDHN COc1cc(Br)cc(C[N@H+](C)CCCOC(C)C)c1[O-] ZINC000769455004 1303116593 /nfs/dbraw/zinc/11/65/93/1303116593.db2.gz DQKWDAVALGBJAP-UHFFFAOYSA-N 0 3 346.265 3.410 20 10 EGCDHN COc1cc(Br)cc(C[N@@H+](C)CCCOC(C)C)c1[O-] ZINC000769455004 1303116597 /nfs/dbraw/zinc/11/65/97/1303116597.db2.gz DQKWDAVALGBJAP-UHFFFAOYSA-N 0 3 346.265 3.410 20 10 EGCDHN CC[N@@H+]1C[C@@H](C)N(Cc2cc(Br)ccc2[O-])C[C@@H]1C ZINC000769465194 1303117667 /nfs/dbraw/zinc/11/76/67/1303117667.db2.gz DIJYBJVMLGODJX-NWDGAFQWSA-N 0 3 327.266 3.069 20 10 EGCDHN CC[N@H+]1C[C@@H](C)N(Cc2cc(Br)ccc2[O-])C[C@@H]1C ZINC000769465194 1303117672 /nfs/dbraw/zinc/11/76/72/1303117672.db2.gz DIJYBJVMLGODJX-NWDGAFQWSA-N 0 3 327.266 3.069 20 10 EGCDHN CC[N@@H+]1C[C@H](C)N(Cc2cc(Br)ccc2[O-])C[C@@H]1C ZINC000769465195 1303118217 /nfs/dbraw/zinc/11/82/17/1303118217.db2.gz DIJYBJVMLGODJX-RYUDHWBXSA-N 0 3 327.266 3.069 20 10 EGCDHN CC[N@H+]1C[C@H](C)N(Cc2cc(Br)ccc2[O-])C[C@@H]1C ZINC000769465195 1303118222 /nfs/dbraw/zinc/11/82/22/1303118222.db2.gz DIJYBJVMLGODJX-RYUDHWBXSA-N 0 3 327.266 3.069 20 10 EGCDHN C[C@@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC12CCC2 ZINC000771465901 1303410332 /nfs/dbraw/zinc/41/03/32/1303410332.db2.gz YJHHIVOWEAWFNN-QGZVFWFLSA-N 0 3 343.515 3.223 20 10 EGCDHN CCOCCCN1CC[C@H]([NH2+][C@H](C)c2c([O-])cccc2F)[C@@H](C)C1 ZINC000886528085 1303488129 /nfs/dbraw/zinc/48/81/29/1303488129.db2.gz GSLJGJCTBKMUOF-UXLLHSPISA-N 0 3 338.467 3.319 20 10 EGCDHN COc1ccccc1NC(=O)[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774481229 1303815094 /nfs/dbraw/zinc/81/50/94/1303815094.db2.gz AHEIEAPKDAPROC-LSDHHAIUSA-N 0 3 341.455 3.439 20 10 EGCDHN C[C@H](N[C@@H]1CCCN(CC(C)(C)C)C1=O)c1ccc(N(C)C)cc1 ZINC000774485943 1303816240 /nfs/dbraw/zinc/81/62/40/1303816240.db2.gz VFILSWPWXFXBON-MAUKXSAKSA-N 0 3 331.504 3.440 20 10 EGCDHN CC[C@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000774844163 1303866234 /nfs/dbraw/zinc/86/62/34/1303866234.db2.gz TXWIUQYCRPALBM-FQEVSTJZSA-N 0 3 339.483 3.452 20 10 EGCDHN CC(C)[N@@H+](Cc1cc(F)ccc1[O-])C[C@@H](O)COc1ccccc1 ZINC000775200630 1303923795 /nfs/dbraw/zinc/92/37/95/1303923795.db2.gz RFCFMKWITICTPD-QGZVFWFLSA-N 0 3 333.403 3.182 20 10 EGCDHN CC(C)[N@H+](Cc1cc(F)ccc1[O-])C[C@@H](O)COc1ccccc1 ZINC000775200630 1303923798 /nfs/dbraw/zinc/92/37/98/1303923798.db2.gz RFCFMKWITICTPD-QGZVFWFLSA-N 0 3 333.403 3.182 20 10 EGCDHN CC[C@H]([NH2+][C@@H](C)CCN1CCN(C)CC1)c1cc(Cl)ccc1[O-] ZINC000775553590 1303983525 /nfs/dbraw/zinc/98/35/25/1303983525.db2.gz DARJYQSVFCBCFI-YOEHRIQHSA-N 0 3 339.911 3.112 20 10 EGCDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)NCC1CCCCC1 ZINC000775831122 1304045327 /nfs/dbraw/zinc/04/53/27/1304045327.db2.gz PVQARQNKRXKPMC-HOTGVXAUSA-N 0 3 331.504 3.488 20 10 EGCDHN C[C@@H](NCC(=O)N([C@H](C)C1CC1)C1CC1)c1ccc(N(C)C)cc1 ZINC000775830654 1304045483 /nfs/dbraw/zinc/04/54/83/1304045483.db2.gz MFTYHGSVADRSTD-HUUCEWRRSA-N 0 3 329.488 3.193 20 10 EGCDHN C[C@H](NCC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000775838380 1304047622 /nfs/dbraw/zinc/04/76/22/1304047622.db2.gz XYGQVIHZMFPLLQ-IUVQAAGXSA-N 0 3 331.504 3.344 20 10 EGCDHN C[C@H](NCC(=O)Nc1cc(F)ccc1F)c1ccc(N(C)C)cc1 ZINC000775835424 1304048192 /nfs/dbraw/zinc/04/81/92/1304048192.db2.gz YOTDMEGCUQSELG-LBPRGKRZSA-N 0 3 333.382 3.320 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@](C)(O)C2CC2)c1[O-] ZINC000779023290 1304519615 /nfs/dbraw/zinc/51/96/15/1304519615.db2.gz BNVQPIMHIMXZAA-ZUZCIYMTSA-N 0 3 328.250 3.275 20 10 EGCDHN CC[C@]1(O)CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000779217118 1304543344 /nfs/dbraw/zinc/54/33/44/1304543344.db2.gz PPSNTZNTICXPGR-FQEVSTJZSA-N 0 3 327.424 3.318 20 10 EGCDHN CC[C@]1(O)CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000779217118 1304543350 /nfs/dbraw/zinc/54/33/50/1304543350.db2.gz PPSNTZNTICXPGR-FQEVSTJZSA-N 0 3 327.424 3.318 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+][C@H](C)[C@@H]2CCCOC2)c1[O-] ZINC000780780500 1304737896 /nfs/dbraw/zinc/73/78/96/1304737896.db2.gz XEVVUTGTEDXXCQ-VXGBXAGGSA-N 0 3 328.250 3.368 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+][C@H](C)[C@H]2CCCOC2)c1[O-] ZINC000780780495 1304737909 /nfs/dbraw/zinc/73/79/09/1304737909.db2.gz XEVVUTGTEDXXCQ-NEPJUHHUSA-N 0 3 328.250 3.368 20 10 EGCDHN C[C@@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)c1ccccc1[O-] ZINC000783492903 1305099220 /nfs/dbraw/zinc/09/92/20/1305099220.db2.gz ATRBHVABCLYGFI-MRXNPFEDSA-N 0 3 326.440 3.075 20 10 EGCDHN Cc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])c(N2CCOCC2)c1 ZINC000783521474 1305102199 /nfs/dbraw/zinc/10/21/99/1305102199.db2.gz YSQFQCVYCBSNFU-MRXNPFEDSA-N 0 3 326.440 3.388 20 10 EGCDHN CC(C)OCC[C@@H](O)CN(Cc1ccco1)Cc1ccccc1O ZINC000788275600 1305913660 /nfs/dbraw/zinc/91/36/60/1305913660.db2.gz OAWFOMQQICTUCB-QGZVFWFLSA-N 0 3 333.428 3.163 20 10 EGCDHN CCSc1cc(CNCc2ccc(OC)c(OC)c2O)ccn1 ZINC000893715588 1306046301 /nfs/dbraw/zinc/04/63/01/1306046301.db2.gz GOQGGEYJONOYLP-UHFFFAOYSA-N 0 3 334.441 3.206 20 10 EGCDHN CC(C)N1CCC[C@@H](N(Cc2ccc(N(C)C)cc2)C2CC2)C1=O ZINC000790265915 1306285319 /nfs/dbraw/zinc/28/53/19/1306285319.db2.gz KLHRFBJEUKRSBL-LJQANCHMSA-N 0 3 329.488 3.116 20 10 EGCDHN C[C@H](O)[C@@H]1CCCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000793060378 1309289655 /nfs/dbraw/zinc/28/96/55/1309289655.db2.gz AXHKFPHLFSUOFJ-QWHCGFSZSA-N 0 3 330.394 3.364 20 10 EGCDHN C[C@]1([NH2+]Cc2ccccc2[O-])CCN(C(=O)OCc2ccccc2)C1 ZINC000793343087 1309350402 /nfs/dbraw/zinc/35/04/02/1309350402.db2.gz ILISGUCEUSTKCS-FQEVSTJZSA-N 0 3 340.423 3.283 20 10 EGCDHN CCOc1cccc(CN2CCN(C)[C@@H](Cc3ccccc3)C2)c1O ZINC000793620513 1309419629 /nfs/dbraw/zinc/41/96/29/1309419629.db2.gz PUXQDEKTFUPMNA-IBGZPJMESA-N 0 3 340.467 3.150 20 10 EGCDHN CC[C@@H]([NH2+]Cc1ccc2c(c1)CCS2(=O)=O)c1ccc(C)cc1[O-] ZINC000794820263 1309601282 /nfs/dbraw/zinc/60/12/82/1309601282.db2.gz ZUTBHWCEYJPJNJ-QGZVFWFLSA-N 0 3 345.464 3.271 20 10 EGCDHN COC(=O)c1ccc(Cl)c(CNCc2ccc(OC)cc2O)c1 ZINC000795994070 1309878629 /nfs/dbraw/zinc/87/86/29/1309878629.db2.gz LXWNEJNKHQQTPF-UHFFFAOYSA-N 0 3 335.787 3.131 20 10 EGCDHN CCCC[N@H+](Cc1cc(=O)n2ccccc2n1)Cc1ccccc1[O-] ZINC000801596386 1310971082 /nfs/dbraw/zinc/97/10/82/1310971082.db2.gz XSSRBABNHIUXSD-UHFFFAOYSA-N 0 3 337.423 3.202 20 10 EGCDHN CCCC[N@@H+](Cc1cc(=O)n2ccccc2n1)Cc1ccccc1[O-] ZINC000801596386 1310971086 /nfs/dbraw/zinc/97/10/86/1310971086.db2.gz XSSRBABNHIUXSD-UHFFFAOYSA-N 0 3 337.423 3.202 20 10 EGCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)cc1Cl ZINC000826538526 1320387170 /nfs/dbraw/zinc/38/71/70/1320387170.db2.gz FGIKMDNERCSWBY-MRXNPFEDSA-N 0 3 338.879 3.041 20 10 EGCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](N3CCOCC3)CC2)cc1Cl ZINC000826538526 1320387174 /nfs/dbraw/zinc/38/71/74/1320387174.db2.gz FGIKMDNERCSWBY-MRXNPFEDSA-N 0 3 338.879 3.041 20 10 EGCDHN COc1cc(CN2CCC[C@@H]2C2OCCO2)c(O)c(C(C)(C)C)c1 ZINC000902622656 1317600622 /nfs/dbraw/zinc/60/06/22/1317600622.db2.gz PEPYQEUDFBGCRC-MRXNPFEDSA-N 0 3 335.444 3.036 20 10 EGCDHN C[C@@H]([NH2+]CCCONC(=O)OC(C)(C)C)c1cc(F)ccc1[O-] ZINC000903239837 1317679516 /nfs/dbraw/zinc/67/95/16/1317679516.db2.gz PTYXQLJFOSKMRM-LLVKDONJSA-N 0 3 328.384 3.028 20 10 EGCDHN CN(C)c1ccc([C@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)N(C)C)cc1 ZINC000903447840 1317700925 /nfs/dbraw/zinc/70/09/25/1317700925.db2.gz CZBYYUAHHLANNS-MOPGFXCFSA-N 0 3 339.483 3.338 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CN(CC(C)C)CCO2)c1[O-] ZINC000808672389 1317711858 /nfs/dbraw/zinc/71/18/58/1317711858.db2.gz MACUOZHEHOFIDO-GOEBONIOSA-N 0 3 340.895 3.361 20 10 EGCDHN COC(=O)C(C)(C)CC[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000809692430 1317864433 /nfs/dbraw/zinc/86/44/33/1317864433.db2.gz WWYCBTKZUCFDKX-UHFFFAOYSA-N 0 3 344.249 3.142 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]Cc2ccc([S@@](C)=O)cc2)c1[O-] ZINC000809793287 1317902944 /nfs/dbraw/zinc/90/29/44/1317902944.db2.gz BPBKFIALZVZZJT-JOCHJYFZSA-N 0 3 339.844 3.081 20 10 EGCDHN CC[C@@H](CN[C@H](C)c1ccc(N2CCOCC2)cc1Cl)OC ZINC000810260389 1317989059 /nfs/dbraw/zinc/98/90/59/1317989059.db2.gz KEZYTPWTIBYVBF-HIFRSBDPSA-N 0 3 326.868 3.252 20 10 EGCDHN C[C@@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2F)C1)c1cc(F)ccc1[O-] ZINC000812741107 1318447811 /nfs/dbraw/zinc/44/78/11/1318447811.db2.gz QWGHWHDWEVFTFX-DGCLKSJQSA-N 0 3 332.350 3.127 20 10 EGCDHN COC(=O)c1cc(CN[C@@H](C)c2ccc(N(C)C)cc2)n(C)c1C ZINC000812756981 1318449168 /nfs/dbraw/zinc/44/91/68/1318449168.db2.gz IJEVBNMAFGNTJU-ZDUSSCGKSA-N 0 3 329.444 3.037 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]Cc2ccc[nH]c2=O)c1[O-] ZINC000858563396 1328796460 /nfs/dbraw/zinc/79/64/60/1328796460.db2.gz PVXYLNUQTBJDDW-JTQLQIEISA-N 0 3 337.217 3.415 20 10 EGCDHN CO[C@@H](CN[C@H](C)c1ccc(N2CCOCC2)cc1Cl)C1CC1 ZINC000815651338 1319037755 /nfs/dbraw/zinc/03/77/55/1319037755.db2.gz QGZRSVBGHXNVSL-ACJLOTCBSA-N 0 3 338.879 3.252 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]CC[C@@H](O)COCc2ccccc2)c([O-])c1 ZINC000858594268 1328804879 /nfs/dbraw/zinc/80/48/79/1328804879.db2.gz BGRAPNQRIDLZLQ-FUHWJXTLSA-N 0 3 329.440 3.319 20 10 EGCDHN CCCN1C[C@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1=O ZINC000817410814 1319351583 /nfs/dbraw/zinc/35/15/83/1319351583.db2.gz HPOYTRXYSWCEGZ-INIZCTEOSA-N 0 3 338.451 3.407 20 10 EGCDHN C[N@H+](Cc1ccc(OCc2ccccc2)cc1[O-])CC(C)(C)CO ZINC000824634839 1320272622 /nfs/dbraw/zinc/27/26/22/1320272622.db2.gz CDBYUZDONSDTQX-UHFFFAOYSA-N 0 3 329.440 3.422 20 10 EGCDHN C[N@@H+](Cc1ccc(OCc2ccccc2)cc1[O-])CC(C)(C)CO ZINC000824634839 1320272626 /nfs/dbraw/zinc/27/26/26/1320272626.db2.gz CDBYUZDONSDTQX-UHFFFAOYSA-N 0 3 329.440 3.422 20 10 EGCDHN CN(Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)CC(C)(C)CO ZINC000824630960 1320272769 /nfs/dbraw/zinc/27/27/69/1320272769.db2.gz RMXKJFANWHLQND-UHFFFAOYSA-N 0 3 335.448 3.035 20 10 EGCDHN CCOc1ccc(C[NH2+][C@H]2CCO[C@H](c3ccncc3)C2)c([O-])c1 ZINC000824947834 1320299094 /nfs/dbraw/zinc/29/90/94/1320299094.db2.gz MEKGUNNFEBUYAK-LPHOPBHVSA-N 0 3 328.412 3.196 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@]3(CCOC3)C2)c1[O-] ZINC000825133294 1320313997 /nfs/dbraw/zinc/31/39/97/1320313997.db2.gz CFJZKVDFFRUPHE-INIZCTEOSA-N 0 3 340.261 3.466 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@]3(CCOC3)C2)c1[O-] ZINC000825133294 1320313991 /nfs/dbraw/zinc/31/39/91/1320313991.db2.gz CFJZKVDFFRUPHE-INIZCTEOSA-N 0 3 340.261 3.466 20 10 EGCDHN CC(C)C[C@@H](CO)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000827113805 1320427972 /nfs/dbraw/zinc/42/79/72/1320427972.db2.gz JPRWAMQEJYCAPF-SFHVURJKSA-N 0 3 329.440 3.468 20 10 EGCDHN CC[C@@H]([NH2+]Cc1cc(Br)cc(C)c1[O-])[C@@H](O)C(C)C ZINC000840966199 1321188981 /nfs/dbraw/zinc/18/89/81/1321188981.db2.gz DJPXIMRCWRTGCN-KGLIPLIRSA-N 0 3 330.266 3.348 20 10 EGCDHN CC[C@@](C[NH2+]Cc1c([O-])cccc1OC)(C(=O)OC)c1ccccc1 ZINC000840977293 1321192641 /nfs/dbraw/zinc/19/26/41/1321192641.db2.gz HBWBRDZGCXCWHK-FQEVSTJZSA-N 0 3 343.423 3.011 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@H](CO)[C@@H]2C)c1[O-] ZINC000840978984 1321193055 /nfs/dbraw/zinc/19/30/55/1321193055.db2.gz QTCCCVLOASRXIO-NWDGAFQWSA-N 0 3 328.250 3.056 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@H](CO)[C@@H]2C)c1[O-] ZINC000840978984 1321193059 /nfs/dbraw/zinc/19/30/59/1321193059.db2.gz QTCCCVLOASRXIO-NWDGAFQWSA-N 0 3 328.250 3.056 20 10 EGCDHN C[C@@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1ccc(Cl)cc1[O-] ZINC000841751272 1321306664 /nfs/dbraw/zinc/30/66/64/1321306664.db2.gz HAFZDWKJOHJUID-ZIAGYGMSSA-N 0 3 326.868 3.197 20 10 EGCDHN CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000842753060 1321427396 /nfs/dbraw/zinc/42/73/96/1321427396.db2.gz BSYBMTMHIHKFTF-MFKMUULPSA-N 0 3 346.265 3.050 20 10 EGCDHN CC[C@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])C(=O)NCc1cccs1 ZINC000842911056 1321448340 /nfs/dbraw/zinc/44/83/40/1321448340.db2.gz WNMVAIPSNLEBEE-ABAIWWIYSA-N 0 3 336.432 3.338 20 10 EGCDHN COCCOc1ccccc1CN[C@@H](C)c1cccc(OC)c1O ZINC000846141829 1321770617 /nfs/dbraw/zinc/77/06/17/1321770617.db2.gz ADGHAGQTTBYBGS-AWEZNQCLSA-N 0 3 331.412 3.277 20 10 EGCDHN CCc1cccc(CN[C@H](CN2CCCC2=O)c2ccccc2)c1O ZINC000848895525 1322034895 /nfs/dbraw/zinc/03/48/95/1322034895.db2.gz WBEIYVLMGROGFG-LJQANCHMSA-N 0 3 338.451 3.408 20 10 EGCDHN CN(C)c1ccccc1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000850406203 1322241016 /nfs/dbraw/zinc/24/10/16/1322241016.db2.gz XIBFSUYVGXHKQD-UHFFFAOYSA-N 0 3 339.483 3.004 20 10 EGCDHN [O-]c1ccc(Cl)c(F)c1CNC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000853092582 1323278960 /nfs/dbraw/zinc/27/89/60/1323278960.db2.gz BWFDVFMKOTYKOI-CYBMUJFWSA-N 0 3 326.843 3.396 20 10 EGCDHN [O-]c1ccc(Cl)c(F)c1CNC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853092582 1323278970 /nfs/dbraw/zinc/27/89/70/1323278970.db2.gz BWFDVFMKOTYKOI-CYBMUJFWSA-N 0 3 326.843 3.396 20 10 EGCDHN C[C@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000853241022 1325070620 /nfs/dbraw/zinc/07/06/20/1325070620.db2.gz RUAPBALNDVGKPP-DZGCQCFKSA-N 0 3 333.432 3.073 20 10 EGCDHN C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1c([O-])cccc1Br ZINC000862365295 1329478671 /nfs/dbraw/zinc/47/86/71/1329478671.db2.gz ONDVBZIHRQARQU-STQMWFEESA-N 0 3 339.277 3.213 20 10 EGCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000862484736 1329490771 /nfs/dbraw/zinc/49/07/71/1329490771.db2.gz AIANTXKYTXQHFL-KGLIPLIRSA-N 0 3 335.444 3.201 20 10 EGCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000862484736 1329490773 /nfs/dbraw/zinc/49/07/73/1329490773.db2.gz AIANTXKYTXQHFL-KGLIPLIRSA-N 0 3 335.444 3.201 20 10 EGCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](CO)CC2)cc1Br ZINC001237675682 1376982591 /nfs/dbraw/zinc/98/25/91/1376982591.db2.gz ACCVHRQLYRMIQB-GFCCVEGCSA-N 0 3 328.250 3.058 20 10 EGCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](CO)CC2)cc1Br ZINC001237675682 1376982596 /nfs/dbraw/zinc/98/25/96/1376982596.db2.gz ACCVHRQLYRMIQB-GFCCVEGCSA-N 0 3 328.250 3.058 20 10 EGCDHN C[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)c(F)c2)CCC1(F)F ZINC001324207668 1387557339 /nfs/dbraw/zinc/55/73/39/1387557339.db2.gz ICFGOALFEDKZRR-CQSZACIVSA-N 0 3 341.421 3.055 20 10 EGCDHN O=C(NCC1CCCCC1)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001186894085 1388022785 /nfs/dbraw/zinc/02/27/85/1388022785.db2.gz JQLLRIZJQVUMSE-UHFFFAOYSA-N 0 3 345.487 3.236 20 10 EGCDHN CCN(Cc1ccccc1O)Cc1cc(OC)c(OC)cc1OC ZINC001203498107 1370145421 /nfs/dbraw/zinc/14/54/21/1370145421.db2.gz FIMQWBADWQKKGR-UHFFFAOYSA-N 0 3 331.412 3.440 20 10 EGCDHN O=C1N(c2ccsc2)CC[C@]12CCC[N@@H+](Cc1ccccc1[O-])C2 ZINC001203552960 1370167541 /nfs/dbraw/zinc/16/75/41/1370167541.db2.gz WZZOKDAMDDPHCU-IBGZPJMESA-N 0 3 342.464 3.473 20 10 EGCDHN O=C1N(c2ccsc2)CC[C@]12CCC[N@H+](Cc1ccccc1[O-])C2 ZINC001203552960 1370167542 /nfs/dbraw/zinc/16/75/42/1370167542.db2.gz WZZOKDAMDDPHCU-IBGZPJMESA-N 0 3 342.464 3.473 20 10 EGCDHN CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001203561347 1370169925 /nfs/dbraw/zinc/16/99/25/1370169925.db2.gz RGLNTCYVESRCMP-OAHLLOKOSA-N 0 3 334.460 3.471 20 10 EGCDHN CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001203561347 1370169929 /nfs/dbraw/zinc/16/99/29/1370169929.db2.gz RGLNTCYVESRCMP-OAHLLOKOSA-N 0 3 334.460 3.471 20 10 EGCDHN COc1cccc(C[N@@H+](C)C[C@H]2Cc3cc(OC)c(OC)cc32)c1[O-] ZINC001203599189 1370183032 /nfs/dbraw/zinc/18/30/32/1370183032.db2.gz BYKTXBWIUCPDPA-OAHLLOKOSA-N 0 3 343.423 3.190 20 10 EGCDHN COc1cccc(C[N@H+](C)C[C@H]2Cc3cc(OC)c(OC)cc32)c1[O-] ZINC001203599189 1370183033 /nfs/dbraw/zinc/18/30/33/1370183033.db2.gz BYKTXBWIUCPDPA-OAHLLOKOSA-N 0 3 343.423 3.190 20 10 EGCDHN CCOc1cccc(CN2CCC(O)(c3ccccc3F)CC2)c1O ZINC001203608962 1370186804 /nfs/dbraw/zinc/18/68/04/1370186804.db2.gz CNWDYKUFENLZDA-UHFFFAOYSA-N 0 3 345.414 3.414 20 10 EGCDHN COc1ccc(CN(Cc2ccccc2)CC(OC)OC)c(O)c1 ZINC001203620404 1370189993 /nfs/dbraw/zinc/18/99/93/1370189993.db2.gz DVBJDQUZDPWIKJ-UHFFFAOYSA-N 0 3 331.412 3.022 20 10 EGCDHN [O-]c1ccc(Cl)cc1C[NH+]1C[C@@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001203655896 1370203973 /nfs/dbraw/zinc/20/39/73/1370203973.db2.gz DPPJDYVKBYOCIM-HZPDHXFCSA-N 0 3 343.858 3.004 20 10 EGCDHN CN(C)c1ccc(CN2CC[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)cc1 ZINC001203930603 1370319514 /nfs/dbraw/zinc/31/95/14/1370319514.db2.gz AQBDLIUYFVUOAT-WMZOPIPTSA-N 0 3 345.487 3.194 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC[C@H](Oc3ncccn3)C2)cc1 ZINC001203943551 1370324424 /nfs/dbraw/zinc/32/44/24/1370324424.db2.gz FJRPZNFNVNCSRD-IBGZPJMESA-N 0 3 340.471 3.366 20 10 EGCDHN COC(=O)c1ccc([C@H]2CCC[N@@H+]2Cc2ccc(O)cc2[O-])cc1 ZINC001204280716 1370431521 /nfs/dbraw/zinc/43/15/21/1370431521.db2.gz CKAZMYDXRJNWPQ-QGZVFWFLSA-N 0 3 327.380 3.222 20 10 EGCDHN COC(=O)c1ccc([C@H]2CCC[N@H+]2Cc2ccc(O)cc2[O-])cc1 ZINC001204280716 1370431528 /nfs/dbraw/zinc/43/15/28/1370431528.db2.gz CKAZMYDXRJNWPQ-QGZVFWFLSA-N 0 3 327.380 3.222 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+](Cc2ccccc2)[C@H](C)CO)c1[O-] ZINC001116603253 1370943962 /nfs/dbraw/zinc/94/39/62/1370943962.db2.gz JFGNIMSJNJGLMR-CYBMUJFWSA-N 0 3 335.831 3.437 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+](Cc2ccccc2)[C@H](C)CO)c1[O-] ZINC001116603253 1370943963 /nfs/dbraw/zinc/94/39/63/1370943963.db2.gz JFGNIMSJNJGLMR-CYBMUJFWSA-N 0 3 335.831 3.437 20 10 EGCDHN N[C@H]1CN(Cc2cc(-c3ccc(F)cc3)ccc2O)CCC1(F)F ZINC001206702648 1371139552 /nfs/dbraw/zinc/13/95/52/1371139552.db2.gz CPWYSONIEFDXGV-KRWDZBQOSA-N 0 3 336.357 3.367 20 10 EGCDHN C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1c([O-])ccc2cc(Br)ccc21 ZINC001233193908 1376584145 /nfs/dbraw/zinc/58/41/45/1376584145.db2.gz HGVZKMFAACCKAE-ZWNOBZJWSA-N 0 3 336.229 3.263 20 10 EGCDHN C[C@@H]1C[C@@H](O)C[N@H+]1Cc1c([O-])ccc2cc(Br)ccc21 ZINC001233193908 1376584150 /nfs/dbraw/zinc/58/41/50/1376584150.db2.gz HGVZKMFAACCKAE-ZWNOBZJWSA-N 0 3 336.229 3.263 20 10 EGCDHN CC(C)(C)c1ccc(O)c(CN2CCC[C@@H](NC(=O)C3CC3)C2)c1 ZINC001233286826 1376605280 /nfs/dbraw/zinc/60/52/80/1376605280.db2.gz KDBNVOGORWHENX-QGZVFWFLSA-N 0 3 330.472 3.180 20 10 EGCDHN O=C1CCC[C@@H]2C[N@@H+](Cc3cccc(OC(F)(F)F)c3[O-])C[C@H]12 ZINC001233776139 1376713588 /nfs/dbraw/zinc/71/35/88/1376713588.db2.gz KTBMESHLAPSUGS-PWSUYJOCSA-N 0 3 329.318 3.092 20 10 EGCDHN O=C1CCC[C@@H]2C[N@H+](Cc3cccc(OC(F)(F)F)c3[O-])C[C@H]12 ZINC001233776139 1376713592 /nfs/dbraw/zinc/71/35/92/1376713592.db2.gz KTBMESHLAPSUGS-PWSUYJOCSA-N 0 3 329.318 3.092 20 10 EGCDHN O=C1CCC[C@@H]2C[N@@H+](Cc3cccc(OC(F)(F)F)c3[O-])C[C@@H]12 ZINC001233776140 1376713690 /nfs/dbraw/zinc/71/36/90/1376713690.db2.gz KTBMESHLAPSUGS-ZYHUDNBSSA-N 0 3 329.318 3.092 20 10 EGCDHN O=C1CCC[C@@H]2C[N@H+](Cc3cccc(OC(F)(F)F)c3[O-])C[C@@H]12 ZINC001233776140 1376713696 /nfs/dbraw/zinc/71/36/96/1376713696.db2.gz KTBMESHLAPSUGS-ZYHUDNBSSA-N 0 3 329.318 3.092 20 10 EGCDHN [O-]c1cccc(Br)c1CN1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235046586 1376842826 /nfs/dbraw/zinc/84/28/26/1376842826.db2.gz RNSHXHXIVHOUCF-MRXNPFEDSA-N 0 3 339.277 3.263 20 10 EGCDHN CC(C)c1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c([O-])c1 ZINC001237053590 1376972485 /nfs/dbraw/zinc/97/24/85/1376972485.db2.gz NXDCWJLNBJKCHD-GOSISDBHSA-N 0 3 330.472 3.350 20 10 EGCDHN CC(C)c1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c([O-])c1 ZINC001237053590 1376972502 /nfs/dbraw/zinc/97/25/02/1376972502.db2.gz NXDCWJLNBJKCHD-GOSISDBHSA-N 0 3 330.472 3.350 20 10 EGCDHN COC(=O)Cc1ccc(C[N@H+](C)C/C=C/c2ccccc2)c([O-])c1 ZINC001249207781 1377072825 /nfs/dbraw/zinc/07/28/25/1377072825.db2.gz JCVANYCYLJNRLO-RMKNXTFCSA-N 0 3 325.408 3.253 20 10 EGCDHN COC(=O)Cc1ccc(C[N@@H+](C)C/C=C/c2ccccc2)c([O-])c1 ZINC001249207781 1377072828 /nfs/dbraw/zinc/07/28/28/1377072828.db2.gz JCVANYCYLJNRLO-RMKNXTFCSA-N 0 3 325.408 3.253 20 10 EGCDHN FC[C@]1(C(F)(F)F)CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138496099 1377733723 /nfs/dbraw/zinc/73/37/23/1377733723.db2.gz PRIVFDDFJNACHX-MRXNPFEDSA-N 0 3 346.368 3.247 20 10 EGCDHN Cc1cc(CN2CC[C@](O)(C(F)(F)F)[C@H](C)C2)ccc1N(C)C ZINC001139669781 1377930713 /nfs/dbraw/zinc/93/07/13/1377930713.db2.gz NGZZBPTWSVQSHS-CZUORRHYSA-N 0 3 330.394 3.196 20 10 EGCDHN CCc1noc(C2CCN(Cc3ccc(N(C)C)c(C)c3)CC2)n1 ZINC001139673561 1377931671 /nfs/dbraw/zinc/93/16/71/1377931671.db2.gz SNCMWZXPTVBUSJ-UHFFFAOYSA-N 0 3 328.460 3.386 20 10 EGCDHN Cc1cc(CN2CC(CCNC(=O)OC(C)(C)C)C2)ccc1N(C)C ZINC001139673762 1377931742 /nfs/dbraw/zinc/93/17/42/1377931742.db2.gz YIIFYYZWMYBUBG-UHFFFAOYSA-N 0 3 347.503 3.408 20 10 EGCDHN [O-]c1c(F)ccc(F)c1C[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001139683346 1377933787 /nfs/dbraw/zinc/93/37/87/1377933787.db2.gz LTEBWSLNCMZDMB-IYBDPMFKSA-N 0 3 344.405 3.234 20 10 EGCDHN [O-]c1c(F)ccc(F)c1C[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001139683346 1377933788 /nfs/dbraw/zinc/93/37/88/1377933788.db2.gz LTEBWSLNCMZDMB-IYBDPMFKSA-N 0 3 344.405 3.234 20 10 EGCDHN NC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC001140058949 1377997888 /nfs/dbraw/zinc/99/78/88/1377997888.db2.gz QGWIZGQJLRMZHB-PKOBYXMFSA-N 0 3 342.414 3.155 20 10 EGCDHN NC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC001140058949 1377997891 /nfs/dbraw/zinc/99/78/91/1377997891.db2.gz QGWIZGQJLRMZHB-PKOBYXMFSA-N 0 3 342.414 3.155 20 10 EGCDHN COc1ccccc1[C@@H](O)C[N@H+](Cc1cc(F)ccc1[O-])C(C)C ZINC001140058920 1377998175 /nfs/dbraw/zinc/99/81/75/1377998175.db2.gz OSPABMIVSZBVRB-SFHVURJKSA-N 0 3 333.403 3.484 20 10 EGCDHN COc1ccccc1[C@@H](O)C[N@@H+](Cc1cc(F)ccc1[O-])C(C)C ZINC001140058920 1377998177 /nfs/dbraw/zinc/99/81/77/1377998177.db2.gz OSPABMIVSZBVRB-SFHVURJKSA-N 0 3 333.403 3.484 20 10 EGCDHN Oc1ccc(F)cc1CN1CCC(Oc2ccc(Cl)nn2)CC1 ZINC001140058759 1377998323 /nfs/dbraw/zinc/99/83/23/1377998323.db2.gz LEEPQRIUMDHUJG-UHFFFAOYSA-N 0 3 337.782 3.018 20 10 EGCDHN C[N@@H+](Cc1cc(F)ccc1[O-])C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001140060102 1377998559 /nfs/dbraw/zinc/99/85/59/1377998559.db2.gz KOBWKTIERPOIFB-HNNXBMFYSA-N 0 3 338.423 3.363 20 10 EGCDHN C[N@H+](Cc1cc(F)ccc1[O-])C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001140060102 1377998560 /nfs/dbraw/zinc/99/85/60/1377998560.db2.gz KOBWKTIERPOIFB-HNNXBMFYSA-N 0 3 338.423 3.363 20 10 EGCDHN C[N@H+](C1CC1)C1CCN(Cc2c([O-])cccc2Br)CC1 ZINC001140103962 1378008773 /nfs/dbraw/zinc/00/87/73/1378008773.db2.gz VUOVARABVGNRMZ-UHFFFAOYSA-N 0 3 339.277 3.213 20 10 EGCDHN C[N@@H+](C1CC1)C1CCN(Cc2c([O-])cccc2Br)CC1 ZINC001140103962 1378008774 /nfs/dbraw/zinc/00/87/74/1378008774.db2.gz VUOVARABVGNRMZ-UHFFFAOYSA-N 0 3 339.277 3.213 20 10 EGCDHN CC[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)Cc1ccccc1[O-] ZINC001140287017 1378041005 /nfs/dbraw/zinc/04/10/05/1378041005.db2.gz CPLPUWDUQVIPEX-UHFFFAOYSA-N 0 3 340.467 3.375 20 10 EGCDHN CC[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)Cc1ccccc1[O-] ZINC001140287017 1378041008 /nfs/dbraw/zinc/04/10/08/1378041008.db2.gz CPLPUWDUQVIPEX-UHFFFAOYSA-N 0 3 340.467 3.375 20 10 EGCDHN CCN1CCN(c2ccc(CN3CC(F)(F)C[C@H]3CF)cc2)CC1 ZINC001140302379 1378042857 /nfs/dbraw/zinc/04/28/57/1378042857.db2.gz QBNKSEVXPQXZSO-KRWDZBQOSA-N 0 3 341.421 3.008 20 10 EGCDHN CCN1CCN(c2ccc(CN3CCC(F)(F)[C@@H](F)C3)cc2)CC1 ZINC001140302571 1378043045 /nfs/dbraw/zinc/04/30/45/1378043045.db2.gz VBILOSYIQLXVCQ-KRWDZBQOSA-N 0 3 341.421 3.008 20 10 EGCDHN CC[N@H+]([C@@H]1CCOC1)C1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001140467257 1378069173 /nfs/dbraw/zinc/06/91/73/1378069173.db2.gz SGUVVPWHDTWTQX-QGZVFWFLSA-N 0 3 338.879 3.121 20 10 EGCDHN CC[N@@H+]([C@@H]1CCOC1)C1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001140467257 1378069174 /nfs/dbraw/zinc/06/91/74/1378069174.db2.gz SGUVVPWHDTWTQX-QGZVFWFLSA-N 0 3 338.879 3.121 20 10 EGCDHN Cc1ccc(O)c(CN2CCCn3cnc(COCC4CC4)c3C2)c1 ZINC001140620178 1378099805 /nfs/dbraw/zinc/09/98/05/1378099805.db2.gz FMFGUQLYFYLJIQ-UHFFFAOYSA-N 0 3 341.455 3.230 20 10 EGCDHN CCN1CCC2(CCN(Cc3ccc(N(C)C)cc3Cl)CC2)C1=O ZINC001140926212 1378183130 /nfs/dbraw/zinc/18/31/30/1378183130.db2.gz IIJQAHMNYVBZSZ-UHFFFAOYSA-N 0 3 349.906 3.240 20 10 EGCDHN Cc1ccc(C[N@@H+]2CCc3ncnc(-c4ccoc4)c3CC2)c([O-])c1 ZINC001140949373 1378188830 /nfs/dbraw/zinc/18/88/30/1378188830.db2.gz ACHQYNGPGMUUGX-UHFFFAOYSA-N 0 3 335.407 3.351 20 10 EGCDHN Cc1ccc(C[N@H+]2CCc3ncnc(-c4ccoc4)c3CC2)c([O-])c1 ZINC001140949373 1378188833 /nfs/dbraw/zinc/18/88/33/1378188833.db2.gz ACHQYNGPGMUUGX-UHFFFAOYSA-N 0 3 335.407 3.351 20 10 EGCDHN COc1cc([O-])c(C[NH+]2CCC(c3ccc(O)cc3)CC2)c(OC)c1 ZINC001141030652 1378211819 /nfs/dbraw/zinc/21/18/19/1378211819.db2.gz FKXXZKWFSJALQO-UHFFFAOYSA-N 0 3 343.423 3.495 20 10 EGCDHN COc1cc([O-])c(C[N@@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)c(OC)c1 ZINC001141030753 1378212883 /nfs/dbraw/zinc/21/28/83/1378212883.db2.gz JWLWZOGAZBPLBF-OKILXGFUSA-N 0 3 325.408 3.496 20 10 EGCDHN COc1cc([O-])c(C[N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)c(OC)c1 ZINC001141030753 1378212886 /nfs/dbraw/zinc/21/28/86/1378212886.db2.gz JWLWZOGAZBPLBF-OKILXGFUSA-N 0 3 325.408 3.496 20 10 EGCDHN COC(=O)c1cccc([C@H]2CCCN2Cc2cc(O)ccc2O)c1 ZINC001141163289 1378255604 /nfs/dbraw/zinc/25/56/04/1378255604.db2.gz YVDJULGOCWJWJW-QGZVFWFLSA-N 0 3 327.380 3.222 20 10 EGCDHN COc1ccc(N2CCN(CCCNc3ncccc3C)CC2)cc1 ZINC001164328194 1383178152 /nfs/dbraw/zinc/17/81/52/1383178152.db2.gz TUPVUXUSTYINSA-UHFFFAOYSA-N 0 3 340.471 3.023 20 10 EGCDHN Cc1cc(NCc2ccc(N3CCN(C)CC3)cc2)nc2cc[nH]c21 ZINC001167436959 1383633394 /nfs/dbraw/zinc/63/33/94/1383633394.db2.gz IXDQEICWEDBTJF-UHFFFAOYSA-N 0 3 335.455 3.235 20 10 EGCDHN [O-]c1c(CNc2ccc3c(n2)C[NH2+]CC3)cc(Cl)c2cccnc12 ZINC001168522048 1383929130 /nfs/dbraw/zinc/92/91/30/1383929130.db2.gz NZMAAEGAADCCPP-UHFFFAOYSA-N 0 3 340.814 3.247 20 10 EGCDHN O=C(OC1CCC([NH2+]Cc2ccc(O)cc2[O-])CC1)c1ccccc1 ZINC001169280527 1384131624 /nfs/dbraw/zinc/13/16/24/1384131624.db2.gz RCLOUEXUDHTUQF-UHFFFAOYSA-N 0 3 341.407 3.356 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCCC[C@@H]2N(C)C)c1[O-] ZINC001319952343 1386413707 /nfs/dbraw/zinc/41/37/07/1386413707.db2.gz ZVVYPGZMCMBUIK-GJZGRUSLSA-N 0 3 341.293 3.426 20 10 EGCDHN CN(C)c1ccc(C=CC(=O)NCCc2cnc3cc[nH]cc2-3)cc1 ZINC001180130204 1386706103 /nfs/dbraw/zinc/70/61/03/1386706103.db2.gz BCJFOTPHLVWIBC-VMPITWQZSA-N 0 3 334.423 3.001 20 10 EGCDHN CN(C)c1ccc(C=CC(=O)NCCc2c[nH]c3ccncc23)cc1 ZINC001180130204 1386706107 /nfs/dbraw/zinc/70/61/07/1386706107.db2.gz BCJFOTPHLVWIBC-VMPITWQZSA-N 0 3 334.423 3.001 20 10 EGCDHN CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])CC1 ZINC001593264173 994563648 /nfs/dbraw/zinc/56/36/48/994563648.db2.gz GLSNEYQCRNGRQN-AWEZNQCLSA-N 0 3 334.460 3.252 20 10 EGCDHN O=C(/C=C\c1cncs1)N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000493542542 311392450 /nfs/dbraw/zinc/39/24/50/311392450.db2.gz GALBAEJHFMLXRR-LZNQSLFOSA-N 0 3 325.437 3.168 20 10 EGCDHN CC[C@H](NC[C@@H](O)C[NH+]1CCCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287770024 456077427 /nfs/dbraw/zinc/07/74/27/456077427.db2.gz RLIQJGLEZDWWNM-DOMZBBRYSA-N 0 3 347.286 3.196 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)Cn2ccnc2)c1[O-] ZINC000275368085 456274383 /nfs/dbraw/zinc/27/43/83/456274383.db2.gz UZLFBXSWQPVPCX-NWDGAFQWSA-N 0 3 338.249 3.399 20 10 EGCDHN COc1cc(O)c(CNCc2ccc(Cl)cc2F)cc1OC ZINC000189688295 455231076 /nfs/dbraw/zinc/23/10/76/455231076.db2.gz KXBYBNNNJKQWOH-UHFFFAOYSA-N 0 3 325.767 3.492 20 10 EGCDHN C[C@@H](NCCCS(=O)(=O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000158643670 455318878 /nfs/dbraw/zinc/31/88/78/455318878.db2.gz IJKYPNGJRQBZFT-MRXNPFEDSA-N 0 3 346.496 3.267 20 10 EGCDHN CCCOc1ccc(C[N@@H+]2CCC[C@@H](c3nc(C)no3)C2)c([O-])c1 ZINC000091833050 454478364 /nfs/dbraw/zinc/47/83/64/454478364.db2.gz XTYUEGQBXCIWNQ-OAHLLOKOSA-N 0 3 331.416 3.252 20 10 EGCDHN CCCOc1ccc(C[N@H+]2CCC[C@@H](c3nc(C)no3)C2)c([O-])c1 ZINC000091833050 454478367 /nfs/dbraw/zinc/47/83/67/454478367.db2.gz XTYUEGQBXCIWNQ-OAHLLOKOSA-N 0 3 331.416 3.252 20 10 EGCDHN CCOc1ccc([O-])c(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)c1 ZINC000092056953 454510643 /nfs/dbraw/zinc/51/06/43/454510643.db2.gz YEUMMYLVGVSPAM-UHFFFAOYSA-N 0 3 346.471 3.015 20 10 EGCDHN CCOc1ccc(O)c(CN2CCC(CC(=O)N3CCCC3)CC2)c1 ZINC000092056953 454510649 /nfs/dbraw/zinc/51/06/49/454510649.db2.gz YEUMMYLVGVSPAM-UHFFFAOYSA-N 0 3 346.471 3.015 20 10 EGCDHN Cc1ccc([O-])c(C[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)c1 ZINC000092480714 454572578 /nfs/dbraw/zinc/57/25/78/454572578.db2.gz RNCXWTNEAFALQW-UHFFFAOYSA-N 0 3 339.439 3.487 20 10 EGCDHN C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1cccnc1 ZINC000092740583 454621767 /nfs/dbraw/zinc/62/17/67/454621767.db2.gz GAROZFZWGWQVJF-MRXNPFEDSA-N 0 3 325.456 3.141 20 10 EGCDHN CC(C)CNC(=O)c1cccc(CN(C)Cc2ccccc2O)c1 ZINC000109770472 454835215 /nfs/dbraw/zinc/83/52/15/454835215.db2.gz OSZVOHIQPDKQDY-UHFFFAOYSA-N 0 3 326.440 3.410 20 10 EGCDHN Cc1ncc(/C=C/C(=O)N2C[C@H]3CCCN3Cc3ccccc32)s1 ZINC000112237119 454883050 /nfs/dbraw/zinc/88/30/50/454883050.db2.gz KXMVLSJDCDQUPO-ROJDOSBLSA-N 0 3 339.464 3.476 20 10 EGCDHN C[C@@H](NCc1ccc(N2CCCC2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000177975899 454923801 /nfs/dbraw/zinc/92/38/01/454923801.db2.gz AFAJQRJRPMPYGY-MRXNPFEDSA-N 0 3 348.454 3.113 20 10 EGCDHN Cc1ccc([C@H](C)NCC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000182324592 455488915 /nfs/dbraw/zinc/48/89/15/455488915.db2.gz PJLQVYRVODIZEL-INIZCTEOSA-N 0 3 325.456 3.028 20 10 EGCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]Cc2ccncc2)C1 ZINC000113359305 454925022 /nfs/dbraw/zinc/92/50/22/454925022.db2.gz REIWMWNNLTUQLR-QGZVFWFLSA-N 0 3 331.847 3.195 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCN2CCc3sccc3C2)c1 ZINC000185104836 455502481 /nfs/dbraw/zinc/50/24/81/455502481.db2.gz OTERPZDXENUFMF-CYBMUJFWSA-N 0 3 332.469 3.171 20 10 EGCDHN CC[C@H]([NH2+]C[C@H](O)COc1ccc(F)c(F)c1)c1ccccc1[O-] ZINC000155705245 455034061 /nfs/dbraw/zinc/03/40/61/455034061.db2.gz CFTCXALYOWXTJY-SJCJKPOMSA-N 0 3 337.366 3.151 20 10 EGCDHN CC[C@H]([NH2+]CCOc1cccc(NC(C)=O)c1)c1ccccc1[O-] ZINC000156474121 455123017 /nfs/dbraw/zinc/12/30/17/455123017.db2.gz QHTQBYRUOJSDBR-SFHVURJKSA-N 0 3 328.412 3.470 20 10 EGCDHN CCN(C)C(=O)[C@@H](C)N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000189406377 455191145 /nfs/dbraw/zinc/19/11/45/455191145.db2.gz KOFAPPPSYVXMAU-LSDHHAIUSA-N 0 3 335.467 3.333 20 10 EGCDHN C[C@@H]([NH2+]C[C@](O)(c1ccccc1)C(F)(F)F)c1ccccc1[O-] ZINC000183487085 455298693 /nfs/dbraw/zinc/29/86/93/455298693.db2.gz DFDIIFWSZXQMBE-WBMJQRKESA-N 0 3 325.330 3.493 20 10 EGCDHN COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@@H](C)c3ccccc3[O-])C2)c1 ZINC000183543645 455304990 /nfs/dbraw/zinc/30/49/90/455304990.db2.gz OLHKMWYPYFGUCB-LSDHHAIUSA-N 0 3 342.439 3.339 20 10 EGCDHN CCOC(=O)COc1ccc(CC[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000183613593 455312596 /nfs/dbraw/zinc/31/25/96/455312596.db2.gz OKZYOSONAUZJIM-HNNXBMFYSA-N 0 3 343.423 3.227 20 10 EGCDHN CSc1nnc(CCC[NH2+]Cc2cccc(C)c2[O-])n1CC(C)C ZINC000182205653 455460646 /nfs/dbraw/zinc/46/06/46/455460646.db2.gz INAIZVDLXLIVIS-UHFFFAOYSA-N 0 3 348.516 3.392 20 10 EGCDHN C[C@H]([NH2+]C[C@H](c1ccccc1)N1CCOCC1)c1cc(F)ccc1[O-] ZINC000184919447 455472666 /nfs/dbraw/zinc/47/26/66/455472666.db2.gz WTZLODSIRSJDJU-HNAYVOBHSA-N 0 3 344.430 3.255 20 10 EGCDHN C[C@H]([NH2+]CCC(=O)N1CCCCC1)c1cc2c(cc1[O-])CCCC2 ZINC000185061931 455493924 /nfs/dbraw/zinc/49/39/24/455493924.db2.gz DXCMOWGBLRUAMH-HNNXBMFYSA-N 0 3 330.472 3.324 20 10 EGCDHN CNS(=O)(=O)c1cccc([C@@H](C)N[C@H](C)c2cc(C)ccc2O)c1 ZINC000185322498 455540366 /nfs/dbraw/zinc/54/03/66/455540366.db2.gz CRHHVFUKRHDAHF-ZIAGYGMSSA-N 0 3 348.468 3.021 20 10 EGCDHN CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2[O-])[C@H](C)C1 ZINC000185461163 455560808 /nfs/dbraw/zinc/56/08/08/455560808.db2.gz CJRIKSOQYPFCCS-VKJFTORMSA-N 0 3 338.467 3.319 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]C2CCN(c3cc(C)nc(C)n3)CC2)c([O-])c1 ZINC000185655158 455590598 /nfs/dbraw/zinc/59/05/98/455590598.db2.gz VJKPYRKJOBBAGV-HNNXBMFYSA-N 0 3 340.471 3.427 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3F)C2=O)c([O-])c1 ZINC000186022734 455678239 /nfs/dbraw/zinc/67/82/39/455678239.db2.gz VMBBLBCDEJLPCV-CZUORRHYSA-N 0 3 328.387 3.296 20 10 EGCDHN C[C@@H](NC[C@@H](O)c1ccccc1F)c1ccc(N2CCOCC2)cc1 ZINC000268826183 455715778 /nfs/dbraw/zinc/71/57/78/455715778.db2.gz YYZGZORUBWCQEU-FOIQADDNSA-N 0 3 344.430 3.047 20 10 EGCDHN COC[C@H](CCO)[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000293267622 455780563 /nfs/dbraw/zinc/78/05/63/455780563.db2.gz CFIXYZQKZLSTKL-HKUYNNGSSA-N 0 3 329.440 3.053 20 10 EGCDHN CC(C)(C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-])OCCO ZINC000294068972 455804647 /nfs/dbraw/zinc/80/46/47/455804647.db2.gz HSPXVVWCBGUNRY-IBGZPJMESA-N 0 3 343.467 3.443 20 10 EGCDHN CCOc1cccc(CN(Cc2cccc(C(N)=O)c2)C2CC2)c1O ZINC000294677463 455823365 /nfs/dbraw/zinc/82/33/65/455823365.db2.gz BGAOMGRRBCNRNK-UHFFFAOYSA-N 0 3 340.423 3.054 20 10 EGCDHN COc1cc([O-])c(C[NH2+][C@@H](CC(C)C)CN2CCCC2)cc1OC ZINC000295169301 455842449 /nfs/dbraw/zinc/84/24/49/455842449.db2.gz UBSSQPGKPBYDMD-INIZCTEOSA-N 0 3 336.476 3.010 20 10 EGCDHN O=C1CCCN1Cc1ccc(C[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000295928786 455863560 /nfs/dbraw/zinc/86/35/60/455863560.db2.gz KEWFIZVUYQQPMU-SFHVURJKSA-N 0 3 336.435 3.292 20 10 EGCDHN CC[C@H]([NH2+][C@H](CO)C[C@H](O)c1ccccc1)c1ccc(C)cc1[O-] ZINC000279925940 455877605 /nfs/dbraw/zinc/87/76/05/455877605.db2.gz AJXSRQNTTBSQQX-WDSOQIARSA-N 0 3 329.440 3.226 20 10 EGCDHN CC[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1ccc(C)cc1[O-] ZINC000280030533 455881576 /nfs/dbraw/zinc/88/15/76/455881576.db2.gz IBYUAMOIWADHJT-SFHVURJKSA-N 0 3 347.480 3.486 20 10 EGCDHN C[C@@H]1C[N@H+](Cc2cc(F)ccc2[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000272328286 455915773 /nfs/dbraw/zinc/91/57/73/455915773.db2.gz VONLOZAXGOFUSP-DOMZBBRYSA-N 0 3 338.423 3.266 20 10 EGCDHN C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000272328286 455915774 /nfs/dbraw/zinc/91/57/74/455915774.db2.gz VONLOZAXGOFUSP-DOMZBBRYSA-N 0 3 338.423 3.266 20 10 EGCDHN CC[C@@H]([NH2+]CCc1nnc2n1CCCCC2)c1ccc(C)cc1[O-] ZINC000280291907 455938532 /nfs/dbraw/zinc/93/85/32/455938532.db2.gz ZHERKLWCAXTVCE-MRXNPFEDSA-N 0 3 328.460 3.302 20 10 EGCDHN C[C@H]1O[C@@H](C)C[C@H]1NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000296451087 455942304 /nfs/dbraw/zinc/94/23/04/455942304.db2.gz OENPLBJHWBPQPL-BHDXSGHGSA-N 0 3 336.451 3.095 20 10 EGCDHN COC[C@]1(C[NH2+][C@H]2CCc3cccc([O-])c32)OCCc2ccccc21 ZINC000297419338 456215927 /nfs/dbraw/zinc/21/59/27/456215927.db2.gz UNWUFARYYKICTI-RXVVDRJESA-N 0 3 339.435 3.084 20 10 EGCDHN Cc1ccc([C@H](C)NCCS(=O)(=O)Cc2ccccc2)c(O)c1C ZINC000273396484 456227660 /nfs/dbraw/zinc/22/76/60/456227660.db2.gz LZTHHGKKIRQPCK-INIZCTEOSA-N 0 3 347.480 3.275 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCc2cc(OC)c(OC)c(OC)c2)c1 ZINC000273427606 456230411 /nfs/dbraw/zinc/23/04/11/456230411.db2.gz URXXHQNBGRWJIA-LBPRGKRZSA-N 0 3 347.411 3.277 20 10 EGCDHN CCOc1cccc(CN[C@H](CN(C)C)c2ccc(F)cc2)c1O ZINC000290121710 456245699 /nfs/dbraw/zinc/24/56/99/456245699.db2.gz MCNPRTNJVGAPAE-QGZVFWFLSA-N 0 3 332.419 3.323 20 10 EGCDHN CC[C@H]([NH2+]CC1=CCN(C)CC1)c1cc(Br)ccc1[O-] ZINC000274755633 456264200 /nfs/dbraw/zinc/26/42/00/456264200.db2.gz ITSWASMENTZEKY-HNNXBMFYSA-N 0 3 339.277 3.457 20 10 EGCDHN Cc1cccc(C[NH2+][C@@H](C)c2ccc(N3CCCNC3=O)cc2)c1[O-] ZINC000291016834 456497959 /nfs/dbraw/zinc/49/79/59/456497959.db2.gz BXQPRSFFAKINSL-HNNXBMFYSA-N 0 3 339.439 3.471 20 10 EGCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)cc1OC ZINC000362636177 457018143 /nfs/dbraw/zinc/01/81/43/457018143.db2.gz DKWDYMPYTQQHIT-LSDHHAIUSA-N 0 3 335.444 3.048 20 10 EGCDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)cc1OC ZINC000362636177 457018150 /nfs/dbraw/zinc/01/81/50/457018150.db2.gz DKWDYMPYTQQHIT-LSDHHAIUSA-N 0 3 335.444 3.048 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ncccc3F)C2)c([O-])c1C ZINC000373255322 458443907 /nfs/dbraw/zinc/44/39/07/458443907.db2.gz KCCUSRZXBJKGGU-HUUCEWRRSA-N 0 3 329.419 3.473 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ncccc3F)C2)c([O-])c1C ZINC000373255321 458443983 /nfs/dbraw/zinc/44/39/83/458443983.db2.gz KCCUSRZXBJKGGU-GJZGRUSLSA-N 0 3 329.419 3.473 20 10 EGCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]Cc2ccc(F)nc2)C1 ZINC000373525697 458518937 /nfs/dbraw/zinc/51/89/37/458518937.db2.gz DVZORFAIARSRTI-MRXNPFEDSA-N 0 3 349.837 3.334 20 10 EGCDHN COC(=O)N1CCC[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000726607703 574563596 /nfs/dbraw/zinc/56/35/96/574563596.db2.gz UNTSGARQRPAJRF-SFHVURJKSA-N 0 3 340.423 3.380 20 10 EGCDHN CN1C[C@@H](NCc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)CC1=O ZINC000726797475 574571981 /nfs/dbraw/zinc/57/19/81/574571981.db2.gz GBOHSXMUYDHVIM-HNNXBMFYSA-N 0 3 332.488 3.308 20 10 EGCDHN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H](N3CCCC3)C2)cc1 ZINC000727109395 574648959 /nfs/dbraw/zinc/64/89/59/574648959.db2.gz FXNCYIYCIJUMPN-FQEVSTJZSA-N 0 3 337.467 3.404 20 10 EGCDHN C[C@@H](NCc1ccc2[nH]cnc2c1)c1ccc(N2CCOCC2)cc1 ZINC000727469312 574670171 /nfs/dbraw/zinc/67/01/71/574670171.db2.gz WEZWKHJGMVZVKR-OAHLLOKOSA-N 0 3 336.439 3.250 20 10 EGCDHN C[C@@H](NCc1ccc2nc[nH]c2c1)c1ccc(N2CCOCC2)cc1 ZINC000727469312 574670174 /nfs/dbraw/zinc/67/01/74/574670174.db2.gz WEZWKHJGMVZVKR-OAHLLOKOSA-N 0 3 336.439 3.250 20 10 EGCDHN CCCCCCN(C)CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000731869853 575213641 /nfs/dbraw/zinc/21/36/41/575213641.db2.gz XEAVYFCIWYIJDT-UHFFFAOYSA-N 0 3 331.504 3.415 20 10 EGCDHN Cc1ccc2nc(CN(C)c3ccc(OCCN(C)C)cc3)cn2c1 ZINC000732410521 575268146 /nfs/dbraw/zinc/26/81/46/575268146.db2.gz CYHOPKMXBOJDFJ-UHFFFAOYSA-N 0 3 338.455 3.220 20 10 EGCDHN CCOc1ccc(C[NH2+]C[C@](C)(O)c2ccc(F)cc2F)c([O-])c1 ZINC000734004165 575421256 /nfs/dbraw/zinc/42/12/56/575421256.db2.gz RGPPXLGEUVXIHZ-SFHVURJKSA-N 0 3 337.366 3.066 20 10 EGCDHN CCN(CC)c1ccc(CNCCC(=O)Nc2ccccn2)cc1F ZINC000740004487 576530493 /nfs/dbraw/zinc/53/04/93/576530493.db2.gz OCOORWZHPBVRPY-UHFFFAOYSA-N 0 3 344.434 3.185 20 10 EGCDHN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000741722792 576713666 /nfs/dbraw/zinc/71/36/66/576713666.db2.gz RVXFWQMPNLJNEP-LSDHHAIUSA-N 0 3 331.485 3.368 20 10 EGCDHN C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@@H]1COCCO1 ZINC000828563962 1292474814 /nfs/dbraw/zinc/47/48/14/1292474814.db2.gz KGBCTUOADSAIGC-VQIMIIECSA-N 0 3 327.424 3.371 20 10 EGCDHN C[C@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@@H]1COCCO1 ZINC000828563962 1292474818 /nfs/dbraw/zinc/47/48/18/1292474818.db2.gz KGBCTUOADSAIGC-VQIMIIECSA-N 0 3 327.424 3.371 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC[C@H](CCC(N)=O)C2)cc1F ZINC000092660212 1292882962 /nfs/dbraw/zinc/88/29/62/1292882962.db2.gz QDBMTRKPBUIOQJ-OAHLLOKOSA-N 0 3 335.467 3.149 20 10 EGCDHN COC[C@H]1CCCN(Cc2cc(Br)cc(OC)c2O)C1 ZINC000093337457 1292916173 /nfs/dbraw/zinc/91/61/73/1292916173.db2.gz LTIMZKFCRCFLPW-NSHDSACASA-N 0 3 344.249 3.022 20 10 EGCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1)CC2 ZINC000834783031 1293147530 /nfs/dbraw/zinc/14/75/30/1293147530.db2.gz ARAVJGFQTQVZLG-ABSDTBQOSA-N 0 3 327.399 3.274 20 10 EGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H](O)c1cccc(Br)c1)CC2 ZINC000834793995 1293149368 /nfs/dbraw/zinc/14/93/68/1293149368.db2.gz LQMYYBGGPGSTQX-ZBFHGGJFSA-N 0 3 348.240 3.465 20 10 EGCDHN CC[C@H]([NH2+][C@@H]1CCO[C@H](c2ccnn2C)C1)c1ccc(C)cc1[O-] ZINC000834897124 1293168241 /nfs/dbraw/zinc/16/82/41/1293168241.db2.gz PXMZIOHWVRCLPM-ALKREAHSSA-N 0 3 329.444 3.395 20 10 EGCDHN CCOC1CCN(Cc2cc(Br)cc(C)c2O)CC1 ZINC000124538539 1293478320 /nfs/dbraw/zinc/47/83/20/1293478320.db2.gz GVPVGLXSVQOSOJ-UHFFFAOYSA-N 0 3 328.250 3.464 20 10 EGCDHN CCOC1CC[NH+](Cc2cc(Br)cc(C)c2[O-])CC1 ZINC000124538539 1293478325 /nfs/dbraw/zinc/47/83/25/1293478325.db2.gz GVPVGLXSVQOSOJ-UHFFFAOYSA-N 0 3 328.250 3.464 20 10 EGCDHN CC(C)(NCc1ccc2c(c1)CCO2)C(=O)NCC1CCCCC1 ZINC000129491135 1293625584 /nfs/dbraw/zinc/62/55/84/1293625584.db2.gz RAQOYCQVSMIUOR-UHFFFAOYSA-N 0 3 330.472 3.186 20 10 EGCDHN CCC[N@H+](Cc1cc(=O)n2cccc(C)c2n1)Cc1ccccc1[O-] ZINC000130720227 1293666914 /nfs/dbraw/zinc/66/69/14/1293666914.db2.gz WHIVZKVSCTUMMB-UHFFFAOYSA-N 0 3 337.423 3.121 20 10 EGCDHN CCC[N@@H+](Cc1cc(=O)n2cccc(C)c2n1)Cc1ccccc1[O-] ZINC000130720227 1293666919 /nfs/dbraw/zinc/66/69/19/1293666919.db2.gz WHIVZKVSCTUMMB-UHFFFAOYSA-N 0 3 337.423 3.121 20 10 EGCDHN Cc1cc(N(C)C)ccc1CNC(=O)N(CCN(C)C)C1CCCC1 ZINC000133596785 1293749009 /nfs/dbraw/zinc/74/90/09/1293749009.db2.gz AIHOHHWQIFLRII-UHFFFAOYSA-N 0 3 346.519 3.077 20 10 EGCDHN CCOc1cccc(CN(C)C[C@@H]2COc3ccccc3O2)c1O ZINC000179634233 1294809707 /nfs/dbraw/zinc/80/97/07/1294809707.db2.gz ZSLDTRLROKNSCJ-OAHLLOKOSA-N 0 3 329.396 3.063 20 10 EGCDHN CCOc1cccc(CN(C)C[C@H]2COc3ccccc3O2)c1O ZINC000179634250 1294810112 /nfs/dbraw/zinc/81/01/12/1294810112.db2.gz ZSLDTRLROKNSCJ-HNNXBMFYSA-N 0 3 329.396 3.063 20 10 EGCDHN CC[C@@H](NCC(=O)NCCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000181404563 1294965257 /nfs/dbraw/zinc/96/52/57/1294965257.db2.gz YGYILSCKLYOYGZ-HXUWFJFHSA-N 0 3 339.483 3.152 20 10 EGCDHN CCN(C(=O)CN[C@@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000182318047 1295035473 /nfs/dbraw/zinc/03/54/73/1295035473.db2.gz HCMCZPCTABPPGL-AWEZNQCLSA-N 0 3 328.412 3.105 20 10 EGCDHN CCc1oc(C(=O)OC)cc1CN[C@H](C)c1cc(OC)ccc1O ZINC000182414126 1295046141 /nfs/dbraw/zinc/04/61/41/1295046141.db2.gz OQLKBVRNWOFFCT-LLVKDONJSA-N 0 3 333.384 3.194 20 10 EGCDHN C[C@@H]([NH2+]CCCN1CCN(c2ccccc2)CC1)c1ccccc1[O-] ZINC000183400762 1295116841 /nfs/dbraw/zinc/11/68/41/1295116841.db2.gz IEDLYANWHQUJRM-GOSISDBHSA-N 0 3 339.483 3.255 20 10 EGCDHN C[C@@H]([NH2+][C@@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccccc1[O-] ZINC000183555227 1295130634 /nfs/dbraw/zinc/13/06/34/1295130634.db2.gz WTEZKYZVBCPZBP-SJLPKXTDSA-N 0 3 338.451 3.277 20 10 EGCDHN CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)c1ccccc1[O-] ZINC000183627754 1295135233 /nfs/dbraw/zinc/13/52/33/1295135233.db2.gz YSSNJAQYTIBLFI-HUUCEWRRSA-N 0 3 333.453 3.295 20 10 EGCDHN CCOC(=O)[C@@](C)(C[NH2+]Cc1cc(F)ccc1[O-])c1ccccc1 ZINC000191637202 1295699606 /nfs/dbraw/zinc/69/96/06/1295699606.db2.gz AGPWVTKSUIJTDO-IBGZPJMESA-N 0 3 331.387 3.142 20 10 EGCDHN C[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])CC[C@H]1O ZINC000250098025 1296455227 /nfs/dbraw/zinc/45/52/27/1296455227.db2.gz QYQATGIICBHXJU-HNAYVOBHSA-N 0 3 327.424 3.174 20 10 EGCDHN C[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])CC[C@H]1O ZINC000250098025 1296455229 /nfs/dbraw/zinc/45/52/29/1296455229.db2.gz QYQATGIICBHXJU-HNAYVOBHSA-N 0 3 327.424 3.174 20 10 EGCDHN CC(C)(C)OC(=O)NC1(C[NH2+][C@@H]2CCc3cccc([O-])c32)CCC1 ZINC000310509856 1297094137 /nfs/dbraw/zinc/09/41/37/1297094137.db2.gz UJIUDEJXXNBLGH-CQSZACIVSA-N 0 3 332.444 3.417 20 10 EGCDHN C[C@H](NCc1cc(N)cc(F)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000873287358 1297409526 /nfs/dbraw/zinc/40/95/26/1297409526.db2.gz CYBONIGXIBDYHB-ZDUSSCGKSA-N 0 3 347.409 3.234 20 10 EGCDHN C[C@@H](NC(=O)NC[C@H](c1ccccc1)N(C)C)c1ccccc1O ZINC000874988852 1298191418 /nfs/dbraw/zinc/19/14/18/1298191418.db2.gz GMAKRHZXSFNDAJ-RHSMWYFYSA-N 0 3 327.428 3.055 20 10 EGCDHN CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000715095565 1298277643 /nfs/dbraw/zinc/27/76/43/1298277643.db2.gz FXEYYJPDTHPBBQ-CFVMTHIKSA-N 0 3 332.444 3.272 20 10 EGCDHN C[C@H]([NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1cc(F)ccc1[O-] ZINC000715109439 1298278345 /nfs/dbraw/zinc/27/83/45/1298278345.db2.gz LOJOEAIMWIIEDG-SGMGOOAPSA-N 0 3 338.423 3.485 20 10 EGCDHN [O-]c1c(F)cc(Br)cc1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000715778768 1298287424 /nfs/dbraw/zinc/28/74/24/1298287424.db2.gz MIOGRPFBDKOCIU-QWHCGFSZSA-N 0 3 343.240 3.010 20 10 EGCDHN [O-]c1c(F)cc(Br)cc1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000715778768 1298287433 /nfs/dbraw/zinc/28/74/33/1298287433.db2.gz MIOGRPFBDKOCIU-QWHCGFSZSA-N 0 3 343.240 3.010 20 10 EGCDHN COc1cccc([O-])c1C[NH2+]C[C@H](c1ccc(C)o1)N1CCCC1 ZINC000725853765 1298376918 /nfs/dbraw/zinc/37/69/18/1298376918.db2.gz VOUOPYMTUZFCBU-MRXNPFEDSA-N 0 3 330.428 3.229 20 10 EGCDHN Cc1cccc([O-])c1C[N@@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000876660885 1298906832 /nfs/dbraw/zinc/90/68/32/1298906832.db2.gz BAHQWPLULDEJDS-UHFFFAOYSA-N 0 3 338.451 3.437 20 10 EGCDHN Cc1cccc([O-])c1C[N@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000876660885 1298906846 /nfs/dbraw/zinc/90/68/46/1298906846.db2.gz BAHQWPLULDEJDS-UHFFFAOYSA-N 0 3 338.451 3.437 20 10 EGCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000876736215 1298945841 /nfs/dbraw/zinc/94/58/41/1298945841.db2.gz UKYMWVKWALOHDW-GDBMZVCRSA-N 0 3 334.460 3.436 20 10 EGCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000876736215 1298945852 /nfs/dbraw/zinc/94/58/52/1298945852.db2.gz UKYMWVKWALOHDW-GDBMZVCRSA-N 0 3 334.460 3.436 20 10 EGCDHN [O-]c1ccc2ccccc2c1C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000748269499 1298971710 /nfs/dbraw/zinc/97/17/10/1298971710.db2.gz YRLBFXFBXMJYEQ-KRWDZBQOSA-N 0 3 327.424 3.315 20 10 EGCDHN Cc1ccc(C[NH2+]C[C@@H](O)c2cccc(Br)c2)c([O-])c1 ZINC000877503808 1299354047 /nfs/dbraw/zinc/35/40/47/1299354047.db2.gz BHUZDGUYOVISPV-MRXNPFEDSA-N 0 3 336.229 3.286 20 10 EGCDHN OC1CCN(c2ccc(CN3CCC[C@H]3c3cccnc3)cc2)CC1 ZINC000877524388 1299368336 /nfs/dbraw/zinc/36/83/36/1299368336.db2.gz WJRBFRSDPNUQKA-NRFANRHFSA-N 0 3 337.467 3.380 20 10 EGCDHN C[C@H]([NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@H]1CCCO1 ZINC000753660659 1300002270 /nfs/dbraw/zinc/00/22/70/1300002270.db2.gz AMQVKDRFWUADDN-FDQGKXFDSA-N 0 3 338.879 3.167 20 10 EGCDHN CCCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1ccccc1[O-] ZINC000878565887 1300082347 /nfs/dbraw/zinc/08/23/47/1300082347.db2.gz VKBCGPSXMCISLV-UHFFFAOYSA-N 0 3 332.404 3.108 20 10 EGCDHN CCCC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1ccccc1[O-] ZINC000878565887 1300082357 /nfs/dbraw/zinc/08/23/57/1300082357.db2.gz VKBCGPSXMCISLV-UHFFFAOYSA-N 0 3 332.404 3.108 20 10 EGCDHN Cc1cc(C)c(O)c(CN2CCCN(C(=O)OCC(C)C)CC2)c1 ZINC000754729529 1300202098 /nfs/dbraw/zinc/20/20/98/1300202098.db2.gz AHHXQAPFTXZICN-UHFFFAOYSA-N 0 3 334.460 3.309 20 10 EGCDHN Cc1ccc(Cl)c(OC[C@H](O)C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000879649177 1300649591 /nfs/dbraw/zinc/64/95/91/1300649591.db2.gz KVZZSKWQHDYFQR-ZIAGYGMSSA-N 0 3 335.831 3.445 20 10 EGCDHN COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])c(OC)c1 ZINC000879649038 1300649709 /nfs/dbraw/zinc/64/97/09/1300649709.db2.gz JYYAEVHXDVMKTG-CHWSQXEVSA-N 0 3 344.411 3.087 20 10 EGCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)N(C)Cc1cccc(F)c1 ZINC000879649368 1300650001 /nfs/dbraw/zinc/65/00/01/1300650001.db2.gz RHKPJCWXLYBIQZ-ZIAGYGMSSA-N 0 3 330.403 3.229 20 10 EGCDHN CCN(C)c1ccc([C@H](C)NCc2ccc3c(c2)C(=O)NCC3)cc1 ZINC000757662172 1300705722 /nfs/dbraw/zinc/70/57/22/1300705722.db2.gz STRJJDRBENBADU-HNNXBMFYSA-N 0 3 337.467 3.279 20 10 EGCDHN CCOc1ccc(C[N@H+](CC)C[C@H]2COc3ccccc3O2)c([O-])c1 ZINC000768178230 1302843820 /nfs/dbraw/zinc/84/38/20/1302843820.db2.gz FZYNBNYDGSVUNS-KRWDZBQOSA-N 0 3 343.423 3.453 20 10 EGCDHN CCOc1ccc(C[N@@H+](CC)C[C@H]2COc3ccccc3O2)c([O-])c1 ZINC000768178230 1302843829 /nfs/dbraw/zinc/84/38/29/1302843829.db2.gz FZYNBNYDGSVUNS-KRWDZBQOSA-N 0 3 343.423 3.453 20 10 EGCDHN CCOc1cccc(CN2CCN(c3ccccc3C)CC2)c1O ZINC000768193221 1302850648 /nfs/dbraw/zinc/85/06/48/1302850648.db2.gz WOXRFFVQBVOREK-UHFFFAOYSA-N 0 3 326.440 3.422 20 10 EGCDHN COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768452845 1302908586 /nfs/dbraw/zinc/90/85/86/1302908586.db2.gz TWEUKYMBDTVEGW-WMZOPIPTSA-N 0 3 341.407 3.164 20 10 EGCDHN COc1ccccc1[C@@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768452845 1302908598 /nfs/dbraw/zinc/90/85/98/1302908598.db2.gz TWEUKYMBDTVEGW-WMZOPIPTSA-N 0 3 341.407 3.164 20 10 EGCDHN CCCCO[C@@H]1C[C@H]([N@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)C1(C)C ZINC000768464454 1302912143 /nfs/dbraw/zinc/91/21/43/1302912143.db2.gz RVIPWMDWDFWFQZ-YTQUADARSA-N 0 3 349.471 3.234 20 10 EGCDHN CCCCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)C1(C)C ZINC000768464454 1302912151 /nfs/dbraw/zinc/91/21/51/1302912151.db2.gz RVIPWMDWDFWFQZ-YTQUADARSA-N 0 3 349.471 3.234 20 10 EGCDHN C[C@H](O)[C@@H]1CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000768518832 1302922446 /nfs/dbraw/zinc/92/24/46/1302922446.db2.gz JBOQFRAIFMURME-DOTOQJQBSA-N 0 3 347.459 3.178 20 10 EGCDHN Fc1cc(CN2CC[C@@H]2Cc2ccccc2)ccc1N1CCOCC1 ZINC000769506242 1303130988 /nfs/dbraw/zinc/13/09/88/1303130988.db2.gz PIOWRHAQEYLWSJ-LJQANCHMSA-N 0 3 340.442 3.479 20 10 EGCDHN Cc1cccc(C2=CC[N@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)CC2)c1 ZINC000770661443 1303301399 /nfs/dbraw/zinc/30/13/99/1303301399.db2.gz RZTOCUMQUOWGBQ-HXUWFJFHSA-N 0 3 337.419 3.416 20 10 EGCDHN Cc1cccc(C2=CC[N@@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)CC2)c1 ZINC000770661443 1303301404 /nfs/dbraw/zinc/30/14/04/1303301404.db2.gz RZTOCUMQUOWGBQ-HXUWFJFHSA-N 0 3 337.419 3.416 20 10 EGCDHN COc1cc(Br)cc(C[NH2+]C[C@H]2CCO[C@@H](C)C2)c1[O-] ZINC000770745938 1303312901 /nfs/dbraw/zinc/31/29/01/1303312901.db2.gz JYJVJDSRNBJNKS-QWRGUYRKSA-N 0 3 344.249 3.068 20 10 EGCDHN CCOCCCN1CC[C@H]([NH2+][C@H](C)c2c([O-])cccc2F)[C@H](C)C1 ZINC000886528084 1303488482 /nfs/dbraw/zinc/48/84/82/1303488482.db2.gz GSLJGJCTBKMUOF-INMHGKMJSA-N 0 3 338.467 3.319 20 10 EGCDHN CCN(C)c1ccc(CN(C)[C@@H](CO)c2ccc(OC)cc2)cc1 ZINC000773758775 1303736395 /nfs/dbraw/zinc/73/63/95/1303736395.db2.gz YQARJIIWZTWZDV-FQEVSTJZSA-N 0 3 328.456 3.317 20 10 EGCDHN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)N(C)Cc1ccccc1 ZINC000774480765 1303814746 /nfs/dbraw/zinc/81/47/46/1303814746.db2.gz DIHIEGRIGCZTEX-DLBZAZTESA-N 0 3 339.483 3.450 20 10 EGCDHN CC[C@@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000774844164 1303866134 /nfs/dbraw/zinc/86/61/34/1303866134.db2.gz TXWIUQYCRPALBM-HXUWFJFHSA-N 0 3 339.483 3.452 20 10 EGCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2ccc3c(c2)CCC3)c1 ZINC000775364277 1303947552 /nfs/dbraw/zinc/94/75/52/1303947552.db2.gz QNCJTEVKKMAJTL-CYBMUJFWSA-N 0 3 340.423 3.179 20 10 EGCDHN CC(C)(CC[NH+]1CCCCCC1)NCc1cc([N+](=O)[O-])ccc1[O-] ZINC000775367920 1303947735 /nfs/dbraw/zinc/94/77/35/1303947735.db2.gz XZEUTVMPDHMSPQ-UHFFFAOYSA-N 0 3 335.448 3.435 20 10 EGCDHN C[C@H](NCC(=O)NCCCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000775831791 1304045732 /nfs/dbraw/zinc/04/57/32/1304045732.db2.gz USOVBHYLHXRHNL-KRWDZBQOSA-N 0 3 339.483 3.152 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC(C)(C)N(C)C)c1[O-] ZINC000779004271 1304517283 /nfs/dbraw/zinc/51/72/83/1304517283.db2.gz CNFXHERBSSUTPQ-LLVKDONJSA-N 0 3 329.282 3.454 20 10 EGCDHN COCC[N@H+](CCOc1ccc(F)cc1)Cc1cc(F)ccc1[O-] ZINC000779015543 1304518046 /nfs/dbraw/zinc/51/80/46/1304518046.db2.gz OMXWSHJOGZNTGR-UHFFFAOYSA-N 0 3 337.366 3.198 20 10 EGCDHN COCC[N@@H+](CCOc1ccc(F)cc1)Cc1cc(F)ccc1[O-] ZINC000779015543 1304518049 /nfs/dbraw/zinc/51/80/49/1304518049.db2.gz OMXWSHJOGZNTGR-UHFFFAOYSA-N 0 3 337.366 3.198 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+](C)C[C@H]2CCCC[C@H]2O)c1[O-] ZINC000779152570 1304534974 /nfs/dbraw/zinc/53/49/74/1304534974.db2.gz CDBJHYSLBCUCJK-IUODEOHRSA-N 0 3 342.277 3.446 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+](C)C[C@H]2CCCC[C@H]2O)c1[O-] ZINC000779152570 1304534979 /nfs/dbraw/zinc/53/49/79/1304534979.db2.gz CDBJHYSLBCUCJK-IUODEOHRSA-N 0 3 342.277 3.446 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+](C)C[C@H]2CCCC[C@@H]2O)c1[O-] ZINC000779152569 1304535798 /nfs/dbraw/zinc/53/57/98/1304535798.db2.gz CDBJHYSLBCUCJK-DOMZBBRYSA-N 0 3 342.277 3.446 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+](C)C[C@H]2CCCC[C@@H]2O)c1[O-] ZINC000779152569 1304535801 /nfs/dbraw/zinc/53/58/01/1304535801.db2.gz CDBJHYSLBCUCJK-DOMZBBRYSA-N 0 3 342.277 3.446 20 10 EGCDHN C[C@H](NC(=O)c1cc([O-])cs1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000779326599 1304557251 /nfs/dbraw/zinc/55/72/51/1304557251.db2.gz WXPUNEBVIJNXGM-ZFWWWQNUSA-N 0 3 330.453 3.094 20 10 EGCDHN C[C@H](NC(=O)c1cc([O-])cs1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000779326599 1304557256 /nfs/dbraw/zinc/55/72/56/1304557256.db2.gz WXPUNEBVIJNXGM-ZFWWWQNUSA-N 0 3 330.453 3.094 20 10 EGCDHN CN(C)c1ccc(CNC(=O)CN2CCCC3(CCCC3)C2)cc1 ZINC000782636794 1304996495 /nfs/dbraw/zinc/99/64/95/1304996495.db2.gz LKASPCNSQMUPBH-UHFFFAOYSA-N 0 3 329.488 3.025 20 10 EGCDHN CN(C)c1ccc([C@@H](CNC(=O)CC2CCSCC2)N(C)C)cc1 ZINC000891253048 1305000544 /nfs/dbraw/zinc/00/05/44/1305000544.db2.gz PRDXNAFSNDPRQS-GOSISDBHSA-N 0 3 349.544 3.005 20 10 EGCDHN Cc1ccc([C@@H](C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC000891250490 1305000929 /nfs/dbraw/zinc/00/09/29/1305000929.db2.gz AHEACNULCDCKLE-QAPCUYQASA-N 0 3 343.471 3.177 20 10 EGCDHN CN(C)c1ccc([C@@H](CNC(=O)CCc2ccsc2)N(C)C)cc1 ZINC000891255122 1305001965 /nfs/dbraw/zinc/00/19/65/1305001965.db2.gz MWWWNYRFNYXOJQ-GOSISDBHSA-N 0 3 345.512 3.166 20 10 EGCDHN C[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(N2CCNC2=O)cc1 ZINC000786821994 1305636379 /nfs/dbraw/zinc/63/63/79/1305636379.db2.gz RPZDJDRSQGUAGM-CQSZACIVSA-N 0 3 337.423 3.002 20 10 EGCDHN Cc1cc(C)c([C@H](C)NCc2ccc(S(C)(=O)=O)s2)c(O)c1 ZINC000788754880 1306010545 /nfs/dbraw/zinc/01/05/45/1306010545.db2.gz CKYKXUMDJCSHJU-LBPRGKRZSA-N 0 3 339.482 3.325 20 10 EGCDHN COc1cc(C)cc(CNCc2cccc(N3CCCC3=O)c2)c1O ZINC000894175755 1306261048 /nfs/dbraw/zinc/26/10/48/1306261048.db2.gz KNPNCEJVXFHDIR-UHFFFAOYSA-N 0 3 340.423 3.126 20 10 EGCDHN COCCOc1ccccc1CNCc1cc(C)cc(OC)c1O ZINC000894200238 1306272839 /nfs/dbraw/zinc/27/28/39/1306272839.db2.gz YIIMFUMAJMHQGQ-UHFFFAOYSA-N 0 3 331.412 3.024 20 10 EGCDHN Cc1ncoc1CNC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000894216241 1306283345 /nfs/dbraw/zinc/28/33/45/1306283345.db2.gz LKPUQKZCORILKY-UHFFFAOYSA-N 0 3 337.370 3.343 20 10 EGCDHN C[N@H+](Cc1ccccc1[O-])Cc1ccc(Cl)cc1-n1cncn1 ZINC000792789313 1309231769 /nfs/dbraw/zinc/23/17/69/1309231769.db2.gz XZMOQXAHIJFHGF-UHFFFAOYSA-N 0 3 328.803 3.258 20 10 EGCDHN C[N@@H+](Cc1ccccc1[O-])Cc1ccc(Cl)cc1-n1cncn1 ZINC000792789313 1309231773 /nfs/dbraw/zinc/23/17/73/1309231773.db2.gz XZMOQXAHIJFHGF-UHFFFAOYSA-N 0 3 328.803 3.258 20 10 EGCDHN COc1ccc(CNCc2cc(OC)cc3c2O[C@H](C)C3)c(O)c1 ZINC000793387314 1309361794 /nfs/dbraw/zinc/36/17/94/1309361794.db2.gz CWVNYEMOPSGKNI-GFCCVEGCSA-N 0 3 329.396 3.023 20 10 EGCDHN COc1ccc(C[NH2+]Cc2cc(OC)cc3c2O[C@H](C)C3)c([O-])c1 ZINC000793387314 1309361805 /nfs/dbraw/zinc/36/18/05/1309361805.db2.gz CWVNYEMOPSGKNI-GFCCVEGCSA-N 0 3 329.396 3.023 20 10 EGCDHN COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000793608062 1309416006 /nfs/dbraw/zinc/41/60/06/1309416006.db2.gz GYTIIWFRUPRELK-CXAGYDPISA-N 0 3 331.387 3.041 20 10 EGCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000896984856 1310120296 /nfs/dbraw/zinc/12/02/96/1310120296.db2.gz OGWMNJJGERGMNB-OAHLLOKOSA-N 0 3 334.460 3.437 20 10 EGCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000896984856 1310120298 /nfs/dbraw/zinc/12/02/98/1310120298.db2.gz OGWMNJJGERGMNB-OAHLLOKOSA-N 0 3 334.460 3.437 20 10 EGCDHN COc1cc(Br)cc(CN2CC[C@@H](OC)C[C@H]2C)c1O ZINC000799738187 1310609184 /nfs/dbraw/zinc/60/91/84/1310609184.db2.gz SZWYSXGQGIZUEJ-ZWNOBZJWSA-N 0 3 344.249 3.163 20 10 EGCDHN CCN(CC)c1ccc(CNCc2ccc(CCO)cc2)cc1F ZINC000898172668 1310612119 /nfs/dbraw/zinc/61/21/19/1310612119.db2.gz UPSFLKQHJJKFLG-UHFFFAOYSA-N 0 3 330.447 3.497 20 10 EGCDHN COc1cccc([O-])c1C[NH2+][C@H](C)CCCNC(=O)OC(C)(C)C ZINC000824501474 1320262530 /nfs/dbraw/zinc/26/25/30/1320262530.db2.gz LVIUJDIBJTWBPL-CYBMUJFWSA-N 0 3 338.448 3.184 20 10 EGCDHN CC[C@](C)(NCC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000839541110 1320935032 /nfs/dbraw/zinc/93/50/32/1320935032.db2.gz RPUVCWKCNKORCR-NRFANRHFSA-N 0 3 339.483 3.284 20 10 EGCDHN CN(C)c1cc(F)c(CNC[C@H](c2cccs2)N(C)C)cc1F ZINC000858087091 1328678535 /nfs/dbraw/zinc/67/85/35/1328678535.db2.gz JGHVOGZWOOTSGT-MRXNPFEDSA-N 0 3 339.455 3.485 20 10 EGCDHN Clc1ccc2c(n1)CC[C@@H]2NCc1ccc(N2CCOCC2)cc1 ZINC000806132951 1317463449 /nfs/dbraw/zinc/46/34/49/1317463449.db2.gz DJCDYVJNXYXNMC-KRWDZBQOSA-N 0 3 343.858 3.349 20 10 EGCDHN C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1N)c1cc(Br)ccc1[O-] ZINC000902439678 1317579183 /nfs/dbraw/zinc/57/91/83/1317579183.db2.gz UHQRMSYORUPKDI-IGGJQXEISA-N 0 3 347.256 3.430 20 10 EGCDHN CNC(=O)[C@H](CCSC)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000808437271 1317677483 /nfs/dbraw/zinc/67/74/83/1317677483.db2.gz KLQMNZBWUDANFR-KRWDZBQOSA-N 0 3 344.480 3.017 20 10 EGCDHN CCN(CC)c1ccc(CN[C@H]2COc3ccccc3[C@H]2O)cc1 ZINC000808454844 1317679774 /nfs/dbraw/zinc/67/97/74/1317679774.db2.gz UCOGDADMZLWCTD-AZUAARDMSA-N 0 3 326.440 3.117 20 10 EGCDHN C[C@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccccc1[O-] ZINC000903448314 1317702412 /nfs/dbraw/zinc/70/24/12/1317702412.db2.gz MYDDFCGPHTXZHO-HNAYVOBHSA-N 0 3 327.472 3.412 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)c1[O-] ZINC000808706919 1317719564 /nfs/dbraw/zinc/71/95/64/1317719564.db2.gz BEUIQQHKTPEVPW-UBHSHLNASA-N 0 3 345.892 3.360 20 10 EGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CCCC2)c1[O-] ZINC000808717136 1317722527 /nfs/dbraw/zinc/72/25/27/1317722527.db2.gz ABXFDWRGMMYNMQ-GFCCVEGCSA-N 0 3 345.892 3.362 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+][C@@H](CO)C2CCCC2)c1[O-] ZINC000811518696 1318193759 /nfs/dbraw/zinc/19/37/59/1318193759.db2.gz OVYQHNDRMUICHK-AWEZNQCLSA-N 0 3 328.250 3.104 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+][C@@H](C)c2cc[nH]c(=O)c2)c1[O-] ZINC000816639587 1319198072 /nfs/dbraw/zinc/19/80/72/1319198072.db2.gz XPQGUEKNYKTJDV-JTQLQIEISA-N 0 3 337.217 3.415 20 10 EGCDHN C[C@H]1C[C@@H](CO)CN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000817413136 1319352770 /nfs/dbraw/zinc/35/27/70/1319352770.db2.gz UQBSFCQUVLDYRO-QWHCGFSZSA-N 0 3 330.394 3.222 20 10 EGCDHN COC[C@]1(C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])CCCN1 ZINC000817975849 1319484288 /nfs/dbraw/zinc/48/42/88/1319484288.db2.gz YHXUBPNYJJLOMQ-ZUZCIYMTSA-N 0 3 333.259 3.118 20 10 EGCDHN COc1ccc(N2CC[C@H](CNCc3nc4c(s3)CCC4)C2)cc1 ZINC000818220716 1319521357 /nfs/dbraw/zinc/52/13/57/1319521357.db2.gz JEHNEZWZPSMZEN-CQSZACIVSA-N 0 3 343.496 3.257 20 10 EGCDHN CC[C@H](CO)NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000916570797 1319676198 /nfs/dbraw/zinc/67/61/98/1319676198.db2.gz VTBQSRXHNLUHAB-CQSZACIVSA-N 0 3 326.400 3.401 20 10 EGCDHN CCOc1cccc(CNCC(=O)Nc2ccc(C)cc2Cl)c1O ZINC000822490533 1320087836 /nfs/dbraw/zinc/08/78/36/1320087836.db2.gz WEOJJECQKIVOBA-UHFFFAOYSA-N 0 3 348.830 3.481 20 10 EGCDHN C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000823855605 1320212111 /nfs/dbraw/zinc/21/21/11/1320212111.db2.gz YXZXRUYRHCXMJW-WQVCFCJDSA-N 0 3 340.920 3.351 20 10 EGCDHN CCOc1ccc(C[NH2+][C@H]2CCO[C@@H](c3ccncc3)C2)c([O-])c1 ZINC000824947835 1320298416 /nfs/dbraw/zinc/29/84/16/1320298416.db2.gz MEKGUNNFEBUYAK-QFBILLFUSA-N 0 3 328.412 3.196 20 10 EGCDHN COc1ccc(N2CCC(N[C@@H]3C[C@@H](C)n4ccnc43)CC2)cc1 ZINC000825016721 1320304126 /nfs/dbraw/zinc/30/41/26/1320304126.db2.gz GXHCEHGEADZBMW-RDTXWAMCSA-N 0 3 326.444 3.156 20 10 EGCDHN CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2[O-])[C@H]1n1cccn1 ZINC000825118173 1320312847 /nfs/dbraw/zinc/31/28/47/1320312847.db2.gz PZWBWROLQFCFJD-USXIJHARSA-N 0 3 333.407 3.015 20 10 EGCDHN [O-]c1cc(Br)ccc1C[NH2+]C1CCN(C2CCC2)CC1 ZINC000825144209 1320314726 /nfs/dbraw/zinc/31/47/26/1320314726.db2.gz MCEURZJUXKVGQP-UHFFFAOYSA-N 0 3 339.277 3.261 20 10 EGCDHN CC(C)OCCOC1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000825207436 1320317868 /nfs/dbraw/zinc/31/78/68/1320317868.db2.gz JYAVGJUHAQSJLI-UHFFFAOYSA-N 0 3 338.467 3.298 20 10 EGCDHN C[C@@H]1C[C@H](O)C[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000825316833 1320327840 /nfs/dbraw/zinc/32/78/40/1320327840.db2.gz VMSBRPDLEWKKFD-QAPCUYQASA-N 0 3 327.424 3.174 20 10 EGCDHN C[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000825316833 1320327843 /nfs/dbraw/zinc/32/78/43/1320327843.db2.gz VMSBRPDLEWKKFD-QAPCUYQASA-N 0 3 327.424 3.174 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+][C@H]2COc3cc(F)ccc3C2)c1[O-] ZINC000827261152 1320438944 /nfs/dbraw/zinc/43/89/44/1320438944.db2.gz VWJOMQXVGASCHK-CQSZACIVSA-N 0 3 337.778 3.287 20 10 EGCDHN CCN(CC)c1ccc(CNC(=O)[C@H]2CNCc3ccccc32)cc1 ZINC000827341059 1320446436 /nfs/dbraw/zinc/44/64/36/1320446436.db2.gz RTCKWIQXJGZRJQ-FQEVSTJZSA-N 0 3 337.467 3.036 20 10 EGCDHN COc1ccc(N2CCCN(Cc3ccc4c(n3)CCC4)CC2)cc1 ZINC000838803487 1320819443 /nfs/dbraw/zinc/81/94/43/1320819443.db2.gz PIJUBMWBEHFRSF-UHFFFAOYSA-N 0 3 337.467 3.291 20 10 EGCDHN COc1ccc(O)c([C@@H](C)N[C@H](C)C(=O)N(C)c2ccccc2)c1 ZINC000839540308 1320934834 /nfs/dbraw/zinc/93/48/34/1320934834.db2.gz SKGRGBIRJZDQEE-ZIAGYGMSSA-N 0 3 328.412 3.103 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H]2C[C@H](C)O[C@H]2C)c1[O-] ZINC000840962868 1321188341 /nfs/dbraw/zinc/18/83/41/1321188341.db2.gz GWIVGCFIJHOXMN-SRVKXCTJSA-N 0 3 328.250 3.366 20 10 EGCDHN COc1cccc([O-])c1C[N@H+](C)CCCN(C)C(=O)OC(C)(C)C ZINC000840972006 1321190727 /nfs/dbraw/zinc/19/07/27/1321190727.db2.gz DRYKJNXSAPIING-UHFFFAOYSA-N 0 3 338.448 3.090 20 10 EGCDHN COc1cccc([O-])c1C[N@@H+](C)CCCN(C)C(=O)OC(C)(C)C ZINC000840972006 1321190729 /nfs/dbraw/zinc/19/07/29/1321190729.db2.gz DRYKJNXSAPIING-UHFFFAOYSA-N 0 3 338.448 3.090 20 10 EGCDHN COc1cc(Br)cc(C[NH2+]C(C)(C)COC(C)C)c1[O-] ZINC000840974127 1321191682 /nfs/dbraw/zinc/19/16/82/1321191682.db2.gz XJKQJDIDNZXWMB-UHFFFAOYSA-N 0 3 346.265 3.457 20 10 EGCDHN COC(=O)c1occc1CN[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840977902 1321193202 /nfs/dbraw/zinc/19/32/02/1321193202.db2.gz XSLDDVISZJGOKM-CQSZACIVSA-N 0 3 330.428 3.161 20 10 EGCDHN COc1cccc([O-])c1C[NH2+][C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000843416686 1321514377 /nfs/dbraw/zinc/51/43/77/1321514377.db2.gz KNYGJCZJDCWVJP-CHWSQXEVSA-N 0 3 338.448 3.182 20 10 EGCDHN CCn1cc(CN(Cc2ccc(N3CCOCC3)cc2)C(C)C)cn1 ZINC000846056756 1321764931 /nfs/dbraw/zinc/76/49/31/1321764931.db2.gz ZKQHUTPIVKOHDO-UHFFFAOYSA-N 0 3 342.487 3.150 20 10 EGCDHN OC1CCN(c2ccc(CNCc3scnc3C3CC3)cc2)CC1 ZINC000850406384 1322240070 /nfs/dbraw/zinc/24/00/70/1322240070.db2.gz FGRSFWLYEVTJJP-UHFFFAOYSA-N 0 3 343.496 3.271 20 10 EGCDHN Cc1cc(CNCc2ccc(N3CCC(O)CC3)cc2)ccc1F ZINC000850406199 1322241036 /nfs/dbraw/zinc/24/10/36/1322241036.db2.gz WXCDRNNURSXZOW-UHFFFAOYSA-N 0 3 328.431 3.385 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCc2cccnc2N2CCCC2)c1 ZINC000850500078 1322257939 /nfs/dbraw/zinc/25/79/39/1322257939.db2.gz CODYJEYOHHKQCE-AWEZNQCLSA-N 0 3 327.428 3.247 20 10 EGCDHN c1nn(C2CCC2)cc1CNCc1ccc(N2CCSCC2)cc1 ZINC000921549529 1322349372 /nfs/dbraw/zinc/34/93/72/1322349372.db2.gz BBFFNBFEWGCFLM-UHFFFAOYSA-N 0 3 342.512 3.451 20 10 EGCDHN C[C@@H]1CC[C@H](C)N1CC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000854514422 1325270730 /nfs/dbraw/zinc/27/07/30/1325270730.db2.gz BLSOJNNEGKDKEI-GASCZTMLSA-N 0 3 349.438 3.208 20 10 EGCDHN COCCc1ncc(CNCc2ccc3c(c2)CCCN3C)s1 ZINC000865437184 1329697265 /nfs/dbraw/zinc/69/72/65/1329697265.db2.gz BWJBWUVDSAMENB-UHFFFAOYSA-N 0 3 331.485 3.004 20 10 EGCDHN CC(C)=CCN1CCC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001028340213 1340577839 /nfs/dbraw/zinc/57/78/39/1340577839.db2.gz LPBWZHNXNSHNCS-MRXNPFEDSA-N 0 3 343.431 3.009 20 10 EGCDHN CN1CCN(c2ccc(CN3CCCc4occc4C3)cc2F)CC1 ZINC001323819512 1387467652 /nfs/dbraw/zinc/46/76/52/1387467652.db2.gz BLWPJKLQOLILEG-UHFFFAOYSA-N 0 3 343.446 3.119 20 10 EGCDHN CCc1nn(C)c(OC)c1CN[C@@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001323832641 1387468577 /nfs/dbraw/zinc/46/85/77/1387468577.db2.gz ZFDIVTGIIHNWQJ-IUODEOHRSA-N 0 3 329.444 3.343 20 10 EGCDHN CCc1nn(C)c(OC)c1CN[C@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001323832647 1387468724 /nfs/dbraw/zinc/46/87/24/1387468724.db2.gz ZFDIVTGIIHNWQJ-WFASDCNBSA-N 0 3 329.444 3.343 20 10 EGCDHN CC(C)[N@H+](C)[C@@H]1CCN(Cc2cc(Br)ccc2[O-])C1 ZINC001203649776 1370200678 /nfs/dbraw/zinc/20/06/78/1370200678.db2.gz GFCKCVWBWPNYJY-CQSZACIVSA-N 0 3 327.266 3.069 20 10 EGCDHN CC(C)[N@@H+](C)[C@@H]1CCN(Cc2cc(Br)ccc2[O-])C1 ZINC001203649776 1370200680 /nfs/dbraw/zinc/20/06/80/1370200680.db2.gz GFCKCVWBWPNYJY-CQSZACIVSA-N 0 3 327.266 3.069 20 10 EGCDHN CC(C)(C)OC(=O)N1CC[C@]12CCC[N@H+](Cc1ccccc1[O-])C2 ZINC001203550083 1370165899 /nfs/dbraw/zinc/16/58/99/1370165899.db2.gz HCXMZAVYFZZGBV-IBGZPJMESA-N 0 3 332.444 3.368 20 10 EGCDHN CC(C)(C)OC(=O)N1CC[C@]12CCC[N@@H+](Cc1ccccc1[O-])C2 ZINC001203550083 1370165903 /nfs/dbraw/zinc/16/59/03/1370165903.db2.gz HCXMZAVYFZZGBV-IBGZPJMESA-N 0 3 332.444 3.368 20 10 EGCDHN COc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OCC2CC2)c([O-])c1 ZINC001203623138 1370191049 /nfs/dbraw/zinc/19/10/49/1370191049.db2.gz JOQSWYZAPCWIMK-MOXGXCLJSA-N 0 3 331.456 3.428 20 10 EGCDHN COc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OCC2CC2)c([O-])c1 ZINC001203623138 1370191051 /nfs/dbraw/zinc/19/10/51/1370191051.db2.gz JOQSWYZAPCWIMK-MOXGXCLJSA-N 0 3 331.456 3.428 20 10 EGCDHN COc1ccc(O)c(CN2CCC(O)(c3ccccc3F)CC2)c1 ZINC001203674791 1370212497 /nfs/dbraw/zinc/21/24/97/1370212497.db2.gz BTGVHAONAKAUBB-UHFFFAOYSA-N 0 3 331.387 3.024 20 10 EGCDHN COc1ccc(O[C@@H]2CCCN(Cc3ccc(N(C)C)cc3)C2)nc1 ZINC001203935295 1370321629 /nfs/dbraw/zinc/32/16/29/1370321629.db2.gz BRWPYRLDJYCWKF-LJQANCHMSA-N 0 3 341.455 3.200 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC[C@H](Oc3cnccn3)C2)cc1 ZINC001203945413 1370325306 /nfs/dbraw/zinc/32/53/06/1370325306.db2.gz LPKUBAWTAPNMEK-IBGZPJMESA-N 0 3 340.471 3.366 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC[C@@H](Oc3cnccn3)C2)cc1 ZINC001203945414 1370325335 /nfs/dbraw/zinc/32/53/35/1370325335.db2.gz LPKUBAWTAPNMEK-LJQANCHMSA-N 0 3 340.471 3.366 20 10 EGCDHN [O-]c1cc(O)ccc1C[NH+]1CCC(OCc2ccc(F)cc2)CC1 ZINC001204274696 1370429233 /nfs/dbraw/zinc/42/92/33/1370429233.db2.gz GONNXUHLAZCXTD-UHFFFAOYSA-N 0 3 331.387 3.418 20 10 EGCDHN COC(=O)c1cccc([C@H]2CCC[N@@H+]2Cc2ccc(O)cc2[O-])c1 ZINC001204282012 1370430936 /nfs/dbraw/zinc/43/09/36/1370430936.db2.gz MJKYKSAYWNSPFA-QGZVFWFLSA-N 0 3 327.380 3.222 20 10 EGCDHN COC(=O)c1cccc([C@H]2CCC[N@H+]2Cc2ccc(O)cc2[O-])c1 ZINC001204282012 1370430937 /nfs/dbraw/zinc/43/09/37/1370430937.db2.gz MJKYKSAYWNSPFA-QGZVFWFLSA-N 0 3 327.380 3.222 20 10 EGCDHN COc1ccccc1[C@H](O)C[N@H+](Cc1ccc(O)cc1[O-])C(C)C ZINC001204280724 1370431153 /nfs/dbraw/zinc/43/11/53/1370431153.db2.gz NUXXYYFXQBIMGB-GOSISDBHSA-N 0 3 331.412 3.050 20 10 EGCDHN COc1ccccc1[C@H](O)C[N@@H+](Cc1ccc(O)cc1[O-])C(C)C ZINC001204280724 1370431156 /nfs/dbraw/zinc/43/11/56/1370431156.db2.gz NUXXYYFXQBIMGB-GOSISDBHSA-N 0 3 331.412 3.050 20 10 EGCDHN Cc1cc(Br)c([O-])c(CN2CCCC[C@H](C[NH3+])C2)c1 ZINC001206641495 1371116002 /nfs/dbraw/zinc/11/60/02/1371116002.db2.gz YENKPXWQCFCPTE-GFCCVEGCSA-N 0 3 327.266 3.024 20 10 EGCDHN CC(C)(C)OC(=O)N1CCC(C[N@@H+]2CCc3cccc([O-])c3C2)CC1 ZINC001207194596 1371326862 /nfs/dbraw/zinc/32/68/62/1371326862.db2.gz KWRHIVCSVSZZAC-UHFFFAOYSA-N 0 3 346.471 3.397 20 10 EGCDHN CC(C)(C)OC(=O)N1CCC(C[N@H+]2CCc3cccc([O-])c3C2)CC1 ZINC001207194596 1371326867 /nfs/dbraw/zinc/32/68/67/1371326867.db2.gz KWRHIVCSVSZZAC-UHFFFAOYSA-N 0 3 346.471 3.397 20 10 EGCDHN CC(C)(C)OC(=O)N1CC[C@@H](C[N@@H+]2CCc3cccc([O-])c3C2)C1 ZINC001207216767 1371331621 /nfs/dbraw/zinc/33/16/21/1371331621.db2.gz UDGBLQPZJSYKBT-AWEZNQCLSA-N 0 3 332.444 3.007 20 10 EGCDHN CC(C)(C)OC(=O)N1CC[C@@H](C[N@H+]2CCc3cccc([O-])c3C2)C1 ZINC001207216767 1371331627 /nfs/dbraw/zinc/33/16/27/1371331627.db2.gz UDGBLQPZJSYKBT-AWEZNQCLSA-N 0 3 332.444 3.007 20 10 EGCDHN CCOc1ccc(N2CCN(CCCc3cccnc3)CC2)cc1 ZINC001209186427 1372030806 /nfs/dbraw/zinc/03/08/06/1372030806.db2.gz VFGPDIWELJCUCL-UHFFFAOYSA-N 0 3 325.456 3.235 20 10 EGCDHN Cc1ccc(C)n1-c1ccc(CN2CCC[C@H]2C(=O)N(C)C)cc1 ZINC001209519670 1372126914 /nfs/dbraw/zinc/12/69/14/1372126914.db2.gz DMGJSPONPZPDOW-IBGZPJMESA-N 0 3 325.456 3.147 20 10 EGCDHN Cc1ccc(C)n1-c1ccc(CN2CCC(=O)N3CCC[C@H]3C2)cc1 ZINC001209520291 1372127772 /nfs/dbraw/zinc/12/77/72/1372127772.db2.gz URZMUIDJCNNPHL-FQEVSTJZSA-N 0 3 337.467 3.291 20 10 EGCDHN Cc1cc([O-])c(CN2CC[NH2+][C@@H](Cc3ccccc3)C2)cc1Cl ZINC001210357932 1372331300 /nfs/dbraw/zinc/33/13/00/1372331300.db2.gz YJZDKMKYUIIAKZ-KRWDZBQOSA-N 0 3 330.859 3.371 20 10 EGCDHN Cc1cc(CN2CCC3(CCC[NH2+]3)CC2)c([O-])cc1Br ZINC001228555709 1375597269 /nfs/dbraw/zinc/59/72/69/1375597269.db2.gz IHXLHLVDLUVZEI-UHFFFAOYSA-N 0 3 339.277 3.181 20 10 EGCDHN CN1CCC([N@H+](C)Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC001231466286 1376246703 /nfs/dbraw/zinc/24/67/03/1376246703.db2.gz PVFXVXJSQAADKZ-UHFFFAOYSA-N 0 3 340.467 3.497 20 10 EGCDHN CN1CCC([N@@H+](C)Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC001231466286 1376246714 /nfs/dbraw/zinc/24/67/14/1376246714.db2.gz PVFXVXJSQAADKZ-UHFFFAOYSA-N 0 3 340.467 3.497 20 10 EGCDHN COc1cc(CN2CCC(Oc3cccc(F)c3)CC2)c(O)cc1O ZINC001231636707 1376288418 /nfs/dbraw/zinc/28/84/18/1376288418.db2.gz UJNXNTFSJKYKPY-UHFFFAOYSA-N 0 3 347.386 3.289 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+](C)CCc2noc(C(C)C)n2)c1[O-] ZINC001233287694 1376604293 /nfs/dbraw/zinc/60/42/93/1376604293.db2.gz CSBWZOUIBKGELJ-UHFFFAOYSA-N 0 3 339.823 3.235 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+](C)CCc2noc(C(C)C)n2)c1[O-] ZINC001233287694 1376604298 /nfs/dbraw/zinc/60/42/98/1376604298.db2.gz CSBWZOUIBKGELJ-UHFFFAOYSA-N 0 3 339.823 3.235 20 10 EGCDHN COc1cc(Cl)cc(C[NH+]2CCC3(C[C@H]3CCO)CC2)c1[O-] ZINC001233287747 1376604587 /nfs/dbraw/zinc/60/45/87/1376604587.db2.gz GILCTJCRSUGYRQ-CYBMUJFWSA-N 0 3 325.836 3.039 20 10 EGCDHN CC(C)(C)c1ccc(O)c(CN2CC3CC2(C(=O)N2CCCC2)C3)c1 ZINC001233285869 1376604864 /nfs/dbraw/zinc/60/48/64/1376604864.db2.gz VWDUZHVDBJIZML-UHFFFAOYSA-N 0 3 342.483 3.277 20 10 EGCDHN CCOC(=O)[C@H]1CCCC[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC001233290065 1376605590 /nfs/dbraw/zinc/60/55/90/1376605590.db2.gz GJUPOWSRFLTJOA-LBPRGKRZSA-N 0 3 341.835 3.219 20 10 EGCDHN CCOC(=O)[C@H]1CCCC[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC001233290065 1376605593 /nfs/dbraw/zinc/60/55/93/1376605593.db2.gz GJUPOWSRFLTJOA-LBPRGKRZSA-N 0 3 341.835 3.219 20 10 EGCDHN CCOC(=O)[C@H]1CCCN(Cc2cc(Cl)cc(OC)c2O)[C@@H]1C ZINC001233290369 1376606166 /nfs/dbraw/zinc/60/61/66/1376606166.db2.gz ZEYDBPZEIIDCMF-RISCZKNCSA-N 0 3 341.835 3.218 20 10 EGCDHN [O-]c1c(C[NH+]2CCC3(CCOC3)CC2)cccc1OC(F)(F)F ZINC001233726768 1376703974 /nfs/dbraw/zinc/70/39/74/1376703974.db2.gz HJDOMCFUWSHLMP-UHFFFAOYSA-N 0 3 331.334 3.293 20 10 EGCDHN C[C@@]1(O)CCCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237054031 1376972473 /nfs/dbraw/zinc/97/24/73/1376972473.db2.gz SXYSLLFCBANKIS-OAHLLOKOSA-N 0 3 333.350 3.070 20 10 EGCDHN C[C@@]1(O)CCCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237054031 1376972474 /nfs/dbraw/zinc/97/24/74/1376972474.db2.gz SXYSLLFCBANKIS-OAHLLOKOSA-N 0 3 333.350 3.070 20 10 EGCDHN CC(C)O[C@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237057810 1376974576 /nfs/dbraw/zinc/97/45/76/1376974576.db2.gz FRQOOFNGUJKDSN-AWEZNQCLSA-N 0 3 333.350 3.333 20 10 EGCDHN CC(C)O[C@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237057810 1376974583 /nfs/dbraw/zinc/97/45/83/1376974583.db2.gz FRQOOFNGUJKDSN-AWEZNQCLSA-N 0 3 333.350 3.333 20 10 EGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CCC[C@@]2(CCO2)C1 ZINC001237057772 1376975171 /nfs/dbraw/zinc/97/51/71/1376975171.db2.gz DTMIEDIWPSERGR-OAHLLOKOSA-N 0 3 331.334 3.088 20 10 EGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CCC[C@@]2(CCO2)C1 ZINC001237057772 1376975174 /nfs/dbraw/zinc/97/51/74/1376975174.db2.gz DTMIEDIWPSERGR-OAHLLOKOSA-N 0 3 331.334 3.088 20 10 EGCDHN Cc1cc(CN2CCC3(CC(=O)CO3)CC2)c(C)n1-c1ccccc1 ZINC001137856026 1377631557 /nfs/dbraw/zinc/63/15/57/1377631557.db2.gz NKNVJDAJXRVSRE-UHFFFAOYSA-N 0 3 338.451 3.418 20 10 EGCDHN [O-]c1c(F)cccc1C[NH+]1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC001138127799 1377681718 /nfs/dbraw/zinc/68/17/18/1377681718.db2.gz QPETWVGGRPDCDQ-QZTJIDSGSA-N 0 3 326.415 3.095 20 10 EGCDHN COC(=O)c1cccc(CN(C)Cc2ccc3c(c2)CCCN3C)c1 ZINC001138356297 1377708486 /nfs/dbraw/zinc/70/84/86/1377708486.db2.gz JWFRPXZVPCOVDE-UHFFFAOYSA-N 0 3 338.451 3.488 20 10 EGCDHN CN1CCCc2cc(CN3CCCC[C@](O)(C(F)(F)F)C3)ccc21 ZINC001138354810 1377708742 /nfs/dbraw/zinc/70/87/42/1377708742.db2.gz VUTXMZQYOUYKKR-QGZVFWFLSA-N 0 3 342.405 3.348 20 10 EGCDHN CCN(CC)c1ccc(CN2CCN(CC3CC3)CC2)c(OC)c1 ZINC001138388741 1377714091 /nfs/dbraw/zinc/71/40/91/1377714091.db2.gz CHGSQFJRZRFPER-UHFFFAOYSA-N 0 3 331.504 3.069 20 10 EGCDHN Cc1ccnc(O[C@H]2CCCN(Cc3ccc(N(C)C)c(C)c3)C2)n1 ZINC001139674038 1377931423 /nfs/dbraw/zinc/93/14/23/1377931423.db2.gz LMDOGFWDSRRNNG-SFHVURJKSA-N 0 3 340.471 3.203 20 10 EGCDHN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN(Cc2cc(F)ccc2O)C1 ZINC001140058746 1377997999 /nfs/dbraw/zinc/99/79/99/1377997999.db2.gz KQCNJHOBCDBLSW-DOMZBBRYSA-N 0 3 338.423 3.266 20 10 EGCDHN CC(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)ccc1[O-] ZINC001273284356 1378094796 /nfs/dbraw/zinc/09/47/96/1378094796.db2.gz GPYGDEJXMXVPJN-LJQANCHMSA-N 0 3 334.435 3.144 20 10 EGCDHN CC(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(F)ccc1[O-] ZINC001273284356 1378094798 /nfs/dbraw/zinc/09/47/98/1378094798.db2.gz GPYGDEJXMXVPJN-LJQANCHMSA-N 0 3 334.435 3.144 20 10 EGCDHN CC[C@@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001273284714 1378094830 /nfs/dbraw/zinc/09/48/30/1378094830.db2.gz KNTWJKWIROJQMF-CZUORRHYSA-N 0 3 334.435 3.048 20 10 EGCDHN COc1ccc(N2CCN(Cc3cnc4cc[nH]cc3-4)CC2)c(C)c1 ZINC001140805448 1378143210 /nfs/dbraw/zinc/14/32/10/1378143210.db2.gz FZFQTSDDZXIOJZ-UHFFFAOYSA-N 0 3 336.439 3.202 20 10 EGCDHN COc1ccc(N2CCN(Cc3c[nH]c4ccncc34)CC2)c(C)c1 ZINC001140805448 1378143211 /nfs/dbraw/zinc/14/32/11/1378143211.db2.gz FZFQTSDDZXIOJZ-UHFFFAOYSA-N 0 3 336.439 3.202 20 10 EGCDHN CC(=O)N1CCC2(C1)CCN(Cc1ccc(N(C)C)cc1Cl)CC2 ZINC001140922427 1378182196 /nfs/dbraw/zinc/18/21/96/1378182196.db2.gz QNYBUHHYDHRBDU-UHFFFAOYSA-N 0 3 349.906 3.240 20 10 EGCDHN CCC[C@@H](COC)[N@H+](CCC(=O)OCC)Cc1ccc(C)cc1[O-] ZINC001140958375 1378193177 /nfs/dbraw/zinc/19/31/77/1378193177.db2.gz ZUYYATUJORNOBF-KRWDZBQOSA-N 0 3 337.460 3.271 20 10 EGCDHN CCC[C@@H](COC)[N@@H+](CCC(=O)OCC)Cc1ccc(C)cc1[O-] ZINC001140958375 1378193180 /nfs/dbraw/zinc/19/31/80/1378193180.db2.gz ZUYYATUJORNOBF-KRWDZBQOSA-N 0 3 337.460 3.271 20 10 EGCDHN CCC[N@H+](CCc1ccccn1)Cc1c([O-])cc(OC)cc1OC ZINC001141029194 1378213072 /nfs/dbraw/zinc/21/30/72/1378213072.db2.gz LQQMJICRSHGAHZ-UHFFFAOYSA-N 0 3 330.428 3.259 20 10 EGCDHN CCC[N@@H+](CCc1ccccn1)Cc1c([O-])cc(OC)cc1OC ZINC001141029194 1378213081 /nfs/dbraw/zinc/21/30/81/1378213081.db2.gz LQQMJICRSHGAHZ-UHFFFAOYSA-N 0 3 330.428 3.259 20 10 EGCDHN COc1cc(O)c(CN2CCC(Oc3ccccc3)CC2)c(OC)c1 ZINC001141032100 1378214786 /nfs/dbraw/zinc/21/47/86/1378214786.db2.gz SCFZLHRUCLZSEB-UHFFFAOYSA-N 0 3 343.423 3.453 20 10 EGCDHN COC[C@H](C)N(Cc1cccc(OC)c1)Cc1cc(O)ccc1O ZINC001141161524 1378254271 /nfs/dbraw/zinc/25/42/71/1378254271.db2.gz TYJGJGZYTZYCIK-AWEZNQCLSA-N 0 3 331.412 3.144 20 10 EGCDHN Oc1ccc(O)c(CN2CCN([C@@H]3CCCc4ccccc43)CC2)c1 ZINC001141161842 1378254372 /nfs/dbraw/zinc/25/43/72/1378254372.db2.gz ZZAUVKMCCCZXEG-HXUWFJFHSA-N 0 3 338.451 3.293 20 10 EGCDHN COC(=O)[C@@H]1CCN(Cc2cc(O)ccc2O)[C@H](c2ccccc2)C1 ZINC001141162318 1378254422 /nfs/dbraw/zinc/25/44/22/1378254422.db2.gz PBGPYWLGFPEQQR-QAPCUYQASA-N 0 3 341.407 3.224 20 10 EGCDHN COc1ccc(N2CCN(Cc3cccc4n[nH]cc43)CC2)c(C)c1 ZINC001143099673 1378540067 /nfs/dbraw/zinc/54/00/67/1378540067.db2.gz TXPLDYNGLTZTJB-UHFFFAOYSA-N 0 3 336.439 3.202 20 10 EGCDHN CCOC(=O)C(=Cc1cc(C)c(C)nc1N[C@H]1CCN(C)C1)N=[N+]=[N-] ZINC001167269952 1383581024 /nfs/dbraw/zinc/58/10/24/1383581024.db2.gz FQOVMMPFIRZIRZ-BUYRESAOSA-N 0 3 344.419 3.029 20 10 EGCDHN Cc1cc2cc(NCc3ccc(N4CCN(C)CC4)cc3)ncc2[nH]1 ZINC001167426239 1383631317 /nfs/dbraw/zinc/63/13/17/1383631317.db2.gz CTBOTRAAACEZCM-UHFFFAOYSA-N 0 3 335.455 3.235 20 10 EGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)c1[O-] ZINC001329511448 1389136658 /nfs/dbraw/zinc/13/66/58/1389136658.db2.gz FSYFIMVZAJCQCB-TZMCWYRMSA-N 0 3 334.851 3.017 20 10 EGCDHN CCN(CC)[C@H](CNC(=O)NCc1ccc(N)cc1)c1ccsc1 ZINC001337015938 1389237120 /nfs/dbraw/zinc/23/71/20/1389237120.db2.gz MSWRLOSPORUDIK-QGZVFWFLSA-N 0 3 346.500 3.213 20 10 EGCDHN COC(=O)CC(C)(C)[N@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC001337239381 1389283816 /nfs/dbraw/zinc/28/38/16/1389283816.db2.gz OOWQAGKRZFDSFO-UHFFFAOYSA-N 0 3 344.249 3.237 20 10 EGCDHN COC(=O)CC(C)(C)[N@@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC001337239381 1389283818 /nfs/dbraw/zinc/28/38/18/1389283818.db2.gz OOWQAGKRZFDSFO-UHFFFAOYSA-N 0 3 344.249 3.237 20 10 EGCDHN CN(C)c1cc(F)c(CNCC[C@](C)(O)c2ccccc2)cc1F ZINC001351327546 1391627741 /nfs/dbraw/zinc/62/77/41/1391627741.db2.gz BRIRCHCSNPSCEU-IBGZPJMESA-N 0 3 334.410 3.418 20 10 EGCDHN COc1ccc(CNC/C=C/CNC(=O)[C@@H](C)C2CCC2)cc1C ZINC001754135257 1440543745 /nfs/dbraw/zinc/54/37/45/1440543745.db2.gz JPFBINGMXCJPSO-APHBUQMISA-N 0 3 330.472 3.202 20 10 EGCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000779076629 1126109383 /nfs/dbraw/zinc/10/93/83/1126109383.db2.gz DBEGUQAVGRNBQA-GOEBONIOSA-N 0 3 343.320 3.155 20 10 EGCDHN Cc1cc([O-])c(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)cc1C ZINC000022003138 453685646 /nfs/dbraw/zinc/68/56/46/453685646.db2.gz DLCMRSDAYBMMKH-UHFFFAOYSA-N 0 3 338.451 3.403 20 10 EGCDHN [O-]c1ccccc1C[N@H+](CCCOCC(F)(F)F)C[C@H]1CCCO1 ZINC000077284173 454085751 /nfs/dbraw/zinc/08/57/51/454085751.db2.gz UCVACIIGFPKMNV-OAHLLOKOSA-N 0 3 347.377 3.342 20 10 EGCDHN [O-]c1ccccc1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1CCCO1 ZINC000077284173 454085756 /nfs/dbraw/zinc/08/57/56/454085756.db2.gz UCVACIIGFPKMNV-OAHLLOKOSA-N 0 3 347.377 3.342 20 10 EGCDHN Cc1ccc([O-])c(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c1 ZINC000091949564 454493060 /nfs/dbraw/zinc/49/30/60/454493060.db2.gz PAAVOVDRFOFBOG-MRXNPFEDSA-N 0 3 330.472 3.171 20 10 EGCDHN Cc1ccccc1[C@@H](C)NCC(=O)NCc1ccc(N(C)C)cc1 ZINC000102683885 454516720 /nfs/dbraw/zinc/51/67/20/454516720.db2.gz XXFYGXAIAIDWQJ-MRXNPFEDSA-N 0 3 325.456 3.028 20 10 EGCDHN C[C@H](NCc1ccc(Cn2cncn2)cc1)c1ccc(N(C)C)cc1 ZINC000177772785 454902411 /nfs/dbraw/zinc/90/24/11/454902411.db2.gz NJMSSLDNJZNOOJ-INIZCTEOSA-N 0 3 335.455 3.243 20 10 EGCDHN COCC[C@@H](C)[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000167909234 454924570 /nfs/dbraw/zinc/92/45/70/454924570.db2.gz ROADZGUBEOZEPU-CZUORRHYSA-N 0 3 326.868 3.025 20 10 EGCDHN c1cc(N2CCCCC2)ccc1CN1CCC(C2OCCO2)CC1 ZINC000130051226 455139889 /nfs/dbraw/zinc/13/98/89/455139889.db2.gz GXGDJGMSXBZUMX-UHFFFAOYSA-N 0 3 330.472 3.262 20 10 EGCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)c1ccccc1Br ZINC000157249839 455176423 /nfs/dbraw/zinc/17/64/23/455176423.db2.gz NOTDJXONJXPRMD-MRXNPFEDSA-N 0 3 336.229 3.320 20 10 EGCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)c1ccccc1Br ZINC000157249839 455176424 /nfs/dbraw/zinc/17/64/24/455176424.db2.gz NOTDJXONJXPRMD-MRXNPFEDSA-N 0 3 336.229 3.320 20 10 EGCDHN CN(C)C(=O)CC1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000180557893 455196424 /nfs/dbraw/zinc/19/64/24/455196424.db2.gz OPCZMPFELPCMFD-UHFFFAOYSA-N 0 3 326.440 3.236 20 10 EGCDHN C[C@@H]([NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccccc1[O-] ZINC000183446080 455294048 /nfs/dbraw/zinc/29/40/48/455294048.db2.gz WXOCVBGHQOLNHX-AUUYWEPGSA-N 0 3 340.423 3.361 20 10 EGCDHN C[C@H]([NH2+]C[C@](O)(c1ccccc1)C(F)(F)F)c1ccccc1[O-] ZINC000183487067 455298957 /nfs/dbraw/zinc/29/89/57/455298957.db2.gz DFDIIFWSZXQMBE-LRDDRELGSA-N 0 3 325.330 3.493 20 10 EGCDHN Cc1cncc([C@@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000184295045 455369309 /nfs/dbraw/zinc/36/93/09/455369309.db2.gz JKGYDMOSQVOWTR-QGZVFWFLSA-N 0 3 339.483 3.450 20 10 EGCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COCc1cccs1 ZINC000174372065 455383347 /nfs/dbraw/zinc/38/33/47/455383347.db2.gz KOTORLMJJYGDGO-MRXNPFEDSA-N 0 3 335.469 3.243 20 10 EGCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)COCc1cccs1 ZINC000174372065 455383351 /nfs/dbraw/zinc/38/33/51/455383351.db2.gz KOTORLMJJYGDGO-MRXNPFEDSA-N 0 3 335.469 3.243 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1[O-] ZINC000184707606 455433151 /nfs/dbraw/zinc/43/31/51/455433151.db2.gz FNLFWHDMAGDJMN-UHFFFAOYSA-N 0 3 336.775 3.295 20 10 EGCDHN COc1cc(O)c(CN2CCC[C@H]2c2cccc(C)n2)cc1OC ZINC000160435181 455458034 /nfs/dbraw/zinc/45/80/34/455458034.db2.gz HXYQDAQYRNPFPM-INIZCTEOSA-N 0 3 328.412 3.450 20 10 EGCDHN C[C@@H]([NH2+]C[C@H](c1ccccc1)N1CCOCC1)c1cc(F)ccc1[O-] ZINC000184919466 455472541 /nfs/dbraw/zinc/47/25/41/455472541.db2.gz WTZLODSIRSJDJU-DNVCBOLYSA-N 0 3 344.430 3.255 20 10 EGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCCS(=O)(=O)Cc2ccccc2)c1 ZINC000185086674 455498568 /nfs/dbraw/zinc/49/85/68/455498568.db2.gz ZLMFLCNLHNJIIT-MRXNPFEDSA-N 0 3 347.480 3.356 20 10 EGCDHN COCCN1CCC([NH2+][C@@H](C)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000185145059 455509807 /nfs/dbraw/zinc/50/98/07/455509807.db2.gz VQJPFZMSEPUIES-HNNXBMFYSA-N 0 3 332.488 3.032 20 10 EGCDHN C[C@@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1cc(F)ccc1[O-] ZINC000185167097 455515248 /nfs/dbraw/zinc/51/52/48/455515248.db2.gz XAQFRUWYMSWQKB-CYBMUJFWSA-N 0 3 337.416 3.046 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C2CCN(C(=O)CC(C)C)CC2)c1 ZINC000185215049 455522260 /nfs/dbraw/zinc/52/22/60/455522260.db2.gz BSYJLOPROCKRBR-AWEZNQCLSA-N 0 3 334.460 3.089 20 10 EGCDHN C[C@H]([NH2+][C@H](CO)Cc1c[nH]c2ccccc12)c1cc(F)ccc1[O-] ZINC000185464924 455562138 /nfs/dbraw/zinc/56/21/38/455562138.db2.gz JCWOVQAOJUIJLA-WFASDCNBSA-N 0 3 328.387 3.267 20 10 EGCDHN CCc1nn(C)c(OC)c1CN[C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185866862 455637916 /nfs/dbraw/zinc/63/79/16/455637916.db2.gz AHWFTHSZHNHRES-ZDUSSCGKSA-N 0 3 343.471 3.426 20 10 EGCDHN C[C@H]([NH2+]CCCNC(=O)c1ccc(F)cc1)c1cc(F)ccc1[O-] ZINC000186013904 455674755 /nfs/dbraw/zinc/67/47/55/455674755.db2.gz FDEDBPXXOVADPF-LBPRGKRZSA-N 0 3 334.366 3.141 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccccc3F)C2=O)c([O-])c1 ZINC000186022787 455677859 /nfs/dbraw/zinc/67/78/59/455677859.db2.gz VMBBLBCDEJLPCV-BBRMVZONSA-N 0 3 328.387 3.296 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](c2ccco2)N2CCCC2)c1 ZINC000192916371 455717179 /nfs/dbraw/zinc/71/71/79/455717179.db2.gz UHZSKMUYDDXARC-RHSMWYFYSA-N 0 3 330.428 3.482 20 10 EGCDHN COC(=O)COc1ccc([C@@H](C)NCc2ccc(N(C)C)cc2)cc1 ZINC000193559157 455764904 /nfs/dbraw/zinc/76/49/04/455764904.db2.gz GYFVIOYZNPEDFE-OAHLLOKOSA-N 0 3 342.439 3.155 20 10 EGCDHN Cc1cc(CN2CCC[C@@H]([C@H](O)C(F)(F)F)C2)ccc1N(C)C ZINC000294024927 455803017 /nfs/dbraw/zinc/80/30/17/455803017.db2.gz HREDDSVTAQJTGX-ZBFHGGJFSA-N 0 3 330.394 3.196 20 10 EGCDHN COC[C@@H](O)CC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000294789936 455827923 /nfs/dbraw/zinc/82/79/23/455827923.db2.gz OFLDTFORBRXWNC-PKOBYXMFSA-N 0 3 329.440 3.053 20 10 EGCDHN C[C@H](CCCO)C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000294863233 455830112 /nfs/dbraw/zinc/83/01/12/455830112.db2.gz UAJLRKWVKUKNFS-MRXNPFEDSA-N 0 3 329.440 3.469 20 10 EGCDHN CC[C@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)c1ccc(OC)c(OC)c1 ZINC000285360410 455830348 /nfs/dbraw/zinc/83/03/48/455830348.db2.gz BMDXANOTRDSIPS-AWEZNQCLSA-N 0 3 345.395 3.379 20 10 EGCDHN CCOc1cccc(C[NH2+]C[C@@H](CC)NC(=O)OC(C)(C)C)c1[O-] ZINC000295107810 455838965 /nfs/dbraw/zinc/83/89/65/455838965.db2.gz UMXKTOVYDKWPQD-CQSZACIVSA-N 0 3 338.448 3.184 20 10 EGCDHN C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000295125133 455840363 /nfs/dbraw/zinc/84/03/63/455840363.db2.gz NWWUMPIQOZJVGJ-LBPRGKRZSA-N 0 3 326.412 3.314 20 10 EGCDHN CC[C@@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1ccc(C)cc1[O-] ZINC000285532034 455865051 /nfs/dbraw/zinc/86/50/51/455865051.db2.gz COQLPDGKERBTEF-OAHLLOKOSA-N 0 3 325.474 3.099 20 10 EGCDHN COc1ccc([O-])c(C[NH+]2CCC(c3ncc4n3CCCC4)CC2)c1 ZINC000279483681 455865342 /nfs/dbraw/zinc/86/53/42/455865342.db2.gz UDYYGOFXHALDBI-UHFFFAOYSA-N 0 3 341.455 3.313 20 10 EGCDHN CCC[C@@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)[C@@H](O)c1ccccc1 ZINC000279661889 455870292 /nfs/dbraw/zinc/87/02/92/455870292.db2.gz MAAQWJDTUINIAQ-BEFAXECRSA-N 0 3 329.396 3.113 20 10 EGCDHN CC[C@H]([NH2+][C@H](CO)C[C@@H](O)c1ccccc1)c1ccc(C)cc1[O-] ZINC000279925945 455878420 /nfs/dbraw/zinc/87/84/20/455878420.db2.gz AJXSRQNTTBSQQX-YTQUADARSA-N 0 3 329.440 3.226 20 10 EGCDHN COC1CCN(c2ccc(CN3CCOCC34CCCC4)cc2)CC1 ZINC000296202730 455879120 /nfs/dbraw/zinc/87/91/20/455879120.db2.gz FKDQZTVIWFOZCA-UHFFFAOYSA-N 0 3 344.499 3.447 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2C=C[C@H](CO)C2)c1[O-] ZINC000187311016 455893380 /nfs/dbraw/zinc/89/33/80/455893380.db2.gz RXHHKNLNYSOKFT-NTZNESFSSA-N 0 3 326.234 3.051 20 10 EGCDHN CC[C@H]([NH2+]CCNC(=O)c1cccc(OC)c1)c1ccc(C)cc1[O-] ZINC000280186887 455911355 /nfs/dbraw/zinc/91/13/55/455911355.db2.gz RZCVTIWGOIDOCM-SFHVURJKSA-N 0 3 342.439 3.180 20 10 EGCDHN C[C@H]1OCC[C@@]12CN(Cc1ccc(N3CCCCC3)cc1)C[C@@H](C)O2 ZINC000280453210 455975336 /nfs/dbraw/zinc/97/53/36/455975336.db2.gz LMMOZNLFXGVPHY-DBXWQHBBSA-N 0 3 344.499 3.445 20 10 EGCDHN C[C@@H]([NH2+]CCCn1cc(Br)cn1)c1cc(F)ccc1[O-] ZINC000287447199 456069041 /nfs/dbraw/zinc/06/90/41/456069041.db2.gz UTZTXYMAOBLOQP-SNVBAGLBSA-N 0 3 342.212 3.231 20 10 EGCDHN CCOc1ccc(O)c(CN2CCC(C(=O)OC(C)(C)C)CC2)c1 ZINC000271155571 456145588 /nfs/dbraw/zinc/14/55/88/456145588.db2.gz NFCQWEODKQJLJH-UHFFFAOYSA-N 0 3 335.444 3.345 20 10 EGCDHN CC(C)(C)c1cc(CNCCS(C)(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000236742849 456178245 /nfs/dbraw/zinc/17/82/45/456178245.db2.gz YGQJNMUVGBCWJV-UHFFFAOYSA-N 0 3 341.517 3.121 20 10 EGCDHN Cc1ccc(CN2CC[C@H]([NH2+][C@H](C)c3cc(F)ccc3[O-])C2=O)cc1 ZINC000189085375 456221963 /nfs/dbraw/zinc/22/19/63/456221963.db2.gz CFXCXVZTUOLNKB-KDOFPFPSSA-N 0 3 342.414 3.291 20 10 EGCDHN COc1ccc(O)c([C@@H](C)NCc2cc(OC)c(OC)c(OC)c2)c1 ZINC000273427602 456230429 /nfs/dbraw/zinc/23/04/29/456230429.db2.gz URXXHQNBGRWJIA-GFCCVEGCSA-N 0 3 347.411 3.277 20 10 EGCDHN C[C@@H](NC1CC[NH+](C2CCCC2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273567941 456239596 /nfs/dbraw/zinc/23/95/96/456239596.db2.gz JZGBOTGOTLZLGV-CYBMUJFWSA-N 0 3 333.432 3.358 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)[C@@H](O)c2cccc(F)c2)c1[O-] ZINC000273736236 456243937 /nfs/dbraw/zinc/24/39/37/456243937.db2.gz LDXHOBDOCMUEHS-MGPLVRAMSA-N 0 3 339.794 3.405 20 10 EGCDHN COCCOCCC[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000275355937 456272670 /nfs/dbraw/zinc/27/26/70/456272670.db2.gz RTWQAQIAQNDAAJ-LBPRGKRZSA-N 0 3 346.265 3.167 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](O)C(F)(F)F)c1[O-] ZINC000275320134 456273215 /nfs/dbraw/zinc/27/32/15/456273215.db2.gz KUVUTAGUKAUCKK-OIBJUYFYSA-N 0 3 342.155 3.037 20 10 EGCDHN Cn1ccnc1[C@H]1OCC[C@@H]1NCc1ccc(N2CCCCC2)cc1 ZINC000275426102 456274949 /nfs/dbraw/zinc/27/49/49/456274949.db2.gz DXIONXFBFDTXEF-OALUTQOASA-N 0 3 340.471 3.030 20 10 EGCDHN CCCn1ccnc1CCC[N@H+](C)Cc1cccc(OCC)c1[O-] ZINC000290440719 456328677 /nfs/dbraw/zinc/32/86/77/456328677.db2.gz LUWYVMIUONRCCM-UHFFFAOYSA-N 0 3 331.460 3.462 20 10 EGCDHN CCCn1ccnc1CCC[N@@H+](C)Cc1cccc(OCC)c1[O-] ZINC000290440719 456328682 /nfs/dbraw/zinc/32/86/82/456328682.db2.gz LUWYVMIUONRCCM-UHFFFAOYSA-N 0 3 331.460 3.462 20 10 EGCDHN CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3[O-])C[C@H]2C1 ZINC000290980358 456485459 /nfs/dbraw/zinc/48/54/59/456485459.db2.gz UAOYXIYKSGOKPU-HOCLYGCPSA-N 0 3 332.444 3.081 20 10 EGCDHN CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3[O-])C[C@H]2C1 ZINC000290980358 456485462 /nfs/dbraw/zinc/48/54/62/456485462.db2.gz UAOYXIYKSGOKPU-HOCLYGCPSA-N 0 3 332.444 3.081 20 10 EGCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000282488749 456529893 /nfs/dbraw/zinc/52/98/93/456529893.db2.gz PPLOWLGHEZOPHG-CQSZACIVSA-N 0 3 344.377 3.158 20 10 EGCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000282488749 456529900 /nfs/dbraw/zinc/52/99/00/456529900.db2.gz PPLOWLGHEZOPHG-CQSZACIVSA-N 0 3 344.377 3.158 20 10 EGCDHN COc1ccc([O-])c(C[NH+]2CCC3(CC2)OCc2ccccc23)c1 ZINC000378439297 457395633 /nfs/dbraw/zinc/39/56/33/457395633.db2.gz ODWXEVIFASTVFA-UHFFFAOYSA-N 0 3 325.408 3.422 20 10 EGCDHN [O-]c1cc2c(cc1C[NH2+]C[C@@H]1CCCN(c3ccccc3)C1)OCO2 ZINC000366050043 457790219 /nfs/dbraw/zinc/79/02/19/457790219.db2.gz XBZBIRFCNJTURU-HNNXBMFYSA-N 0 3 340.423 3.127 20 10 EGCDHN CC(C)(C)OC(=O)N1CCC2(C[C@H]2[NH2+]Cc2ccccc2[O-])CC1 ZINC000366475481 457819878 /nfs/dbraw/zinc/81/98/78/457819878.db2.gz QBQZBIILGQUPNW-MRXNPFEDSA-N 0 3 332.444 3.271 20 10 EGCDHN CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CCCCN2CC)cc1 ZINC000729304918 574836624 /nfs/dbraw/zinc/83/66/24/574836624.db2.gz COORNZVHJLSBEK-LJQANCHMSA-N 0 3 331.504 3.366 20 10 EGCDHN Cc1ccccc1C[NH+]1CCC(NC(=O)c2cc([O-])cs2)CC1 ZINC000731872208 575214214 /nfs/dbraw/zinc/21/42/14/575214214.db2.gz YLZLEWSOFCCUCP-UHFFFAOYSA-N 0 3 330.453 3.157 20 10 EGCDHN Cc1ccccc1CN1CCC(NC(=O)C2=CC(=O)CS2)CC1 ZINC000731872208 575214217 /nfs/dbraw/zinc/21/42/17/575214217.db2.gz YLZLEWSOFCCUCP-UHFFFAOYSA-N 0 3 330.453 3.157 20 10 EGCDHN CC[C@@H](C)[C@@](C)(O)CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000732821007 575289836 /nfs/dbraw/zinc/28/98/36/575289836.db2.gz SSTCBTQUMHJALY-BEFAXECRSA-N 0 3 349.475 3.472 20 10 EGCDHN CC[C@H](C)[C@@H](O)CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000732820276 575290172 /nfs/dbraw/zinc/29/01/72/575290172.db2.gz GSVPKTLKVUUXNE-KSSFIOAISA-N 0 3 335.448 3.082 20 10 EGCDHN CC[C@@H](C)[C@@H](O)CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000732820275 575290224 /nfs/dbraw/zinc/29/02/24/575290224.db2.gz GSVPKTLKVUUXNE-KDOFPFPSSA-N 0 3 335.448 3.082 20 10 EGCDHN CN(Cc1ccco1)C(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000733613846 575375335 /nfs/dbraw/zinc/37/53/35/575375335.db2.gz NXNIQIZYRSDNGT-UHFFFAOYSA-N 0 3 342.439 3.388 20 10 EGCDHN CN(Cc1ccco1)C(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000733613846 575375336 /nfs/dbraw/zinc/37/53/36/575375336.db2.gz NXNIQIZYRSDNGT-UHFFFAOYSA-N 0 3 342.439 3.388 20 10 EGCDHN [O-]c1ccccc1C[NH2+][C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000734843930 575559524 /nfs/dbraw/zinc/55/95/24/575559524.db2.gz SYLBDVIRCHMASA-GOEBONIOSA-N 0 3 325.330 3.016 20 10 EGCDHN COCCCN(C)CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000742374883 576775517 /nfs/dbraw/zinc/77/55/17/576775517.db2.gz JNDBXWWHFIZWPQ-UHFFFAOYSA-N 0 3 328.456 3.117 20 10 EGCDHN C[N@@H+]1CCC[C@H]2CN(Cc3ccc(Br)cc3[O-])CC[C@@H]21 ZINC000691681814 1298136410 /nfs/dbraw/zinc/13/64/10/1298136410.db2.gz YNKLEKPQSLQXPI-WFASDCNBSA-N 0 3 339.277 3.071 20 10 EGCDHN C[N@H+]1CCC[C@H]2CN(Cc3ccc(Br)cc3[O-])CC[C@@H]21 ZINC000691681814 1298136416 /nfs/dbraw/zinc/13/64/16/1298136416.db2.gz YNKLEKPQSLQXPI-WFASDCNBSA-N 0 3 339.277 3.071 20 10 EGCDHN CCCC[N@H+](Cc1c([O-])ccc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000014261246 1291140245 /nfs/dbraw/zinc/14/02/45/1291140245.db2.gz ZMXOEGCPKHWMOE-INIZCTEOSA-N 0 3 347.480 3.335 20 10 EGCDHN CCCC[N@@H+](Cc1c([O-])ccc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000014261246 1291140247 /nfs/dbraw/zinc/14/02/47/1291140247.db2.gz ZMXOEGCPKHWMOE-INIZCTEOSA-N 0 3 347.480 3.335 20 10 EGCDHN CCCCN(Cc1c(O)ccc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000014261246 1291140250 /nfs/dbraw/zinc/14/02/50/1291140250.db2.gz ZMXOEGCPKHWMOE-INIZCTEOSA-N 0 3 347.480 3.335 20 10 EGCDHN O=C1OCCN1C1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000827747252 1292363792 /nfs/dbraw/zinc/36/37/92/1292363792.db2.gz WYGXWNQUNNXYJF-UHFFFAOYSA-N 0 3 343.471 3.094 20 10 EGCDHN CN(c1ccc(CNC(=O)[C@@H](N)C2CCC2)cc1)C1CCCCC1 ZINC000827821411 1292382042 /nfs/dbraw/zinc/38/20/42/1292382042.db2.gz YHGYZRXEIYXYIB-IBGZPJMESA-N 0 3 329.488 3.199 20 10 EGCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)COCc1ccccc1F ZINC000076074434 1292418819 /nfs/dbraw/zinc/41/88/19/1292418819.db2.gz URPRYCUDJCWFJU-SFHVURJKSA-N 0 3 347.430 3.321 20 10 EGCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)COCc1ccccc1F ZINC000076074434 1292418823 /nfs/dbraw/zinc/41/88/23/1292418823.db2.gz URPRYCUDJCWFJU-SFHVURJKSA-N 0 3 347.430 3.321 20 10 EGCDHN COc1ccc(CN[C@@H](CN2CCOCC2)c2ccccc2)cc1C ZINC000078302733 1292505528 /nfs/dbraw/zinc/50/55/28/1292505528.db2.gz KNMMHLAKTNXHEM-FQEVSTJZSA-N 0 3 340.467 3.167 20 10 EGCDHN CCOC[C@@H]1CCN(Cc2cc(Br)cc(OC)c2O)C1 ZINC000093838722 1292933573 /nfs/dbraw/zinc/93/35/73/1292933573.db2.gz HUBILJWDWHXUDN-LLVKDONJSA-N 0 3 344.249 3.022 20 10 EGCDHN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)CCN1CCCC1 ZINC000103116442 1292995256 /nfs/dbraw/zinc/99/52/56/1292995256.db2.gz TUCBRABNTZEVNM-UHFFFAOYSA-N 0 3 331.485 3.323 20 10 EGCDHN COC(=O)c1cc(C[N@H+](C)Cc2c([O-])ccc3ccncc32)oc1C ZINC000835186672 1293228744 /nfs/dbraw/zinc/22/87/44/1293228744.db2.gz HEAQGZUPYGQZBG-UHFFFAOYSA-N 0 3 340.379 3.260 20 10 EGCDHN COC(=O)c1cc(C[N@@H+](C)Cc2c([O-])ccc3ccncc32)oc1C ZINC000835186672 1293228748 /nfs/dbraw/zinc/22/87/48/1293228748.db2.gz HEAQGZUPYGQZBG-UHFFFAOYSA-N 0 3 340.379 3.260 20 10 EGCDHN CC[C@@H]([NH2+]CCNC(=O)c1ccc(C)c(F)c1)c1ccccc1[O-] ZINC000155076009 1294083196 /nfs/dbraw/zinc/08/31/96/1294083196.db2.gz NJWWEOJROFDNJJ-QGZVFWFLSA-N 0 3 330.403 3.310 20 10 EGCDHN Cc1nc(N2CCN(Cc3cc(C)cc(C)c3O)CC2)sc1C ZINC000164607413 1294351439 /nfs/dbraw/zinc/35/14/39/1294351439.db2.gz UTHHCSIDIIECKO-UHFFFAOYSA-N 0 3 331.485 3.405 20 10 EGCDHN Cc1ccc(CN(C)C)cc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181161702 1294943555 /nfs/dbraw/zinc/94/35/55/1294943555.db2.gz ITNHZAAQEGJZGI-VQHVLOKHSA-N 0 3 326.396 3.120 20 10 EGCDHN COc1ccc(O)c([C@@H](C)NCC(=O)NCCC2=CCCCC2)c1 ZINC000182426442 1295046094 /nfs/dbraw/zinc/04/60/94/1295046094.db2.gz VGFZPWCCSMBCES-CQSZACIVSA-N 0 3 332.444 3.058 20 10 EGCDHN C[C@H](C[NH2+][C@H](C)c1ccccc1[O-])N1CCN(c2ccccc2)CC1 ZINC000183417541 1295117642 /nfs/dbraw/zinc/11/76/42/1295117642.db2.gz PLOZKFQOHCOOGE-QZTJIDSGSA-N 0 3 339.483 3.254 20 10 EGCDHN Cc1cc(C)c(O)c(CN2CCN(c3nccc(C(C)C)n3)CC2)c1 ZINC000184937975 1295228819 /nfs/dbraw/zinc/22/88/19/1295228819.db2.gz AWFSKDPPINHWMF-UHFFFAOYSA-N 0 3 340.471 3.245 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]CCNC(=O)c2ccc(C)c(F)c2)c([O-])c1 ZINC000184981841 1295233735 /nfs/dbraw/zinc/23/37/35/1295233735.db2.gz MECMITNDHIDNAI-AWEZNQCLSA-N 0 3 330.403 3.229 20 10 EGCDHN CC(C)(C)OC(=O)N1CC=C(C[NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000190072632 1295559863 /nfs/dbraw/zinc/55/98/63/1295559863.db2.gz DFXOTJWUABNKGS-UHFFFAOYSA-N 0 3 336.407 3.188 20 10 EGCDHN CCN(C)c1ccc([C@H](C)N[C@H](C)C(=O)NCc2ccccc2)cc1 ZINC000247112260 1296383289 /nfs/dbraw/zinc/38/32/89/1296383289.db2.gz TXDVDVQDDBFATI-DLBZAZTESA-N 0 3 339.483 3.498 20 10 EGCDHN CCCOc1ccc(CNCc2ccc(-n3cncn3)nc2)cc1C ZINC000873014099 1297223661 /nfs/dbraw/zinc/22/36/61/1297223661.db2.gz KZUMAYZJPUBKBN-UHFFFAOYSA-N 0 3 337.427 3.049 20 10 EGCDHN CC[C@@H]([NH2+]CCCn1cc(Br)cn1)c1ccccc1[O-] ZINC000380259345 1297544164 /nfs/dbraw/zinc/54/41/64/1297544164.db2.gz PIZACDKZXCMMLA-CQSZACIVSA-N 0 3 338.249 3.482 20 10 EGCDHN CCOc1cccc(CNCC(=O)Nc2ccc(Cl)cc2)c1O ZINC000725849623 1298375163 /nfs/dbraw/zinc/37/51/63/1298375163.db2.gz OBTLMWHBQOZLCH-UHFFFAOYSA-N 0 3 334.803 3.173 20 10 EGCDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000746172101 1298548655 /nfs/dbraw/zinc/54/86/55/1298548655.db2.gz GDMVTGXBMUWUAJ-IAGOWNOFSA-N 0 3 329.488 3.166 20 10 EGCDHN CO[C@@H](CN(Cc1ccco1)Cc1ccccc1O)C1CCOCC1 ZINC000876510366 1298797350 /nfs/dbraw/zinc/79/73/50/1298797350.db2.gz MGJNXXOAGFSARE-FQEVSTJZSA-N 0 3 345.439 3.429 20 10 EGCDHN CO[C@@H](C[N@H+](Cc1ccco1)Cc1ccccc1[O-])C1CCOCC1 ZINC000876510366 1298797359 /nfs/dbraw/zinc/79/73/59/1298797359.db2.gz MGJNXXOAGFSARE-FQEVSTJZSA-N 0 3 345.439 3.429 20 10 EGCDHN CO[C@@H](C[N@@H+](Cc1ccco1)Cc1ccccc1[O-])C1CCOCC1 ZINC000876510366 1298797371 /nfs/dbraw/zinc/79/73/71/1298797371.db2.gz MGJNXXOAGFSARE-FQEVSTJZSA-N 0 3 345.439 3.429 20 10 EGCDHN Nc1c(Cl)cccc1CNCc1ccc(N2CCOCC2)cc1 ZINC000876963854 1299089967 /nfs/dbraw/zinc/08/99/67/1299089967.db2.gz ISUFCKPVWFSKLV-UHFFFAOYSA-N 0 3 331.847 3.049 20 10 EGCDHN COc1cccc(C)c1CNCc1ccc(N2CCOCC2)cc1 ZINC000876963554 1299090636 /nfs/dbraw/zinc/09/06/36/1299090636.db2.gz DSGWFJSUBNSQNK-UHFFFAOYSA-N 0 3 326.440 3.130 20 10 EGCDHN Cc1ccc(C(=O)N2CCC([NH2+]Cc3ccc(C)cc3[O-])CC2)cc1 ZINC000877005513 1299109833 /nfs/dbraw/zinc/10/98/33/1299109833.db2.gz SEWWQGXAZRIHQI-UHFFFAOYSA-N 0 3 338.451 3.403 20 10 EGCDHN CN(C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)c1ccc(N)cc1 ZINC000877077413 1299147831 /nfs/dbraw/zinc/14/78/31/1299147831.db2.gz HCPKZDIVUXAEDU-MRXNPFEDSA-N 0 3 341.430 3.283 20 10 EGCDHN Cc1ccc(C[NH2+]C2CCN([C@@H](C)c3ccncc3)CC2)c([O-])c1 ZINC000877115958 1299162544 /nfs/dbraw/zinc/16/25/44/1299162544.db2.gz XWIMOJLQAXFAJS-INIZCTEOSA-N 0 3 325.456 3.411 20 10 EGCDHN COc1ccc(N2CC[C@H](CNCc3nc4ccccc4o3)C2)cc1 ZINC000877598001 1299423224 /nfs/dbraw/zinc/42/32/24/1299423224.db2.gz FWDDIDRLHMFYNF-OAHLLOKOSA-N 0 3 337.423 3.453 20 10 EGCDHN COc1ccc(N2CCCN(CCCOC(F)(F)F)CC2)cc1 ZINC000877984276 1299687102 /nfs/dbraw/zinc/68/71/02/1299687102.db2.gz FKNSVXLWSZOPHR-UHFFFAOYSA-N 0 3 332.366 3.134 20 10 EGCDHN Cc1ccc([C@@H](C)NCC(=O)N(C)Cc2ccc(N(C)C)cc2)s1 ZINC000754660483 1300185566 /nfs/dbraw/zinc/18/55/66/1300185566.db2.gz VANSVJIRHMELDZ-OAHLLOKOSA-N 0 3 345.512 3.432 20 10 EGCDHN C[C@H]1C[C@@H]([NH2+]C2CCN(C(=O)C3CC3)CC2)c2c1c(F)ccc2[O-] ZINC000756402829 1300484409 /nfs/dbraw/zinc/48/44/09/1300484409.db2.gz ZAPFVGVPWFIFKW-XHDPSFHLSA-N 0 3 332.419 3.070 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccccc2)c2c1c(F)ccc2[O-] ZINC000756398659 1300484707 /nfs/dbraw/zinc/48/47/07/1300484707.db2.gz XNKFEBCRRSPJQF-WWGRRREGSA-N 0 3 331.387 3.109 20 10 EGCDHN C[C@H]1C[C@@H]([NH2+]CC(=O)N(C)Cc2ccccc2)c2c1c(F)ccc2[O-] ZINC000756432669 1300489869 /nfs/dbraw/zinc/48/98/69/1300489869.db2.gz LBVBIDGMJRTHNB-XJKSGUPXSA-N 0 3 342.414 3.328 20 10 EGCDHN Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000756458929 1300497562 /nfs/dbraw/zinc/49/75/62/1300497562.db2.gz LOCODJKLTLMXSY-GOEBONIOSA-N 0 3 333.403 3.239 20 10 EGCDHN COc1cccc(N2CC[C@H]([NH2+][C@H](C)c3cc(F)ccc3[O-])C2)c1 ZINC000756538694 1300517847 /nfs/dbraw/zinc/51/78/47/1300517847.db2.gz FABPPKXGVZXCCI-HIFRSBDPSA-N 0 3 330.403 3.469 20 10 EGCDHN COc1cccc([C@H](O)C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)c1 ZINC000756564272 1300523046 /nfs/dbraw/zinc/52/30/46/1300523046.db2.gz RSGRLCZZJCGILA-XQAQDONZSA-N 0 3 331.387 3.411 20 10 EGCDHN C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)c1cc(Br)ccc1[O-] ZINC000756609966 1300531486 /nfs/dbraw/zinc/53/14/86/1300531486.db2.gz GRGBTDPVZHKHOR-GMXVVIOVSA-N 0 3 327.266 3.288 20 10 EGCDHN C[C@@H]([NH2+][C@H](CCO)C1CCOCC1)c1cc2c(cc1[O-])CCCC2 ZINC000763559565 1301924036 /nfs/dbraw/zinc/92/40/36/1301924036.db2.gz UGAZMEUJPSLABE-AUUYWEPGSA-N 0 3 333.472 3.099 20 10 EGCDHN C[C@@H](N[C@H]1CCCN(C)C1=O)c1ccc(N2CCCCCC2)cc1 ZINC000766435851 1302451916 /nfs/dbraw/zinc/45/19/16/1302451916.db2.gz AQTRTDRWEYRMJM-APWZRJJASA-N 0 3 329.488 3.338 20 10 EGCDHN CC[N@H+](Cc1ccc(Cl)cc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768439980 1302901024 /nfs/dbraw/zinc/90/10/24/1302901024.db2.gz MNOKVRKXBIBUKJ-KRWDZBQOSA-N 0 3 333.815 3.494 20 10 EGCDHN CC[N@@H+](Cc1ccc(Cl)cc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768439980 1302901029 /nfs/dbraw/zinc/90/10/29/1302901029.db2.gz MNOKVRKXBIBUKJ-KRWDZBQOSA-N 0 3 333.815 3.494 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1Cc1ccccc1)[C@H](O)CO2 ZINC000768442438 1302903177 /nfs/dbraw/zinc/90/31/77/1302903177.db2.gz WBINOIYJAFWCSY-VQIMIIECSA-N 0 3 325.408 3.025 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1Cc1ccccc1)[C@H](O)CO2 ZINC000768442438 1302903185 /nfs/dbraw/zinc/90/31/85/1302903185.db2.gz WBINOIYJAFWCSY-VQIMIIECSA-N 0 3 325.408 3.025 20 10 EGCDHN C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768447895 1302905793 /nfs/dbraw/zinc/90/57/93/1302905793.db2.gz RGIOVUAWEDQXIN-MUKKUYKPSA-N 0 3 325.408 3.196 20 10 EGCDHN C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768447895 1302905798 /nfs/dbraw/zinc/90/57/98/1302905798.db2.gz RGIOVUAWEDQXIN-MUKKUYKPSA-N 0 3 325.408 3.196 20 10 EGCDHN CCOc1ccc(O)c(CN2CCC([C@@](C)(O)C(F)(F)F)CC2)c1 ZINC000768532726 1302927341 /nfs/dbraw/zinc/92/73/41/1302927341.db2.gz ORQMFKFGXNJSLG-MRXNPFEDSA-N 0 3 347.377 3.316 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](c3c(F)cccc3F)C1)[C@H](O)CO2 ZINC000768909112 1303010983 /nfs/dbraw/zinc/01/09/83/1303010983.db2.gz GXIRWFOZFLOKKH-PIGZYNQJSA-N 0 3 347.361 3.086 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](c3c(F)cccc3F)C1)[C@H](O)CO2 ZINC000768909112 1303010986 /nfs/dbraw/zinc/01/09/86/1303010986.db2.gz GXIRWFOZFLOKKH-PIGZYNQJSA-N 0 3 347.361 3.086 20 10 EGCDHN [O-]c1ccccc1C[NH2+]C[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000769419240 1303109662 /nfs/dbraw/zinc/10/96/62/1303109662.db2.gz MBKLPHKXZZRHPV-CYBMUJFWSA-N 0 3 339.357 3.352 20 10 EGCDHN CCN(C[C@@H]1CC[N@H+](Cc2c([O-])cccc2OC)C1)CC(F)(F)F ZINC000769517195 1303134915 /nfs/dbraw/zinc/13/49/15/1303134915.db2.gz ZWCFMIDFIAGNEU-ZDUSSCGKSA-N 0 3 346.393 3.107 20 10 EGCDHN CCN(C[C@@H]1CC[N@@H+](Cc2c([O-])cccc2OC)C1)CC(F)(F)F ZINC000769517195 1303134917 /nfs/dbraw/zinc/13/49/17/1303134917.db2.gz ZWCFMIDFIAGNEU-ZDUSSCGKSA-N 0 3 346.393 3.107 20 10 EGCDHN COc1ccccc1NC(=O)[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774481214 1303815291 /nfs/dbraw/zinc/81/52/91/1303815291.db2.gz AHEIEAPKDAPROC-CABCVRRESA-N 0 3 341.455 3.439 20 10 EGCDHN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1cccnc1Cl ZINC000774485216 1303816812 /nfs/dbraw/zinc/81/68/12/1303816812.db2.gz SKGLHNCJBPIEBN-QWHCGFSZSA-N 0 3 346.862 3.479 20 10 EGCDHN COc1ccc(O)c([C@@H](C)N[C@@H](C)C(=O)c2c[nH]c3ncccc23)c1 ZINC000775371154 1303948120 /nfs/dbraw/zinc/94/81/20/1303948120.db2.gz UYXQKYMXQKNLEY-NEPJUHHUSA-N 0 3 339.395 3.199 20 10 EGCDHN CC[C@H](C[C@H](C)CO)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000776217960 1304115915 /nfs/dbraw/zinc/11/59/15/1304115915.db2.gz CSYMZIQHCGAQCI-IINYFYTJSA-N 0 3 330.266 3.350 20 10 EGCDHN COc1ccc(CNCc2ccc(N3CCOCC3)c(F)c2)c(C)c1 ZINC000776253469 1304121409 /nfs/dbraw/zinc/12/14/09/1304121409.db2.gz QNNOEQRLTFKZHF-UHFFFAOYSA-N 0 3 344.430 3.269 20 10 EGCDHN CCCNC(=O)C1([NH2+]Cc2ccc(OCC)cc2[O-])CCCCC1 ZINC000779170018 1304537714 /nfs/dbraw/zinc/53/77/14/1304537714.db2.gz WIGBPHMAQYTFQR-UHFFFAOYSA-N 0 3 334.460 3.110 20 10 EGCDHN C[C@@H](NCc1ccc(N(C)C)cc1)C(=O)N1c2ccccc2C[C@H]1C ZINC000781049320 1304763216 /nfs/dbraw/zinc/76/32/16/1304763216.db2.gz NPTDPOVUTQXPTR-HZPDHXFCSA-N 0 3 337.467 3.209 20 10 EGCDHN CN(C)c1ccc([C@@H](CNC(=O)C2CCC=CCC2)N(C)C)cc1 ZINC000891245900 1304999019 /nfs/dbraw/zinc/99/90/19/1304999019.db2.gz KCYMVGYWSHWOHO-LJQANCHMSA-N 0 3 329.488 3.218 20 10 EGCDHN CN(C)c1ccc([C@@H](CNC(=O)CCCC(F)(F)F)N(C)C)cc1 ZINC000891247625 1304999088 /nfs/dbraw/zinc/99/90/88/1304999088.db2.gz IKTUKZKOLAXUPP-OAHLLOKOSA-N 0 3 345.409 3.204 20 10 EGCDHN CN(C)c1ccc([C@H](CNC(=O)CC2CCSCC2)N(C)C)cc1 ZINC000891253049 1305000681 /nfs/dbraw/zinc/00/06/81/1305000681.db2.gz PRDXNAFSNDPRQS-SFHVURJKSA-N 0 3 349.544 3.005 20 10 EGCDHN COC[C@H]1CN(Cc2cc(-c3ccccc3)ccc2O)C[C@@H](C)O1 ZINC000784666845 1305269740 /nfs/dbraw/zinc/26/97/40/1305269740.db2.gz AUUBZXJQASEWRN-DNVCBOLYSA-N 0 3 327.424 3.295 20 10 EGCDHN COc1ccc(CNCc2ccccc2OC(C)C)c(O)c1OC ZINC000892649688 1305488762 /nfs/dbraw/zinc/48/87/62/1305488762.db2.gz BJAPMWLNYXJUPB-UHFFFAOYSA-N 0 3 331.412 3.486 20 10 EGCDHN COc1ccc(CN[C@H]2CCOc3ccc(F)cc32)c(O)c1OC ZINC000892879932 1305591267 /nfs/dbraw/zinc/59/12/67/1305591267.db2.gz UKXGYVHYNBWEEX-AWEZNQCLSA-N 0 3 333.359 3.162 20 10 EGCDHN CCN(Cc1cc(C(=O)OC)c(C)n1C)Cc1ccc(N(C)C)cc1 ZINC000788842905 1306027215 /nfs/dbraw/zinc/02/72/15/1306027215.db2.gz KEAVAWSLANZUKG-UHFFFAOYSA-N 0 3 343.471 3.208 20 10 EGCDHN CN(C)c1ccc(CNC2COC(C)(C)OC2)c(C(F)(F)F)c1 ZINC000793078282 1309291440 /nfs/dbraw/zinc/29/14/40/1309291440.db2.gz UWUSVQAOCUCUAN-UHFFFAOYSA-N 0 3 332.366 3.013 20 10 EGCDHN COc1cc(Br)cc(CN2CCC[C@@H](CF)C2)c1O ZINC000895545076 1309392776 /nfs/dbraw/zinc/39/27/76/1309392776.db2.gz AQFJOPIUURJBIZ-JTQLQIEISA-N 0 3 332.213 3.345 20 10 EGCDHN Cc1ccc([C@@H]2CC[N@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C2)c(C)c1 ZINC000794660563 1309566490 /nfs/dbraw/zinc/56/64/90/1309566490.db2.gz GQFGKCKVLAGGLJ-FOIQADDNSA-N 0 3 339.435 3.424 20 10 EGCDHN Cc1ccc([C@@H]2CC[N@@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C2)c(C)c1 ZINC000794660563 1309566499 /nfs/dbraw/zinc/56/64/99/1309566499.db2.gz GQFGKCKVLAGGLJ-FOIQADDNSA-N 0 3 339.435 3.424 20 10 EGCDHN CCS(=O)(=O)c1ccc(CN[C@H](C)c2ccc(C)cc2O)s1 ZINC000794827581 1309603941 /nfs/dbraw/zinc/60/39/41/1309603941.db2.gz KZSQKJGRYDBPKK-GFCCVEGCSA-N 0 3 339.482 3.407 20 10 EGCDHN CC[C@H]1CN(C)CCCN1C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000798265982 1310330527 /nfs/dbraw/zinc/33/05/27/1310330527.db2.gz LLDNMECZFFOBRU-KRWDZBQOSA-N 0 3 340.471 3.045 20 10 EGCDHN C[C@@H]([NH2+][C@@H]1CCN[C@H](C)C1)c1cc(Br)cc(F)c1[O-] ZINC000817970842 1319481373 /nfs/dbraw/zinc/48/13/73/1319481373.db2.gz FZRBBJGATWOOQZ-FXPVBKGRSA-N 0 3 331.229 3.085 20 10 EGCDHN C[C@H]1CN(Cc2ccc(Br)cc2[O-])CC[N@@H+](C2CC2)C1 ZINC000826023890 1320379465 /nfs/dbraw/zinc/37/94/65/1320379465.db2.gz JNKHYYHBBINLEL-LBPRGKRZSA-N 0 3 339.277 3.071 20 10 EGCDHN C[C@H]1CN(Cc2ccc(Br)cc2[O-])CC[N@H+](C2CC2)C1 ZINC000826023890 1320379467 /nfs/dbraw/zinc/37/94/67/1320379467.db2.gz JNKHYYHBBINLEL-LBPRGKRZSA-N 0 3 339.277 3.071 20 10 EGCDHN C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1N)c1cc(Br)ccc1[O-] ZINC000902439679 1317579205 /nfs/dbraw/zinc/57/92/05/1317579205.db2.gz UHQRMSYORUPKDI-UDTVLSCZSA-N 0 3 347.256 3.430 20 10 EGCDHN CO[C@@H]1CCOC[C@H]1N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000903299154 1317685447 /nfs/dbraw/zinc/68/54/47/1317685447.db2.gz GMGIMIYTHZJJJK-POZUXBRTSA-N 0 3 336.451 3.271 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)[C@@H](C)N2CCOCC2)c1[O-] ZINC000808690681 1317716311 /nfs/dbraw/zinc/71/63/11/1317716311.db2.gz BMWPOSRCIPBYFF-HZSPNIEDSA-N 0 3 326.868 3.114 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@]2(N(C)C)CCSC2)c1[O-] ZINC000808700477 1317717875 /nfs/dbraw/zinc/71/78/75/1317717875.db2.gz LSVSPVUKLXAVFQ-BLLLJJGKSA-N 0 3 328.909 3.442 20 10 EGCDHN CCOc1ccc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)c([O-])c1 ZINC000810164505 1317966763 /nfs/dbraw/zinc/96/67/63/1317966763.db2.gz DWZMPBKGGFEVRG-QUCCMNQESA-N 0 3 327.424 3.047 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+][C@H]2COc3c(C)cccc3C2)c1[O-] ZINC000811517931 1318193740 /nfs/dbraw/zinc/19/37/40/1318193740.db2.gz DNXASDNVICMCOJ-OAHLLOKOSA-N 0 3 333.815 3.456 20 10 EGCDHN CCC(C)(C)N(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000908460233 1318347920 /nfs/dbraw/zinc/34/79/20/1318347920.db2.gz PVUFGNMRRMDTMK-QGZVFWFLSA-N 0 3 334.508 3.185 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(c3ccccc3F)C2)c([O-])c1 ZINC000812741554 1318447702 /nfs/dbraw/zinc/44/77/02/1318447702.db2.gz VGHLKZALWQHIJP-KBPBESRZSA-N 0 3 328.387 3.296 20 10 EGCDHN CCc1ccc([C@H]2CC[N@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)cc1 ZINC000814224661 1318703049 /nfs/dbraw/zinc/70/30/49/1318703049.db2.gz LGEQPEXGVGRRFN-JXFKEZNVSA-N 0 3 339.435 3.370 20 10 EGCDHN CCc1ccc([C@H]2CC[N@@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)cc1 ZINC000814224661 1318703056 /nfs/dbraw/zinc/70/30/56/1318703056.db2.gz LGEQPEXGVGRRFN-JXFKEZNVSA-N 0 3 339.435 3.370 20 10 EGCDHN Cc1ncccc1CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000858519254 1328786628 /nfs/dbraw/zinc/78/66/28/1328786628.db2.gz XQVGLDOVPWBZCK-AWEZNQCLSA-N 0 3 329.419 3.217 20 10 EGCDHN C[C@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815588048 1319022141 /nfs/dbraw/zinc/02/21/41/1319022141.db2.gz BGSPPHYZSDZWJA-ONGXEEELSA-N 0 3 325.334 3.342 20 10 EGCDHN [O-]c1c(C[N@@H+]2CCCN(C[C@@H]3CCCO3)CC2)ccc2ccccc21 ZINC000816484513 1319163492 /nfs/dbraw/zinc/16/34/92/1319163492.db2.gz FLTSOZAPEDBLAQ-IBGZPJMESA-N 0 3 340.467 3.232 20 10 EGCDHN [O-]c1c(C[N@H+]2CCCN(C[C@@H]3CCCO3)CC2)ccc2ccccc21 ZINC000816484513 1319163495 /nfs/dbraw/zinc/16/34/95/1319163495.db2.gz FLTSOZAPEDBLAQ-IBGZPJMESA-N 0 3 340.467 3.232 20 10 EGCDHN CN(C)c1ccc(CN2CCC[C@@H](CO)CC2)c(C(F)(F)F)c1 ZINC000816666237 1319205104 /nfs/dbraw/zinc/20/51/04/1319205104.db2.gz ISFHWHXYMIUXLV-CYBMUJFWSA-N 0 3 330.394 3.366 20 10 EGCDHN C[C@H]1C[C@H](CO)CN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000817413137 1319353811 /nfs/dbraw/zinc/35/38/11/1319353811.db2.gz UQBSFCQUVLDYRO-STQMWFEESA-N 0 3 330.394 3.222 20 10 EGCDHN CCc1cnc(CNC[C@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000818220631 1319521239 /nfs/dbraw/zinc/52/12/39/1319521239.db2.gz HSLPAWOGUYMBBV-CQSZACIVSA-N 0 3 331.485 3.330 20 10 EGCDHN CC[C@@](C)(C[NH2+]Cc1cc(Br)cc(OC)c1[O-])OC ZINC000824743632 1320281616 /nfs/dbraw/zinc/28/16/16/1320281616.db2.gz JLVWXRJWCZADBD-AWEZNQCLSA-N 0 3 332.238 3.068 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C)c1[O-] ZINC000824844839 1320290751 /nfs/dbraw/zinc/29/07/51/1320290751.db2.gz DORWRKCFTVMDQY-ZBFHGGJFSA-N 0 3 329.868 3.433 20 10 EGCDHN CCOc1cccc(CN(CCO)Cc2cc(OCC)ccc2O)c1 ZINC000825299141 1320325020 /nfs/dbraw/zinc/32/50/20/1320325020.db2.gz DJYLXDDLHWJDKK-UHFFFAOYSA-N 0 3 345.439 3.184 20 10 EGCDHN COC[C@H](C)Oc1ccc(C[NH2+]Cc2ccc(OC)cc2[O-])cc1 ZINC000825753672 1320360306 /nfs/dbraw/zinc/36/03/06/1320360306.db2.gz UBGNUFXFDJWSLW-AWEZNQCLSA-N 0 3 331.412 3.104 20 10 EGCDHN COc1ccc(O)c([C@@H](C)NCc2ccc(Br)cn2)c1 ZINC000839538371 1320933863 /nfs/dbraw/zinc/93/38/63/1320933863.db2.gz BMXHEIBHVWQFAA-SNVBAGLBSA-N 0 3 337.217 3.409 20 10 EGCDHN NC(=O)OC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000840862948 1321164468 /nfs/dbraw/zinc/16/44/68/1321164468.db2.gz CSQSBDRZAGNXOF-CVEARBPZSA-N 0 3 326.396 3.090 20 10 EGCDHN Cc1ccc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nn1 ZINC000840905377 1321174121 /nfs/dbraw/zinc/17/41/21/1321174121.db2.gz QFIPYVVNIFGSKL-HNNXBMFYSA-N 0 3 348.397 3.145 20 10 EGCDHN CCOc1ccc(C[NH2+]C2(CO)C3CC4CC(C3)CC2C4)c([O-])c1 ZINC000840961461 1321187636 /nfs/dbraw/zinc/18/76/36/1321187636.db2.gz BGJZYGARUWPJIH-UHFFFAOYSA-N 0 3 331.456 3.068 20 10 EGCDHN O=C(NC[C@H]1CNCCO1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000841004250 1321197756 /nfs/dbraw/zinc/19/77/56/1321197756.db2.gz DDEMCMBJBBOTDW-QGZVFWFLSA-N 0 3 339.399 3.212 20 10 EGCDHN COc1cc(CN2CCC(OC)(C(F)(F)F)CC2)c(O)cc1C ZINC000841687712 1321296595 /nfs/dbraw/zinc/29/65/95/1321296595.db2.gz UDIKPMDOMNGLSE-UHFFFAOYSA-N 0 3 333.350 3.253 20 10 EGCDHN CCN(Cc1ccc(N(C)C)cc1)Cc1ccccc1C(=O)N(C)C ZINC000841829182 1321320539 /nfs/dbraw/zinc/32/05/39/1321320539.db2.gz FXTYBEDKAVVJTL-UHFFFAOYSA-N 0 3 339.483 3.477 20 10 EGCDHN CCCC(N)=NOCC(=O)c1cc(C)n(-c2ccc(F)cn2)c1C ZINC000842029012 1321337283 /nfs/dbraw/zinc/33/72/83/1321337283.db2.gz VFOUKIXTAXUYNO-UHFFFAOYSA-N 0 3 332.379 3.110 20 10 EGCDHN COc1cccc([C@H](C)NCc2cccnc2OCC(F)F)c1O ZINC000846157613 1321772490 /nfs/dbraw/zinc/77/24/90/1321772490.db2.gz MXHYEQQVLLAEGZ-NSHDSACASA-N 0 3 338.354 3.291 20 10 EGCDHN CCc1cccc(CNc2ccc(N3CCN(C)CC3)cc2)c1O ZINC000848892043 1322031324 /nfs/dbraw/zinc/03/13/24/1322031324.db2.gz JABZLNVYTFORTB-UHFFFAOYSA-N 0 3 325.456 3.319 20 10 EGCDHN Cc1cc(O)c(CN2CCN(CCc3cccs3)CC2)cc1C ZINC000919952525 1322120912 /nfs/dbraw/zinc/12/09/12/1322120912.db2.gz VKFHOMIWGACNOG-UHFFFAOYSA-N 0 3 330.497 3.431 20 10 EGCDHN CN(C)c1ccc(CNCc2ccc(O[C@@H]3CCOC3)cc2)cc1F ZINC000850099463 1322192452 /nfs/dbraw/zinc/19/24/52/1322192452.db2.gz LSGMJZSECOIWOT-GOSISDBHSA-N 0 3 344.430 3.349 20 10 EGCDHN CCOc1cccc(CN[C@H](COC)c2cccc(OC)c2)c1O ZINC000850362369 1322234494 /nfs/dbraw/zinc/23/44/94/1322234494.db2.gz MDVOJVKBVDWKBP-QGZVFWFLSA-N 0 3 331.412 3.277 20 10 EGCDHN CCN(CC)c1ccc(CNC(=O)c2cc3c(s2)CCNC3)cc1 ZINC000852789599 1323241769 /nfs/dbraw/zinc/24/17/69/1323241769.db2.gz HYKKKIPCAHIFCX-UHFFFAOYSA-N 0 3 343.496 3.170 20 10 EGCDHN CN1CCN(c2ccc(CNCc3cccc(F)c3F)cc2)CC1 ZINC000865676117 1329728415 /nfs/dbraw/zinc/72/84/15/1329728415.db2.gz DRODBOFMDCFLIZ-UHFFFAOYSA-N 0 3 331.410 3.006 20 10 EGCDHN C[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])[C@H](O)C(F)(F)F ZINC000865712283 1329731819 /nfs/dbraw/zinc/73/18/19/1329731819.db2.gz YUJMVSWEGSCADJ-ZBEGNZNMSA-N 0 3 325.330 3.461 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@@H](C)[C@@H](O)CC2)c1[O-] ZINC001233107305 1376571040 /nfs/dbraw/zinc/57/10/40/1376571040.db2.gz XEVKLMDYNJNQIJ-YGRLFVJLSA-N 0 3 328.250 3.056 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](C)[C@@H](O)CC2)c1[O-] ZINC001233107305 1376571044 /nfs/dbraw/zinc/57/10/44/1376571044.db2.gz XEVKLMDYNJNQIJ-YGRLFVJLSA-N 0 3 328.250 3.056 20 10 EGCDHN Nc1ccc(N(CCO)C2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC001201475207 1369552491 /nfs/dbraw/zinc/55/24/91/1369552491.db2.gz UWHUIMDZJICENG-RTWAWAEBSA-N 0 3 349.478 3.388 20 10 EGCDHN COc1cccc(CN2CCN(c3nccc4ccccc43)CC2)c1O ZINC001203595561 1370181880 /nfs/dbraw/zinc/18/18/80/1370181880.db2.gz IJQJMNUFRTVCEJ-UHFFFAOYSA-N 0 3 349.434 3.271 20 10 EGCDHN COc1ccc(CN2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)c(O)c1 ZINC001203628873 1370192896 /nfs/dbraw/zinc/19/28/96/1370192896.db2.gz IZDKYZWTORGLNN-GASCZTMLSA-N 0 3 347.418 3.431 20 10 EGCDHN COc1ccc(C[N@@H+]2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)c([O-])c1 ZINC001203628873 1370192899 /nfs/dbraw/zinc/19/28/99/1370192899.db2.gz IZDKYZWTORGLNN-GASCZTMLSA-N 0 3 347.418 3.431 20 10 EGCDHN COc1ccc(C[N@H+]2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)c([O-])c1 ZINC001203628873 1370192900 /nfs/dbraw/zinc/19/29/00/1370192900.db2.gz IZDKYZWTORGLNN-GASCZTMLSA-N 0 3 347.418 3.431 20 10 EGCDHN CC[N@H+](Cc1ccc(OC)cc1[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC001203628869 1370193093 /nfs/dbraw/zinc/19/30/93/1370193093.db2.gz IYYKPBOPGJCNPD-LJQANCHMSA-N 0 3 340.467 3.497 20 10 EGCDHN CC[N@@H+](Cc1ccc(OC)cc1[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC001203628869 1370193095 /nfs/dbraw/zinc/19/30/95/1370193095.db2.gz IYYKPBOPGJCNPD-LJQANCHMSA-N 0 3 340.467 3.497 20 10 EGCDHN CC[N@H+]([C@@H]1CCOC1)C1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC001203664209 1370207468 /nfs/dbraw/zinc/20/74/68/1370207468.db2.gz QYWAINOVVHHMEY-QGZVFWFLSA-N 0 3 338.879 3.121 20 10 EGCDHN CC[N@@H+]([C@@H]1CCOC1)C1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC001203664209 1370207472 /nfs/dbraw/zinc/20/74/72/1370207472.db2.gz QYWAINOVVHHMEY-QGZVFWFLSA-N 0 3 338.879 3.121 20 10 EGCDHN CCCc1noc(C2CCN(Cc3cc(OC)ccc3O)CC2)n1 ZINC001203680160 1370216179 /nfs/dbraw/zinc/21/61/79/1370216179.db2.gz HQGPHAUFBMXHOJ-UHFFFAOYSA-N 0 3 331.416 3.116 20 10 EGCDHN CN(C)c1ccc(CN2CC[C@@]3(CCN3C(=O)OC(C)(C)C)C2)cc1 ZINC001203931872 1370319884 /nfs/dbraw/zinc/31/98/84/1370319884.db2.gz XPXPATDAOBPYAG-HXUWFJFHSA-N 0 3 345.487 3.338 20 10 EGCDHN Oc1ccc(N2CCN(Cc3ccc(N4CCCC4)cc3)CC2)cc1 ZINC001204323905 1370443930 /nfs/dbraw/zinc/44/39/30/1370443930.db2.gz JVOGWKXDJWUPHV-UHFFFAOYSA-N 0 3 337.467 3.315 20 10 EGCDHN c1cnc(OC2CCN(Cc3ccc(N4CCCC4)cc3)CC2)cn1 ZINC001204328633 1370445698 /nfs/dbraw/zinc/44/56/98/1370445698.db2.gz LCZZWPQSSLCPML-UHFFFAOYSA-N 0 3 338.455 3.120 20 10 EGCDHN COc1ccc(CCN2CCN(c3ccc(OC)cc3C)CC2)cc1 ZINC001207478854 1371408019 /nfs/dbraw/zinc/40/80/19/1371408019.db2.gz MXEOOQSPCRGSMN-UHFFFAOYSA-N 0 3 340.467 3.377 20 10 EGCDHN [O-]c1cccc(Br)c1CN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001210215756 1372295654 /nfs/dbraw/zinc/29/56/54/1372295654.db2.gz MSDORABPFILWEY-MRXNPFEDSA-N 0 3 347.256 3.301 20 10 EGCDHN CC(C)C(=O)N[C@@H]1CCCN(Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233286827 1376604618 /nfs/dbraw/zinc/60/46/18/1376604618.db2.gz KFPJUEJNJNIVPI-QGZVFWFLSA-N 0 3 332.488 3.426 20 10 EGCDHN CCc1ncnc2c1CCN(Cc1cc(Cl)cc(OC)c1O)CC2 ZINC001233288967 1376606131 /nfs/dbraw/zinc/60/61/31/1376606131.db2.gz FLIZAPCFPFUHBA-UHFFFAOYSA-N 0 3 347.846 3.007 20 10 EGCDHN CCc1ncnc2c1CC[N@H+](Cc1cc(Cl)cc(OC)c1[O-])CC2 ZINC001233288967 1376606136 /nfs/dbraw/zinc/60/61/36/1376606136.db2.gz FLIZAPCFPFUHBA-UHFFFAOYSA-N 0 3 347.846 3.007 20 10 EGCDHN CCc1ncnc2c1CC[N@@H+](Cc1cc(Cl)cc(OC)c1[O-])CC2 ZINC001233288967 1376606141 /nfs/dbraw/zinc/60/61/41/1376606141.db2.gz FLIZAPCFPFUHBA-UHFFFAOYSA-N 0 3 347.846 3.007 20 10 EGCDHN COc1cc(Cl)cc(CN2CC[C@@H](Oc3ccncc3C)C2)c1O ZINC001233290884 1376606493 /nfs/dbraw/zinc/60/64/93/1376606493.db2.gz BDYMHQYKOJVOOJ-OAHLLOKOSA-N 0 3 348.830 3.411 20 10 EGCDHN [O-]c1c(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)cccc1OC(F)(F)F ZINC001233728216 1376703417 /nfs/dbraw/zinc/70/34/17/1376703417.db2.gz UKWMURMULVKZCN-WCQYABFASA-N 0 3 331.334 3.292 20 10 EGCDHN [O-]c1c(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)cccc1OC(F)(F)F ZINC001233728216 1376703423 /nfs/dbraw/zinc/70/34/23/1376703423.db2.gz UKWMURMULVKZCN-WCQYABFASA-N 0 3 331.334 3.292 20 10 EGCDHN COC(=O)Cc1ccc(C[NH+]2CCC3(CC[C@H](F)C3)CC2)c([O-])c1 ZINC001249207840 1377073082 /nfs/dbraw/zinc/07/30/82/1377073082.db2.gz JTSRUARNJGOFTO-INIZCTEOSA-N 0 3 335.419 3.212 20 10 EGCDHN CCN(CCn1cccn1)Cc1ccc(N(CC)CC)cc1OC ZINC001138388918 1377714051 /nfs/dbraw/zinc/71/40/51/1377714051.db2.gz AOJMICOXRIOYLP-UHFFFAOYSA-N 0 3 330.476 3.260 20 10 EGCDHN COc1ccnc(O[C@H]2CCN(Cc3ccc(N(C)C)c(C)c3)C2)c1 ZINC001139674045 1377931417 /nfs/dbraw/zinc/93/14/17/1377931417.db2.gz LSPILAGWDCGZQO-SFHVURJKSA-N 0 3 341.455 3.118 20 10 EGCDHN CC(C)(C)OC(=O)N[C@H]1CCCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140057634 1377997966 /nfs/dbraw/zinc/99/79/66/1377997966.db2.gz INZDYEMRQQBNHY-HNNXBMFYSA-N 0 3 338.423 3.411 20 10 EGCDHN CC(C)(C)OC(=O)N[C@H]1CCCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140057634 1377997970 /nfs/dbraw/zinc/99/79/70/1377997970.db2.gz INZDYEMRQQBNHY-HNNXBMFYSA-N 0 3 338.423 3.411 20 10 EGCDHN CCCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)ccc1[O-] ZINC001273285256 1378094662 /nfs/dbraw/zinc/09/46/62/1378094662.db2.gz OGIRGXQUPCGEPT-LJQANCHMSA-N 0 3 334.435 3.288 20 10 EGCDHN CCCCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(F)ccc1[O-] ZINC001273285256 1378094666 /nfs/dbraw/zinc/09/46/66/1378094666.db2.gz OGIRGXQUPCGEPT-LJQANCHMSA-N 0 3 334.435 3.288 20 10 EGCDHN CCOC[C@@H]1CN(Cc2cc(C)ccc2O)Cc2cnn(CC)c21 ZINC001140621644 1378100199 /nfs/dbraw/zinc/10/01/99/1378100199.db2.gz NXAOZQFMYGGUGR-KRWDZBQOSA-N 0 3 329.444 3.053 20 10 EGCDHN CCOC[C@H]1CN(Cc2cc(C)ccc2O)Cc2cnn(CC)c21 ZINC001140621645 1378100457 /nfs/dbraw/zinc/10/04/57/1378100457.db2.gz NXAOZQFMYGGUGR-QGZVFWFLSA-N 0 3 329.444 3.053 20 10 EGCDHN COc1cccc([C@H]2CC[N@H+](Cc3c([O-])cc(OC)cc3OC)C2)c1 ZINC001141030571 1378212153 /nfs/dbraw/zinc/21/21/53/1378212153.db2.gz CFMNSNHWUUDKSD-HNNXBMFYSA-N 0 3 343.423 3.408 20 10 EGCDHN COc1cccc([C@H]2CC[N@@H+](Cc3c([O-])cc(OC)cc3OC)C2)c1 ZINC001141030571 1378212159 /nfs/dbraw/zinc/21/21/59/1378212159.db2.gz CFMNSNHWUUDKSD-HNNXBMFYSA-N 0 3 343.423 3.408 20 10 EGCDHN Oc1cc2ccccc2cc1CNc1cccc(N2CCOCC2)n1 ZINC001160206612 1382033650 /nfs/dbraw/zinc/03/36/50/1382033650.db2.gz NFRHHVAXSRFEMI-UHFFFAOYSA-N 0 3 335.407 3.389 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1Cc3ccccc3C3(CCC3)C1)[C@@H](O)CO2 ZINC001322053480 1387040410 /nfs/dbraw/zinc/04/04/10/1387040410.db2.gz ZUZBIXJEPYFNPO-IBGZPJMESA-N 0 3 337.419 3.256 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1Cc3ccccc3C3(CCC3)C1)[C@@H](O)CO2 ZINC001322053480 1387040415 /nfs/dbraw/zinc/04/04/15/1387040415.db2.gz ZUZBIXJEPYFNPO-IBGZPJMESA-N 0 3 337.419 3.256 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)CC2CCOCC2)c2c1c(F)ccc2[O-] ZINC001339286141 1389975002 /nfs/dbraw/zinc/97/50/02/1389975002.db2.gz HZPLEBDTPWABRM-XNRPHZJLSA-N 0 3 337.435 3.094 20 10 EGCDHN Cc1ccc(C(=O)NC2CCN(Cc3ccc(N)cc3)CC2)s1 ZINC001334755088 1390582208 /nfs/dbraw/zinc/58/22/08/1390582208.db2.gz VFSPZEBZBIOARD-UHFFFAOYSA-N 0 3 329.469 3.033 20 10 EGCDHN C[C@@H]1OCC[C@]1(O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC001347669057 1391109108 /nfs/dbraw/zinc/10/91/08/1391109108.db2.gz QHKXBXLYVXAIGE-LRQRDZAKSA-N 0 3 341.451 3.196 20 10 EGCDHN Fc1cc(CN[C@@H]2CCc3ccccc32)ccc1N1CCOCC1 ZINC000066970553 215100127 /nfs/dbraw/zinc/10/01/27/215100127.db2.gz UTHRQDNUVKUVHN-LJQANCHMSA-N 0 3 326.415 3.439 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+](C)[C@@H]2CCN(C)C[C@@H]2C)c1[O-] ZINC000290320615 456291202 /nfs/dbraw/zinc/29/12/02/456291202.db2.gz CYHSZPVKBRXJQL-SWLSCSKDSA-N 0 3 341.293 3.235 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+](C)[C@@H]2CCN(C)C[C@@H]2C)c1[O-] ZINC000290320615 456291208 /nfs/dbraw/zinc/29/12/08/456291208.db2.gz CYHSZPVKBRXJQL-SWLSCSKDSA-N 0 3 341.293 3.235 20 10 EGCDHN C[C@@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cnccn1 ZINC000157724211 455224478 /nfs/dbraw/zinc/22/44/78/455224478.db2.gz XLBIKBBNSGCAQP-CYBMUJFWSA-N 0 3 348.397 3.398 20 10 EGCDHN C[C@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cnccn1 ZINC000157724058 455224936 /nfs/dbraw/zinc/22/49/36/455224936.db2.gz XLBIKBBNSGCAQP-ZDUSSCGKSA-N 0 3 348.397 3.398 20 10 EGCDHN O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000000228692 452541121 /nfs/dbraw/zinc/54/11/21/452541121.db2.gz AXJCBOPJUWUKSZ-DOTOQJQBSA-N 0 3 346.430 3.326 20 10 EGCDHN O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000000228692 452541131 /nfs/dbraw/zinc/54/11/31/452541131.db2.gz AXJCBOPJUWUKSZ-DOTOQJQBSA-N 0 3 346.430 3.326 20 10 EGCDHN CN(C)c1ccc(CNC(=O)c2cccc(CN3CCCC3)c2)cc1 ZINC000049973768 454565866 /nfs/dbraw/zinc/56/58/66/454565866.db2.gz NZISUQUCNVHALX-UHFFFAOYSA-N 0 3 337.467 3.278 20 10 EGCDHN [O-]c1ccc(Br)cc1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093596834 454722407 /nfs/dbraw/zinc/72/24/07/454722407.db2.gz XRGLDLQHMHSBMZ-CYBMUJFWSA-N 0 3 339.277 3.072 20 10 EGCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+]Cc2cncs2)C1 ZINC000136137898 454722965 /nfs/dbraw/zinc/72/29/65/454722965.db2.gz UDEFISPUYWCDPN-AWEZNQCLSA-N 0 3 337.876 3.256 20 10 EGCDHN COCCCOc1cccc(CNCc2cccc(OC)c2O)c1 ZINC000125896998 454853956 /nfs/dbraw/zinc/85/39/56/454853956.db2.gz SRTCGXZDOIHICO-UHFFFAOYSA-N 0 3 331.412 3.106 20 10 EGCDHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccc2c(c1)CCO2 ZINC000154089704 454864972 /nfs/dbraw/zinc/86/49/72/454864972.db2.gz BYYVMHPVPUNFHZ-UHFFFAOYSA-N 0 3 338.451 3.090 20 10 EGCDHN CCc1cc(N2CCC([NH2+][C@H](C)c3ccccc3[O-])CC2)ncn1 ZINC000154220332 454875363 /nfs/dbraw/zinc/87/53/63/454875363.db2.gz LMGFKIRTEPIORW-CQSZACIVSA-N 0 3 326.444 3.064 20 10 EGCDHN CC(C)C(=O)NCCN[C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000178225149 454943460 /nfs/dbraw/zinc/94/34/60/454943460.db2.gz GTEUUUBBSKCIJZ-QGZVFWFLSA-N 0 3 331.504 3.490 20 10 EGCDHN CC[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1ccccc1[O-] ZINC000155235450 454977418 /nfs/dbraw/zinc/97/74/18/454977418.db2.gz SSHLHIAVQCQAJK-QGZVFWFLSA-N 0 3 333.453 3.178 20 10 EGCDHN Cc1cccc(C(=O)N2CCCN(Cc3cc(C)ccc3O)CC2)c1 ZINC000129060331 455096525 /nfs/dbraw/zinc/09/65/25/455096525.db2.gz XDMPAXRZZLLVLQ-UHFFFAOYSA-N 0 3 338.451 3.357 20 10 EGCDHN CC[N@H+](C)C[C@@H]1CCN(Cc2cc(Br)cc(C)c2[O-])C1 ZINC000180549944 455194354 /nfs/dbraw/zinc/19/43/54/455194354.db2.gz FKWCHRUQILPNEK-ZDUSSCGKSA-N 0 3 341.293 3.237 20 10 EGCDHN CC[N@@H+](C)C[C@@H]1CCN(Cc2cc(Br)cc(C)c2[O-])C1 ZINC000180549944 455194360 /nfs/dbraw/zinc/19/43/60/455194360.db2.gz FKWCHRUQILPNEK-ZDUSSCGKSA-N 0 3 341.293 3.237 20 10 EGCDHN CC[C@H]([NH2+]CC(=O)N(CC)Cc1ccccc1)c1ccccc1[O-] ZINC000183330593 455278667 /nfs/dbraw/zinc/27/86/67/455278667.db2.gz DYFKMWLUDAOFPL-SFHVURJKSA-N 0 3 326.440 3.482 20 10 EGCDHN C[C@@H]([NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccccc1[O-] ZINC000183524232 455302938 /nfs/dbraw/zinc/30/29/38/455302938.db2.gz HCKOGEHAXPVEBH-BZNIZROVSA-N 0 3 349.814 3.201 20 10 EGCDHN CCC[N@H+](Cc1cc2c(cc1[O-])OCO2)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000265871612 455396603 /nfs/dbraw/zinc/39/66/03/455396603.db2.gz JLBDJFCURLTNRX-XWIAVFTESA-N 0 3 333.428 3.146 20 10 EGCDHN CCC[N@@H+](Cc1cc2c(cc1[O-])OCO2)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000265871612 455396608 /nfs/dbraw/zinc/39/66/08/455396608.db2.gz JLBDJFCURLTNRX-XWIAVFTESA-N 0 3 333.428 3.146 20 10 EGCDHN C[C@@H]([NH2+][C@@H](CN1CCOCC1)c1ccccc1)c1cc(F)ccc1[O-] ZINC000184904383 455469555 /nfs/dbraw/zinc/46/95/55/455469555.db2.gz XWIGECJQWRWLRJ-BEFAXECRSA-N 0 3 344.430 3.255 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCC(=O)N2CCCc3ccccc32)c1 ZINC000182314947 455486941 /nfs/dbraw/zinc/48/69/41/455486941.db2.gz CZTLXSSNFCEEKM-AWEZNQCLSA-N 0 3 340.423 3.031 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCN2CCc3sccc3C2)c1 ZINC000185104822 455501669 /nfs/dbraw/zinc/50/16/69/455501669.db2.gz OTERPZDXENUFMF-ZDUSSCGKSA-N 0 3 332.469 3.171 20 10 EGCDHN CCOC(=O)[C@@](C)(C[NH2+]Cc1cccc(OC)c1[O-])c1ccccc1 ZINC000191640106 455506637 /nfs/dbraw/zinc/50/66/37/455506637.db2.gz CRDCTUJZAPIBCR-FQEVSTJZSA-N 0 3 343.423 3.011 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+][C@H](CO)Cc2cccc(C)c2)c1[O-] ZINC000191683941 455509472 /nfs/dbraw/zinc/50/94/72/455509472.db2.gz HYIABTXOUJFXKS-INIZCTEOSA-N 0 3 335.831 3.056 20 10 EGCDHN COc1cccc(C[NH2+]C[C@](C)(Cc2ccccc2)[C@H](C)O)c1[O-] ZINC000191712920 455511998 /nfs/dbraw/zinc/51/19/98/455511998.db2.gz LANNVQVLPGEHJL-YWZLYKJASA-N 0 3 329.440 3.120 20 10 EGCDHN Cc1ccc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000161277539 455555179 /nfs/dbraw/zinc/55/51/79/455555179.db2.gz LYIMUAMUGFVSSV-OAHLLOKOSA-N 0 3 329.419 3.217 20 10 EGCDHN O=C(Nc1cccc(F)c1)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000271365900 455612188 /nfs/dbraw/zinc/61/21/88/455612188.db2.gz OGGQRXHCWWAHLT-UHFFFAOYSA-N 0 3 328.387 3.382 20 10 EGCDHN Cc1noc(C[C@H](NCc2ccc3c(c2)CCO3)c2ccccc2)n1 ZINC000277723186 455645290 /nfs/dbraw/zinc/64/52/90/455645290.db2.gz TXDXDNZFCOIOAL-SFHVURJKSA-N 0 3 335.407 3.387 20 10 EGCDHN CCc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccc(C)cc3[O-])C2)ncn1 ZINC000186023741 455677839 /nfs/dbraw/zinc/67/78/39/455677839.db2.gz OYWVAWXEQKZIFF-DOTOQJQBSA-N 0 3 340.471 3.373 20 10 EGCDHN CC[C@@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1ccccc1[O-] ZINC000186154919 455704858 /nfs/dbraw/zinc/70/48/58/455704858.db2.gz UMZRHNBQRXUIEO-QGZVFWFLSA-N 0 3 333.453 3.178 20 10 EGCDHN COc1cc(NCC[NH2+][C@H](C)c2cc(F)ccc2[O-])cc(OC)c1 ZINC000186155039 455704937 /nfs/dbraw/zinc/70/49/37/455704937.db2.gz PKABFTBFUDVMCZ-GFCCVEGCSA-N 0 3 334.391 3.311 20 10 EGCDHN COc1cc([O-])c(C[NH2+][C@@H](C)[C@@H](OC)c2ccc(F)cc2)cc1OC ZINC000271870229 455793408 /nfs/dbraw/zinc/79/34/08/455793408.db2.gz XJPLLNDQPJEGGJ-HXPMCKFVSA-N 0 3 349.402 3.414 20 10 EGCDHN Cc1cccc(C[NH2+][C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)c1[O-] ZINC000271877093 455795624 /nfs/dbraw/zinc/79/56/24/455795624.db2.gz ZRJJEKDHZVZRFB-SJLPKXTDSA-N 0 3 346.377 3.040 20 10 EGCDHN CC[C@@H]1CN(Cc2ccc(N3CCC(OC)CC3)cc2)CCCO1 ZINC000295304787 455844959 /nfs/dbraw/zinc/84/49/59/455844959.db2.gz KJBYZPGDSBCDDS-LJQANCHMSA-N 0 3 332.488 3.303 20 10 EGCDHN COc1cccc(CN2CCC(Oc3ccncc3C)CC2)c1O ZINC000278787131 455848256 /nfs/dbraw/zinc/84/82/56/455848256.db2.gz WGQHEOZQLZHYJV-UHFFFAOYSA-N 0 3 328.412 3.148 20 10 EGCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)CC2 ZINC000295775963 455859687 /nfs/dbraw/zinc/85/96/87/455859687.db2.gz AOCCQAYELULELS-RTBURBONSA-N 0 3 338.451 3.043 20 10 EGCDHN CC[C@H](NCc1cccnc1OCCOC)c1ccc(C)cc1O ZINC000280007509 455880658 /nfs/dbraw/zinc/88/06/58/455880658.db2.gz GMBNTVYYRDBBOO-KRWDZBQOSA-N 0 3 330.428 3.362 20 10 EGCDHN C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(O)c1 ZINC000194862901 455892823 /nfs/dbraw/zinc/89/28/23/455892823.db2.gz FGAYLFLQWPGIIC-AWEZNQCLSA-N 0 3 344.430 3.343 20 10 EGCDHN C[C@H](CC[S@@](C)=O)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000280302642 455941219 /nfs/dbraw/zinc/94/12/19/455941219.db2.gz OHGDFQZMGYMMGO-RKFFSXRUSA-N 0 3 336.423 3.018 20 10 EGCDHN CN(C)c1ccc(CNCC2([S@@](C)=O)CCC2)c(C(F)(F)F)c1 ZINC000280620442 456015393 /nfs/dbraw/zinc/01/53/93/456015393.db2.gz KZJFBCXCPBLCSY-HSZRJFAPSA-N 0 3 348.434 3.162 20 10 EGCDHN CC[C@@H]([NH2+]Cc1ccncc1OC[C@@H]1CCOC1)c1ccccc1[O-] ZINC000287449203 456068995 /nfs/dbraw/zinc/06/89/95/456068995.db2.gz UXVKWGJJBGMOLB-CRAIPNDOSA-N 0 3 342.439 3.443 20 10 EGCDHN C[C@@H](NC(=O)N(C)Cc1ccccc1O)[C@H](c1ccccc1)N(C)C ZINC000288150279 456088586 /nfs/dbraw/zinc/08/85/86/456088586.db2.gz NVJNQGQCJSSLAX-DNVCBOLYSA-N 0 3 341.455 3.225 20 10 EGCDHN COc1ccc([C@@H](C)[NH2+]Cc2cc3c(cc2[O-])OCO3)c(C)c1OC ZINC000288525698 456098310 /nfs/dbraw/zinc/09/83/10/456098310.db2.gz VEMCYUGEVNEUJX-GFCCVEGCSA-N 0 3 345.395 3.297 20 10 EGCDHN COc1ccc([C@@H](C)NCc2cc3c(cc2O)OCO3)c(C)c1OC ZINC000288525698 456098314 /nfs/dbraw/zinc/09/83/14/456098314.db2.gz VEMCYUGEVNEUJX-GFCCVEGCSA-N 0 3 345.395 3.297 20 10 EGCDHN CCCOc1ccc(C[N@@H+]2CCCC[C@@H]2CCC(=O)NC)c([O-])c1 ZINC000289762159 456140345 /nfs/dbraw/zinc/14/03/45/456140345.db2.gz RAYJBRVWKTXJGT-MRXNPFEDSA-N 0 3 334.460 3.062 20 10 EGCDHN CCCOc1ccc(C[N@H+]2CCCC[C@@H]2CCC(=O)NC)c([O-])c1 ZINC000289762159 456140349 /nfs/dbraw/zinc/14/03/49/456140349.db2.gz RAYJBRVWKTXJGT-MRXNPFEDSA-N 0 3 334.460 3.062 20 10 EGCDHN CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1[O-] ZINC000272999430 456140706 /nfs/dbraw/zinc/14/07/06/456140706.db2.gz YXOAOQDOUAPZSG-CVEARBPZSA-N 0 3 332.444 3.366 20 10 EGCDHN CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1[O-] ZINC000272999430 456140713 /nfs/dbraw/zinc/14/07/13/456140713.db2.gz YXOAOQDOUAPZSG-CVEARBPZSA-N 0 3 332.444 3.366 20 10 EGCDHN CCCOc1ccc(C[NH2+][C@H]2CCCc3[nH]c(=O)ccc32)c([O-])c1 ZINC000263666612 456187148 /nfs/dbraw/zinc/18/71/48/456187148.db2.gz IWDRECZKOLBGOZ-INIZCTEOSA-N 0 3 328.412 3.449 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](CO)Cc2ccc(F)cc2)c1 ZINC000273363779 456225353 /nfs/dbraw/zinc/22/53/53/456225353.db2.gz DPLCVRZCPHVLCB-UKRRQHHQSA-N 0 3 333.403 3.042 20 10 EGCDHN COC[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000273431850 456230770 /nfs/dbraw/zinc/23/07/70/456230770.db2.gz DOKANWRKYDHTRO-KRWDZBQOSA-N 0 3 327.424 3.440 20 10 EGCDHN COC[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000273431850 456230774 /nfs/dbraw/zinc/23/07/74/456230774.db2.gz DOKANWRKYDHTRO-KRWDZBQOSA-N 0 3 327.424 3.440 20 10 EGCDHN C[C@H]([NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1)c1cc(Cl)ccc1[O-] ZINC000273480058 456232786 /nfs/dbraw/zinc/23/27/86/456232786.db2.gz LVLFOCFTUUSPHC-IWEFOYFVSA-N 0 3 338.879 3.074 20 10 EGCDHN COc1cccc(C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c1[O-] ZINC000274316489 456255060 /nfs/dbraw/zinc/25/50/60/456255060.db2.gz WMTCQEMKXXBJSV-MAUKXSAKSA-N 0 3 326.440 3.011 20 10 EGCDHN COc1cccc(C[N@H+](Cc2ccccc2)C2CCN(C)CC2)c1[O-] ZINC000290632541 456388816 /nfs/dbraw/zinc/38/88/16/456388816.db2.gz YBPZVOBNXCQMTD-UHFFFAOYSA-N 0 3 340.467 3.497 20 10 EGCDHN COc1cccc(C[N@@H+](Cc2ccccc2)C2CCN(C)CC2)c1[O-] ZINC000290632541 456388820 /nfs/dbraw/zinc/38/88/20/456388820.db2.gz YBPZVOBNXCQMTD-UHFFFAOYSA-N 0 3 340.467 3.497 20 10 EGCDHN CCN(Cc1ccc(N(C)C)cc1)Cc1ccc2c(c1)NC(=O)CO2 ZINC000276399292 456469033 /nfs/dbraw/zinc/46/90/33/456469033.db2.gz DAKUTFYGEZXJIS-UHFFFAOYSA-N 0 3 339.439 3.106 20 10 EGCDHN CCCOc1ccc(CN2CC[C@H](n3cc(Cl)cn3)C2)c(O)c1 ZINC000290999137 456491309 /nfs/dbraw/zinc/49/13/09/456491309.db2.gz VUEKHZNPSUDCEE-HNNXBMFYSA-N 0 3 335.835 3.478 20 10 EGCDHN CC(C)N(Cc1ccc(N(C)C)cc1)Cc1cccc(C(N)=O)c1 ZINC000298682460 456515508 /nfs/dbraw/zinc/51/55/08/456515508.db2.gz APZSRVADXBNQAY-UHFFFAOYSA-N 0 3 325.456 3.262 20 10 EGCDHN Cc1cccc(C[NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)c1[O-] ZINC000283145517 456721019 /nfs/dbraw/zinc/72/10/19/456721019.db2.gz XCQKMHNYASFRHT-KRWDZBQOSA-N 0 3 325.412 3.097 20 10 EGCDHN C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1)c1ccccc1[O-] ZINC000359990597 457189387 /nfs/dbraw/zinc/18/93/87/457189387.db2.gz BXWMEIMJRBIPQQ-RGIVZKHGSA-N 0 3 336.435 3.200 20 10 EGCDHN C[C@H]([NH2+][C@H]1CCO[C@@]2(CCOC2)C1)c1cc2c(cc1[O-])CCCC2 ZINC000369901172 457451895 /nfs/dbraw/zinc/45/18/95/457451895.db2.gz FJZKMQPUUVLWLK-VHFSOBRXSA-N 0 3 331.456 3.260 20 10 EGCDHN COc1ccc([O-])c(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c1 ZINC000368036114 458006999 /nfs/dbraw/zinc/00/69/99/458006999.db2.gz IDWWKEDDOBLWCQ-HSALFYBXSA-N 0 3 339.435 3.405 20 10 EGCDHN COc1ccc([O-])c(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c1 ZINC000368036114 458007000 /nfs/dbraw/zinc/00/70/00/458007000.db2.gz IDWWKEDDOBLWCQ-HSALFYBXSA-N 0 3 339.435 3.405 20 10 EGCDHN COc1cccc(CNCc2c[nH]nc2-c2c(F)cccc2F)c1O ZINC000368050196 458007838 /nfs/dbraw/zinc/00/78/38/458007838.db2.gz DHJCUQDCZSHOGY-UHFFFAOYSA-N 0 3 345.349 3.359 20 10 EGCDHN COc1cccc(CNCc2cc(Cl)c(OC)c(OC)c2)c1O ZINC000726797539 574572016 /nfs/dbraw/zinc/57/20/16/574572016.db2.gz LCVAAGYBPUFLKC-UHFFFAOYSA-N 0 3 337.803 3.361 20 10 EGCDHN CC(=O)Nc1cccc(CN(C)c2ccc(OCCN(C)C)cc2)c1 ZINC000732411167 575268318 /nfs/dbraw/zinc/26/83/18/575268318.db2.gz QPLXBXZCWOLJGY-UHFFFAOYSA-N 0 3 341.455 3.222 20 10 EGCDHN [O-]c1ccccc1C[NH2+][C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000734843929 575559315 /nfs/dbraw/zinc/55/93/15/575559315.db2.gz SYLBDVIRCHMASA-GDBMZVCRSA-N 0 3 325.330 3.016 20 10 EGCDHN Cc1ccc(C)n1-c1ccc(C(=O)NCCN2CC[C@@H](C)C2)cc1 ZINC000744798643 576834682 /nfs/dbraw/zinc/83/46/82/576834682.db2.gz LYXNGQYQSNWLED-OAHLLOKOSA-N 0 3 325.456 3.166 20 10 EGCDHN Cc1ccc(C)n1-c1ccc(C(=O)NCCN2CC[C@H](C)C2)cc1 ZINC000744798642 576834712 /nfs/dbraw/zinc/83/47/12/576834712.db2.gz LYXNGQYQSNWLED-HNNXBMFYSA-N 0 3 325.456 3.166 20 10 EGCDHN CC[N@H+](Cc1cc(-c2nnn[n-]2)cs1)Cc1ccc(N(C)C)cc1 ZINC000825434660 608495328 /nfs/dbraw/zinc/49/53/28/608495328.db2.gz CZXKAWWBQPYDEW-UHFFFAOYSA-N 0 3 342.472 3.016 20 10 EGCDHN CC[N@@H+](Cc1cc(-c2nnn[n-]2)cs1)Cc1ccc(N(C)C)cc1 ZINC000825434660 608495329 /nfs/dbraw/zinc/49/53/29/608495329.db2.gz CZXKAWWBQPYDEW-UHFFFAOYSA-N 0 3 342.472 3.016 20 10 EGCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NCc1ccccc1F ZINC000076074349 1292419155 /nfs/dbraw/zinc/41/91/55/1292419155.db2.gz DVMHHNZQRHIIGI-HNNXBMFYSA-N 0 3 344.430 3.448 20 10 EGCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NCc1ccccc1F ZINC000076074349 1292419156 /nfs/dbraw/zinc/41/91/56/1292419156.db2.gz DVMHHNZQRHIIGI-HNNXBMFYSA-N 0 3 344.430 3.448 20 10 EGCDHN CC[N@@H+](Cc1cc(Br)cc(OC)c1[O-])C[C@H]1CCCO1 ZINC000092406957 1292867262 /nfs/dbraw/zinc/86/72/62/1292867262.db2.gz TYHWWFJRVRQKNC-CYBMUJFWSA-N 0 3 344.249 3.164 20 10 EGCDHN CC[N@H+](Cc1cc(Br)cc(OC)c1[O-])C[C@H]1CCCO1 ZINC000092406957 1292867272 /nfs/dbraw/zinc/86/72/72/1292867272.db2.gz TYHWWFJRVRQKNC-CYBMUJFWSA-N 0 3 344.249 3.164 20 10 EGCDHN O=C(c1ccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)cc1)N1CCCC1 ZINC000834537826 1293113821 /nfs/dbraw/zinc/11/38/21/1293113821.db2.gz KPRBXZGMDBIBQJ-GOSISDBHSA-N 0 3 336.435 3.405 20 10 EGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1)CC2 ZINC000834775321 1293145903 /nfs/dbraw/zinc/14/59/03/1293145903.db2.gz YUILSBRKPFRLOY-IOASZLSFSA-N 0 3 329.362 3.453 20 10 EGCDHN CCN(C)c1ccc([C@@H](C)NCc2cccc(S(C)(=O)=O)c2)cc1 ZINC000834882994 1293163871 /nfs/dbraw/zinc/16/38/71/1293163871.db2.gz FWKBOWNCKMVPIZ-OAHLLOKOSA-N 0 3 346.496 3.397 20 10 EGCDHN CNC(=O)C[C@H](C)[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000834898648 1293169191 /nfs/dbraw/zinc/16/91/91/1293169191.db2.gz APUBVGYCFAIKAL-YJBOKZPZSA-N 0 3 326.440 3.180 20 10 EGCDHN Cc1noc(C)c1CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000119333606 1293265559 /nfs/dbraw/zinc/26/55/59/1293265559.db2.gz ITXNZEURXAMUOY-QGZVFWFLSA-N 0 3 330.428 3.221 20 10 EGCDHN Cc1noc(C)c1CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000119333606 1293265566 /nfs/dbraw/zinc/26/55/66/1293265566.db2.gz ITXNZEURXAMUOY-QGZVFWFLSA-N 0 3 330.428 3.221 20 10 EGCDHN [O-]c1ccccc1C[N@@H+](Cc1cccc2c[nH]nc21)C[C@H]1CCCO1 ZINC000160181260 1294260942 /nfs/dbraw/zinc/26/09/42/1294260942.db2.gz OQAPFORZSGCCSW-GOSISDBHSA-N 0 3 337.423 3.450 20 10 EGCDHN [O-]c1ccccc1C[N@H+](Cc1cccc2c[nH]nc21)C[C@H]1CCCO1 ZINC000160181260 1294260947 /nfs/dbraw/zinc/26/09/47/1294260947.db2.gz OQAPFORZSGCCSW-GOSISDBHSA-N 0 3 337.423 3.450 20 10 EGCDHN COc1cc(C)cc(CN2CCO[C@]3(CCc4ccccc43)C2)c1O ZINC000164606885 1294351769 /nfs/dbraw/zinc/35/17/69/1294351769.db2.gz JNZAWXUEJLOZRZ-OAQYLSRUSA-N 0 3 339.435 3.383 20 10 EGCDHN COC(=O)CCN(Cc1ccc(F)c(F)c1)Cc1ccccc1O ZINC000179573081 1294806299 /nfs/dbraw/zinc/80/62/99/1294806299.db2.gz PMZFAIJUEXSBIL-UHFFFAOYSA-N 0 3 335.350 3.236 20 10 EGCDHN COc1cc(OC)cc(OCCC[NH2+]Cc2cc(F)ccc2[O-])c1 ZINC000180838483 1294919741 /nfs/dbraw/zinc/91/97/41/1294919741.db2.gz IMEAANRFJHZEGU-UHFFFAOYSA-N 0 3 335.375 3.107 20 10 EGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCS[C@@H]4COCC[C@H]43)c2c1 ZINC000246740752 1296368360 /nfs/dbraw/zinc/36/83/60/1296368360.db2.gz GRPPYQMIYFILPU-IEBWSBKVSA-N 0 3 345.464 3.260 20 10 EGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCS[C@@H]4COCC[C@H]43)c2c1 ZINC000246740752 1296368373 /nfs/dbraw/zinc/36/83/73/1296368373.db2.gz GRPPYQMIYFILPU-IEBWSBKVSA-N 0 3 345.464 3.260 20 10 EGCDHN CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000387473394 1297596436 /nfs/dbraw/zinc/59/64/36/1297596436.db2.gz TXWBABBCCJPYBA-GFCCVEGCSA-N 0 3 326.412 3.266 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CCN2Cc2ccccc2)c1[O-] ZINC000716287204 1298298420 /nfs/dbraw/zinc/29/84/20/1298298420.db2.gz DHSZSECTDCDGOG-QGZVFWFLSA-N 0 3 346.858 3.418 20 10 EGCDHN CCOc1ccc(C[NH2+]CCN2CCCc3ccccc32)c([O-])c1 ZINC000725849673 1298374977 /nfs/dbraw/zinc/37/49/77/1298374977.db2.gz UHCFMCDZBZAUSN-UHFFFAOYSA-N 0 3 326.440 3.333 20 10 EGCDHN OC1CCN(c2ccc(CN3CCC[C@@H](C(F)(F)F)C3)cc2)CC1 ZINC000876536263 1298811933 /nfs/dbraw/zinc/81/19/33/1298811933.db2.gz XDGVAAYKMIULBO-OAHLLOKOSA-N 0 3 342.405 3.422 20 10 EGCDHN Cc1ccc(C[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)c([O-])c1 ZINC000876568287 1298835451 /nfs/dbraw/zinc/83/54/51/1298835451.db2.gz WURPMUJKWCWHHA-UHFFFAOYSA-N 0 3 342.414 3.234 20 10 EGCDHN Cc1cccc([O-])c1C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000876994429 1299105376 /nfs/dbraw/zinc/10/53/76/1299105376.db2.gz IKYSWAAVFHDSHW-UHFFFAOYSA-N 0 3 334.460 3.437 20 10 EGCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000877502269 1299351445 /nfs/dbraw/zinc/35/14/45/1299351445.db2.gz DHZNKDJRCXMDAO-IBGZPJMESA-N 0 3 334.460 3.437 20 10 EGCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000877502269 1299351456 /nfs/dbraw/zinc/35/14/56/1299351456.db2.gz DHZNKDJRCXMDAO-IBGZPJMESA-N 0 3 334.460 3.437 20 10 EGCDHN Cc1ccc(C[NH2+]C[C@H](O)c2ccccc2Br)c([O-])c1 ZINC000877576045 1299410803 /nfs/dbraw/zinc/41/08/03/1299410803.db2.gz DFYPVHLAANBDCV-INIZCTEOSA-N 0 3 336.229 3.286 20 10 EGCDHN C[C@H]([NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@H]1CCCO1 ZINC000753660661 1300001671 /nfs/dbraw/zinc/00/16/71/1300001671.db2.gz AMQVKDRFWUADDN-QANKJYHBSA-N 0 3 338.879 3.167 20 10 EGCDHN CCCCN(CC(=O)Nc1ccnn1CCC)Cc1ccccc1O ZINC000878564934 1300079939 /nfs/dbraw/zinc/07/99/39/1300079939.db2.gz GIJVDGITUXIFJH-UHFFFAOYSA-N 0 3 344.459 3.240 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+]CCCN2CCCCCC2=O)c2c1c(F)ccc2[O-] ZINC000756370387 1300478473 /nfs/dbraw/zinc/47/84/73/1300478473.db2.gz GGDUFXFPNODKPI-UKRRQHHQSA-N 0 3 334.435 3.462 20 10 EGCDHN CCOC(=O)N1CCC([NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)CC1 ZINC000756379771 1300479242 /nfs/dbraw/zinc/47/92/42/1300479242.db2.gz BPFVPKSGGFCOQI-RISCZKNCSA-N 0 3 336.407 3.290 20 10 EGCDHN CNC(=O)c1ccc(C[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)cc1 ZINC000756396976 1300483016 /nfs/dbraw/zinc/48/30/16/1300483016.db2.gz QXNCEIAXSFUYIM-NHYWBVRUSA-N 0 3 328.387 3.229 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+]CCc2nnc3n2CCCCC3)c2c1c(F)ccc2[O-] ZINC000756398682 1300484275 /nfs/dbraw/zinc/48/42/75/1300484275.db2.gz XPTHYFZEXYJWTD-TZMCWYRMSA-N 0 3 344.434 3.230 20 10 EGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@@H](CO)CC(F)(F)F ZINC000756993758 1300606469 /nfs/dbraw/zinc/60/64/69/1300606469.db2.gz FTQMMOCFWKDTJP-OAHLLOKOSA-N 0 3 325.330 3.462 20 10 EGCDHN C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(Cl)s1)c1ccccc1[O-] ZINC000879647736 1300648263 /nfs/dbraw/zinc/64/82/63/1300648263.db2.gz JPQZSGPGLNACOC-LLVKDONJSA-N 0 3 338.860 3.416 20 10 EGCDHN CC[C@@H](C(=O)NCc1ccc(N(C)C2CCCCC2)cc1)N(C)C ZINC000764386070 1302055419 /nfs/dbraw/zinc/05/54/19/1302055419.db2.gz HCUJZGJICVJLGA-IBGZPJMESA-N 0 3 331.504 3.412 20 10 EGCDHN C[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccsc1 ZINC000765252838 1302229971 /nfs/dbraw/zinc/22/99/71/1302229971.db2.gz JFHMXFHAPPZQSU-GOEBONIOSA-N 0 3 343.496 3.301 20 10 EGCDHN CCC[N@H+](Cc1ccc(F)cc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768440894 1302902688 /nfs/dbraw/zinc/90/26/88/1302902688.db2.gz VBPRHQZEDBPCQC-SFHVURJKSA-N 0 3 331.387 3.369 20 10 EGCDHN CCC[N@@H+](Cc1ccc(F)cc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768440894 1302902696 /nfs/dbraw/zinc/90/26/96/1302902696.db2.gz VBPRHQZEDBPCQC-SFHVURJKSA-N 0 3 331.387 3.369 20 10 EGCDHN COc1ccc([C@H]2CCC[N@@H+]2Cc2cc3c(cc2[O-])OC[C@H]3O)cc1 ZINC000768442005 1302903551 /nfs/dbraw/zinc/90/35/51/1302903551.db2.gz NFADTPHSOIZIFT-IEBWSBKVSA-N 0 3 341.407 3.164 20 10 EGCDHN COc1ccc([C@H]2CCC[N@H+]2Cc2cc3c(cc2[O-])OC[C@H]3O)cc1 ZINC000768442005 1302903558 /nfs/dbraw/zinc/90/35/58/1302903558.db2.gz NFADTPHSOIZIFT-IEBWSBKVSA-N 0 3 341.407 3.164 20 10 EGCDHN CC1(C)CN(Cc2cc3c(cc2O)OC[C@H]3O)[C@@H]1c1ccccc1 ZINC000768440898 1302904318 /nfs/dbraw/zinc/90/43/18/1302904318.db2.gz APRGJHKWUJQXPB-IEBWSBKVSA-N 0 3 325.408 3.401 20 10 EGCDHN [O-]c1cc2c(cc1C[NH+]1CCC(OC3CCCCC3)CC1)[C@H](O)CO2 ZINC000768443102 1302904357 /nfs/dbraw/zinc/90/43/57/1302904357.db2.gz AJAJZUMCEOVLAO-LJQANCHMSA-N 0 3 347.455 3.132 20 10 EGCDHN C[N@H+](CCc1ccc(Cl)cc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768447720 1302906868 /nfs/dbraw/zinc/90/68/68/1302906868.db2.gz PBNUZENHWHSNRI-QGZVFWFLSA-N 0 3 333.815 3.146 20 10 EGCDHN C[N@@H+](CCc1ccc(Cl)cc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768447720 1302906877 /nfs/dbraw/zinc/90/68/77/1302906877.db2.gz PBNUZENHWHSNRI-QGZVFWFLSA-N 0 3 333.815 3.146 20 10 EGCDHN CCOc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)c([O-])c1 ZINC000769386661 1303104008 /nfs/dbraw/zinc/10/40/08/1303104008.db2.gz DLXUCHKXGKACNK-OAHLLOKOSA-N 0 3 348.487 3.165 20 10 EGCDHN CCOc1ccc(C[N@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)c([O-])c1 ZINC000769386661 1303104012 /nfs/dbraw/zinc/10/40/12/1303104012.db2.gz DLXUCHKXGKACNK-OAHLLOKOSA-N 0 3 348.487 3.165 20 10 EGCDHN CCOc1ccc(C[NH+]2CCC(CN3CCCCC3=O)CC2)c([O-])c1 ZINC000769454973 1303116986 /nfs/dbraw/zinc/11/69/86/1303116986.db2.gz CAFKZSMZAQCUOU-UHFFFAOYSA-N 0 3 346.471 3.015 20 10 EGCDHN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000772827794 1303583534 /nfs/dbraw/zinc/58/35/34/1303583534.db2.gz KAITVLSAWLBYRM-UZLBHIALSA-N 0 3 337.467 3.389 20 10 EGCDHN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000772827794 1303583544 /nfs/dbraw/zinc/58/35/44/1303583544.db2.gz KAITVLSAWLBYRM-UZLBHIALSA-N 0 3 337.467 3.389 20 10 EGCDHN C[C@H](Cn1cccn1)N[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000772949473 1303597935 /nfs/dbraw/zinc/59/79/35/1303597935.db2.gz BLZPKEUWMHXHQJ-HUUCEWRRSA-N 0 3 348.878 3.112 20 10 EGCDHN C[C@@H](N[C@@H](Cc1ccc(Cl)cc1)C(N)=O)c1ccc(N(C)C)cc1 ZINC000774482723 1303814832 /nfs/dbraw/zinc/81/48/32/1303814832.db2.gz MJWOABZZPWLFST-ACJLOTCBSA-N 0 3 345.874 3.153 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCc3cc(O)ccc3C2)c1[O-] ZINC000775173870 1303919242 /nfs/dbraw/zinc/91/92/42/1303919242.db2.gz STVJQKSZEKYALP-OAHLLOKOSA-N 0 3 333.815 3.407 20 10 EGCDHN COc1cccc([O-])c1C[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000775190466 1303922210 /nfs/dbraw/zinc/92/22/10/1303922210.db2.gz CPAFIGVDEOPFBO-UHFFFAOYSA-N 0 3 341.451 3.218 20 10 EGCDHN C[C@H](NC(=O)c1cccc(CN(C)C)c1)c1ccc(N(C)C)cc1 ZINC000775407334 1303958435 /nfs/dbraw/zinc/95/84/35/1303958435.db2.gz SLBZRUDYUMWFQL-HNNXBMFYSA-N 0 3 325.456 3.305 20 10 EGCDHN CC[C@H]([NH2+]C[C@H](O)COc1c(C)cccc1C)c1ccccc1[O-] ZINC000775414266 1303960886 /nfs/dbraw/zinc/96/08/86/1303960886.db2.gz GYNZDQXGEIROQL-WMZOPIPTSA-N 0 3 329.440 3.490 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H](CCO)C2)c1[O-] ZINC000775681223 1304014452 /nfs/dbraw/zinc/01/44/52/1304014452.db2.gz NPZOISDCJVDGMD-LBPRGKRZSA-N 0 3 328.250 3.058 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@@H](CCO)C2)c1[O-] ZINC000775681223 1304014456 /nfs/dbraw/zinc/01/44/56/1304014456.db2.gz NPZOISDCJVDGMD-LBPRGKRZSA-N 0 3 328.250 3.058 20 10 EGCDHN C[C@@H](N[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000775830698 1304045149 /nfs/dbraw/zinc/04/51/49/1304045149.db2.gz MMSIDBRZCGHWKU-OAFZBRQQSA-N 0 3 331.504 3.487 20 10 EGCDHN Cc1ccccc1CN(C)C(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775831358 1304045194 /nfs/dbraw/zinc/04/51/94/1304045194.db2.gz QYSVNNGHCUNSGJ-KRWDZBQOSA-N 0 3 339.483 3.370 20 10 EGCDHN C[C@H](NCC(=O)Nc1ccc(F)cc1F)c1ccc(N(C)C)cc1 ZINC000775837485 1304047606 /nfs/dbraw/zinc/04/76/06/1304047606.db2.gz SWXFDSNXQCYXTI-LBPRGKRZSA-N 0 3 333.382 3.320 20 10 EGCDHN CC(C)N(CC(F)(F)F)C(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775836604 1304048046 /nfs/dbraw/zinc/04/80/46/1304048046.db2.gz ODBJVYKEORKVML-CYBMUJFWSA-N 0 3 345.409 3.203 20 10 EGCDHN CO[C@H]1CCC[C@H]1C[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000776256918 1304122272 /nfs/dbraw/zinc/12/22/72/1304122272.db2.gz SOFNNBBDGZUVRJ-FZMZJTMJSA-N 0 3 328.250 3.368 20 10 EGCDHN COC(=O)CC1([NH2+]Cc2cc(Br)cc(C)c2[O-])CCC1 ZINC000777439254 1304296320 /nfs/dbraw/zinc/29/63/20/1304296320.db2.gz AJWDQVDJOGABGB-UHFFFAOYSA-N 0 3 342.233 3.039 20 10 EGCDHN CSCCCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891253044 1305000018 /nfs/dbraw/zinc/00/00/18/1305000018.db2.gz PNKOOLWTOVMTOC-KRWDZBQOSA-N 0 3 337.533 3.005 20 10 EGCDHN CCn1cc(CNCc2ccc(N3CCSCC3)cc2)c(C)n1 ZINC000892612709 1305471123 /nfs/dbraw/zinc/47/11/23/1305471123.db2.gz MLPOEKKWXHQULS-UHFFFAOYSA-N 0 3 330.501 3.054 20 10 EGCDHN COc1cccc(C2(NCc3ccc(OC)c(OC)c3O)CC2)c1 ZINC000893107838 1305711342 /nfs/dbraw/zinc/71/13/42/1305711342.db2.gz IJCYYNIUHDBURJ-UHFFFAOYSA-N 0 3 329.396 3.197 20 10 EGCDHN COc1ccc(CNCc2cc(C)cc(OC)c2O)c(OC)c1OC ZINC000894191018 1306268323 /nfs/dbraw/zinc/26/83/23/1306268323.db2.gz AXPTXHKHWQVNFN-UHFFFAOYSA-N 0 3 347.411 3.025 20 10 EGCDHN COc1cc(C)cc(CN[C@@H]2CCOc3c(OC)cccc32)c1O ZINC000894257793 1306305228 /nfs/dbraw/zinc/30/52/28/1306305228.db2.gz XXMHXGRDNVFOQA-OAHLLOKOSA-N 0 3 329.396 3.331 20 10 EGCDHN COc1cc(Br)cc(C[NH2+]C[C@@H]2CCSC2)c1[O-] ZINC000790485126 1306335690 /nfs/dbraw/zinc/33/56/90/1306335690.db2.gz JUMGLJMPUPDBJD-VIFPVBQESA-N 0 3 332.263 3.006 20 10 EGCDHN CCN(CC)c1ccc(CN2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)cc1 ZINC000790930573 1308889349 /nfs/dbraw/zinc/88/93/49/1308889349.db2.gz ALBKWGYWVGZTGN-ABSDTBQOSA-N 0 3 332.488 3.301 20 10 EGCDHN CCOc1ccc(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)c([O-])c1 ZINC000792183566 1309138309 /nfs/dbraw/zinc/13/83/09/1309138309.db2.gz OOJDUPUDTAVNLP-UHFFFAOYSA-N 0 3 346.402 3.368 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]CCN1CC=CCC1 ZINC000793319178 1309345893 /nfs/dbraw/zinc/34/58/93/1309345893.db2.gz NGUAOKYZBWJGQP-UHFFFAOYSA-N 0 3 338.451 3.323 20 10 EGCDHN COc1ccc(C[NH2+]Cc2cc(OC)c(OC)cc2SC)c([O-])c1 ZINC000793386489 1309361868 /nfs/dbraw/zinc/36/18/68/1309361868.db2.gz SWNXWJRQZNWAAW-UHFFFAOYSA-N 0 3 349.452 3.430 20 10 EGCDHN CC[C@H]([NH2+]CCNC(=O)c1ccc(C)cc1)c1ccc(C)cc1[O-] ZINC000794800182 1309597161 /nfs/dbraw/zinc/59/71/61/1309597161.db2.gz AUFSPLMOSAMGRU-SFHVURJKSA-N 0 3 326.440 3.480 20 10 EGCDHN C[C@@H]1C[C@@H](c2ccccc2)[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000795748394 1309825746 /nfs/dbraw/zinc/82/57/46/1309825746.db2.gz XIKKPXRDAMKNJG-XVGQJIODSA-N 0 3 325.408 3.401 20 10 EGCDHN C[C@@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000795748394 1309825751 /nfs/dbraw/zinc/82/57/51/1309825751.db2.gz XIKKPXRDAMKNJG-XVGQJIODSA-N 0 3 325.408 3.401 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]C[C@](C)(O)c2cccc(F)c2)c1[O-] ZINC000896562263 1309916496 /nfs/dbraw/zinc/91/64/96/1309916496.db2.gz AGEPSKSZEZWNKB-KRWDZBQOSA-N 0 3 339.794 3.191 20 10 EGCDHN C[C@H]([NH2+][C@@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccccc1[O-] ZINC000800994674 1310848897 /nfs/dbraw/zinc/84/88/97/1310848897.db2.gz YPDOMLOOVDIXLL-FUHWJXTLSA-N 0 3 338.451 3.277 20 10 EGCDHN CCCCN(CC(=O)NCc1ccc(F)cc1)Cc1ccccc1O ZINC000801597715 1310970948 /nfs/dbraw/zinc/97/09/48/1310970948.db2.gz MZCHDPRGCVZVMX-UHFFFAOYSA-N 0 3 344.430 3.450 20 10 EGCDHN CO[C@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000824815187 1320287449 /nfs/dbraw/zinc/28/74/49/1320287449.db2.gz JJPQIBGJLZCLGP-KXBFYZLASA-N 0 3 347.459 3.442 20 10 EGCDHN CNC(=O)[C@H](CCSC)N[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000806662817 1317517591 /nfs/dbraw/zinc/51/75/91/1317517591.db2.gz HIBQSEBVHNNXJC-QAPCUYQASA-N 0 3 349.544 3.195 20 10 EGCDHN CCNc1ccccc1CNCc1ccc(N2CCOCC2)cc1 ZINC000902092561 1317520778 /nfs/dbraw/zinc/52/07/78/1317520778.db2.gz GBFDNYCKIWQSRQ-UHFFFAOYSA-N 0 3 325.456 3.245 20 10 EGCDHN COc1cc(CN2CCC[C@H]2C2OCCO2)c(O)c(C(C)(C)C)c1 ZINC000902622655 1317600779 /nfs/dbraw/zinc/60/07/79/1317600779.db2.gz PEPYQEUDFBGCRC-INIZCTEOSA-N 0 3 335.444 3.036 20 10 EGCDHN CCN(C(=O)CN[C@H](C)c1cccc(OC)c1O)c1ccccc1 ZINC000903194558 1317670783 /nfs/dbraw/zinc/67/07/83/1317670783.db2.gz FBLYSOJZXMXRGC-CQSZACIVSA-N 0 3 328.412 3.105 20 10 EGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCc2cccc(C(N)=O)c2)c1[O-] ZINC000808705138 1317718316 /nfs/dbraw/zinc/71/83/16/1317718316.db2.gz AWZAQFUCSBCJGQ-GFCCVEGCSA-N 0 3 332.831 3.346 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CC2(S(C)(=O)=O)CCCC2)c1[O-] ZINC000808717137 1317721803 /nfs/dbraw/zinc/72/18/03/1317721803.db2.gz ABXFDWRGMMYNMQ-LBPRGKRZSA-N 0 3 345.892 3.362 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2COc3ccccc3[C@H]2O)c1[O-] ZINC000808729478 1317724276 /nfs/dbraw/zinc/72/42/76/1317724276.db2.gz KQJIXFHFAPHNKY-GEWABHDNSA-N 0 3 333.815 3.499 20 10 EGCDHN CCN(CC)c1ccc(CNCc2cc(C(=O)OC)n(C)c2)cc1F ZINC000809618367 1317847200 /nfs/dbraw/zinc/84/72/00/1317847200.db2.gz HJDQWAFHJPVFFB-UHFFFAOYSA-N 0 3 347.434 3.087 20 10 EGCDHN COc1cccc([O-])c1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000809698828 1317868016 /nfs/dbraw/zinc/86/80/16/1317868016.db2.gz HBEKOEGLNAWMHV-QRQLOZEOSA-N 0 3 339.435 3.405 20 10 EGCDHN COc1cccc([O-])c1C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000809698828 1317868018 /nfs/dbraw/zinc/86/80/18/1317868018.db2.gz HBEKOEGLNAWMHV-QRQLOZEOSA-N 0 3 339.435 3.405 20 10 EGCDHN C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1cc(Br)ccc1[O-] ZINC000809724453 1317878996 /nfs/dbraw/zinc/87/89/96/1317878996.db2.gz KSOHSRBRAKCZQP-DOMZBBRYSA-N 0 3 339.277 3.213 20 10 EGCDHN CCOc1ccc(C[N@H+](CCCOC)Cc2ccncc2)c([O-])c1 ZINC000809740974 1317886375 /nfs/dbraw/zinc/88/63/75/1317886375.db2.gz LNNGOXKCNDZMMC-UHFFFAOYSA-N 0 3 330.428 3.225 20 10 EGCDHN CCOc1ccc(C[N@@H+](CCCOC)Cc2ccncc2)c([O-])c1 ZINC000809740974 1317886382 /nfs/dbraw/zinc/88/63/82/1317886382.db2.gz LNNGOXKCNDZMMC-UHFFFAOYSA-N 0 3 330.428 3.225 20 10 EGCDHN c1ncc(-c2ccc(CNCc3ccc(N4CCOCC4)cc3)cc2)o1 ZINC000906520378 1318112030 /nfs/dbraw/zinc/11/20/30/1318112030.db2.gz PHBOZAYQMYKFOZ-UHFFFAOYSA-N 0 3 349.434 3.468 20 10 EGCDHN Cc1cc(CN2CC[C@@H](NC(=O)OC(C)(C)C)C2)ccc1N(C)C ZINC000815044131 1318873102 /nfs/dbraw/zinc/87/31/02/1318873102.db2.gz ZPOHOSNSTWIEDL-MRXNPFEDSA-N 0 3 333.476 3.160 20 10 EGCDHN CCN(C)c1ccc(CN2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1 ZINC000815118699 1318897563 /nfs/dbraw/zinc/89/75/63/1318897563.db2.gz ZMFNJSVIEBTAFS-HOCLYGCPSA-N 0 3 330.394 3.135 20 10 EGCDHN COc1cc(Br)cc(C[NH2+]CCC2(OC)CCC2)c1[O-] ZINC000815145728 1318911293 /nfs/dbraw/zinc/91/12/93/1318911293.db2.gz CNXLIYSRNDAFLN-UHFFFAOYSA-N 0 3 344.249 3.212 20 10 EGCDHN CC(C)OCCN1CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816514374 1319170437 /nfs/dbraw/zinc/17/04/37/1319170437.db2.gz VNIFCZNSNKIUEE-UHFFFAOYSA-N 0 3 328.456 3.088 20 10 EGCDHN COCCOc1ncccc1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816535740 1319177292 /nfs/dbraw/zinc/17/72/92/1319177292.db2.gz YKAASLIPQSHSJG-UHFFFAOYSA-N 0 3 338.407 3.255 20 10 EGCDHN C[C@@H]1C[C@H](CO)C[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000817412096 1319350661 /nfs/dbraw/zinc/35/06/61/1319350661.db2.gz CXPNOENUOYBJLX-AEFFLSMTSA-N 0 3 341.451 3.422 20 10 EGCDHN C[C@@H]1C[C@H](CO)C[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000817412096 1319350672 /nfs/dbraw/zinc/35/06/72/1319350672.db2.gz CXPNOENUOYBJLX-AEFFLSMTSA-N 0 3 341.451 3.422 20 10 EGCDHN COc1cccc([O-])c1C[N@H+]1C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C1 ZINC000817414862 1319353110 /nfs/dbraw/zinc/35/31/10/1319353110.db2.gz POCXMCRVXKAFCQ-UONOGXRCSA-N 0 3 335.444 3.201 20 10 EGCDHN COc1cccc([O-])c1C[N@@H+]1C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C1 ZINC000817414862 1319353121 /nfs/dbraw/zinc/35/31/21/1319353121.db2.gz POCXMCRVXKAFCQ-UONOGXRCSA-N 0 3 335.444 3.201 20 10 EGCDHN C[C@H](NCCc1ccc(N)cc1)c1ncc(Br)cc1F ZINC000817957835 1319476364 /nfs/dbraw/zinc/47/63/64/1319476364.db2.gz PQLFIAGKYHTSIO-JTQLQIEISA-N 0 3 338.224 3.459 20 10 EGCDHN CCCNCC[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000817963618 1319479095 /nfs/dbraw/zinc/47/90/95/1319479095.db2.gz WHOPNHIXRODOOW-VIFPVBQESA-N 0 3 335.673 3.458 20 10 EGCDHN COc1ccc(N2CC[C@H](CN[C@H]3C[C@H](C)n4ccnc43)C2)cc1 ZINC000818341599 1319531040 /nfs/dbraw/zinc/53/10/40/1319531040.db2.gz BQTPEQGZBAANQE-DAYGRLMNSA-N 0 3 326.444 3.014 20 10 EGCDHN O=C(CCCc1ccccc1)NCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000818352711 1319534338 /nfs/dbraw/zinc/53/43/38/1319534338.db2.gz OKRUPDWASPKIFM-GOSISDBHSA-N 0 3 338.451 3.108 20 10 EGCDHN C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000823855603 1320211989 /nfs/dbraw/zinc/21/19/89/1320211989.db2.gz YXZXRUYRHCXMJW-KCXAZCMYSA-N 0 3 340.920 3.351 20 10 EGCDHN COc1ccc(CN[C@@H]2C[C@@H](OC(C)(C)C)[C@@H]2n2cccn2)cc1C ZINC000825118907 1320312734 /nfs/dbraw/zinc/31/27/34/1320312734.db2.gz YUZAUVWDWRBRSR-BHIYHBOVSA-N 0 3 343.471 3.487 20 10 EGCDHN CC(C)(CN1CCOCC1)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000840961885 1321188246 /nfs/dbraw/zinc/18/82/46/1321188246.db2.gz CWXMDFJMOYBDMC-UHFFFAOYSA-N 0 3 340.467 3.260 20 10 EGCDHN CC[C@H](C)C[C@H](CO)[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000842753058 1321427619 /nfs/dbraw/zinc/42/76/19/1321427619.db2.gz BSYBMTMHIHKFTF-GXFFZTMASA-N 0 3 346.265 3.050 20 10 EGCDHN CCOc1ccc(C[NH2+]CCc2cn3c(cccc3C)n2)c([O-])c1 ZINC000842782554 1321431335 /nfs/dbraw/zinc/43/13/35/1321431335.db2.gz MGOSJAJSTGINHD-UHFFFAOYSA-N 0 3 325.412 3.079 20 10 EGCDHN CC[C@@H]([NH2+][C@H]1CCc2cccc([O-])c21)C(=O)NCc1cccs1 ZINC000842907065 1321448594 /nfs/dbraw/zinc/44/85/94/1321448594.db2.gz CKNUJPLQSAWVJH-CABCVRRESA-N 0 3 330.453 3.126 20 10 EGCDHN COc1cccc([O-])c1C[NH2+][C@H](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000843416688 1321514159 /nfs/dbraw/zinc/51/41/59/1321514159.db2.gz KNYGJCZJDCWVJP-OLZOCXBDSA-N 0 3 338.448 3.182 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+](C)C[C@@]2(O)CCc3ccccc32)c1[O-] ZINC000843422507 1321516533 /nfs/dbraw/zinc/51/65/33/1321516533.db2.gz WXXHFLFXMBZTLH-IBGZPJMESA-N 0 3 347.842 3.320 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+](C)C[C@@]2(O)CCc3ccccc32)c1[O-] ZINC000843422507 1321516536 /nfs/dbraw/zinc/51/65/36/1321516536.db2.gz WXXHFLFXMBZTLH-IBGZPJMESA-N 0 3 347.842 3.320 20 10 EGCDHN COc1cccc([C@H](C)N[C@H](CC(=O)N(C)C)c2ccccc2)c1O ZINC000846144193 1321771329 /nfs/dbraw/zinc/77/13/29/1321771329.db2.gz LIFHBYHGNYYRKB-WMLDXEAASA-N 0 3 342.439 3.271 20 10 EGCDHN Cc1ncncc1[C@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000848527130 1321969242 /nfs/dbraw/zinc/96/92/42/1321969242.db2.gz SLKUBLKEXZCVDE-ZBFHGGJFSA-N 0 3 326.444 3.033 20 10 EGCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2O)c1[O-] ZINC000848546333 1321973629 /nfs/dbraw/zinc/97/36/29/1321973629.db2.gz YJGCZCAKYLIHSW-OASPWFOLSA-N 0 3 344.249 3.117 20 10 EGCDHN CN(C)C(=O)C[C@@H](NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000920183321 1322149190 /nfs/dbraw/zinc/14/91/90/1322149190.db2.gz KPANLBMIGQBELW-LJQANCHMSA-N 0 3 325.456 3.062 20 10 EGCDHN COc1ccc(N2CC[C@H](CNCc3nccn3C(C)C)C2)cc1 ZINC000850331410 1322229374 /nfs/dbraw/zinc/22/93/74/1322229374.db2.gz YKRAGJMSFUXKOL-MRXNPFEDSA-N 0 3 328.460 3.089 20 10 EGCDHN COc1cccc([O-])c1C[NH2+]C[C@@](C)(COCc1ccccc1)OC ZINC000850357781 1322233359 /nfs/dbraw/zinc/23/33/59/1322233359.db2.gz VGUGVIMCDYHOIX-FQEVSTJZSA-N 0 3 345.439 3.112 20 10 EGCDHN CCOc1ccccc1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000850405553 1322240138 /nfs/dbraw/zinc/24/01/38/1322240138.db2.gz TWRXYDOHCZHDJJ-UHFFFAOYSA-N 0 3 340.467 3.336 20 10 EGCDHN [O-]c1ccccc1C[NH2+]Cc1cccc(COC[C@@H]2CCCO2)c1 ZINC000850416166 1322243168 /nfs/dbraw/zinc/24/31/68/1322243168.db2.gz CEVAVCGKWPQJHW-IBGZPJMESA-N 0 3 327.424 3.378 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)c2c1c(F)ccc2[O-] ZINC000850500514 1322257552 /nfs/dbraw/zinc/25/75/52/1322257552.db2.gz FCDNEHZWHYQKNM-GKTZCKRASA-N 0 3 325.449 3.359 20 10 EGCDHN COc1ccc(N2C[C@H]([NH2+][C@H](C)c3ccc(C)cc3[O-])CC2=O)cc1 ZINC000850516256 1322259950 /nfs/dbraw/zinc/25/99/50/1322259950.db2.gz UBXWWNOEYASKKE-HUUCEWRRSA-N 0 3 340.423 3.165 20 10 EGCDHN COC[C@@H](N[C@@H](C)c1cc(OC)ccc1O)c1cccc(OC)c1 ZINC000850515370 1322260059 /nfs/dbraw/zinc/26/00/59/1322260059.db2.gz XCOVZICQVIGSFH-SCLBCKFNSA-N 0 3 331.412 3.448 20 10 EGCDHN CC[C@H]([NH2+][C@H]1CC(=O)N(c2ccc(OC)cc2)C1)c1ccccc1[O-] ZINC000850516289 1322260158 /nfs/dbraw/zinc/26/01/58/1322260158.db2.gz UMQPCUVCPVFELF-KSSFIOAISA-N 0 3 340.423 3.247 20 10 EGCDHN C[C@@H](NCc1cnn(C2CCC2)c1)c1ccc(N2CCOCC2)cc1 ZINC000921593069 1322360211 /nfs/dbraw/zinc/36/02/11/1322360211.db2.gz PUESKFQWYIASHY-MRXNPFEDSA-N 0 3 340.471 3.296 20 10 EGCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@@H]1C[C@H]2CCCC[C@H]2NC1=O ZINC000852019228 1323133928 /nfs/dbraw/zinc/13/39/28/1323133928.db2.gz VVAFFMJNOLPOSM-KBAYOESNSA-N 0 3 330.472 3.442 20 10 EGCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H]1C[C@H]2CCCC[C@H]2NC1=O ZINC000852019228 1323133940 /nfs/dbraw/zinc/13/39/40/1323133940.db2.gz VVAFFMJNOLPOSM-KBAYOESNSA-N 0 3 330.472 3.442 20 10 EGCDHN COc1cc([N+](=O)[O-])c(N2CCN(C)C3(CCCCC3)C2)cc1OC ZINC000853656607 1325142044 /nfs/dbraw/zinc/14/20/44/1325142044.db2.gz UFCFUBZNRFTOJA-UHFFFAOYSA-N 0 3 349.431 3.067 20 10 EGCDHN CCOc1ccc(CNCc2ccc(Br)cn2)c(O)c1 ZINC000865810797 1329741287 /nfs/dbraw/zinc/74/12/87/1329741287.db2.gz HXWUWBPVOFSAPZ-UHFFFAOYSA-N 0 3 337.217 3.238 20 10 EGCDHN Cc1ccoc1CN(C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001324375205 1387612966 /nfs/dbraw/zinc/61/29/66/1387612966.db2.gz IGCGXRIZWJWHJF-UHFFFAOYSA-N 0 3 331.435 3.111 20 10 EGCDHN COC(=O)C[C@@H](C)[N@H+](Cc1ccccc1)Cc1ccc(OC)cc1[O-] ZINC001203634839 1370195204 /nfs/dbraw/zinc/19/52/04/1370195204.db2.gz XSNHDJGXWHSTCL-OAHLLOKOSA-N 0 3 343.423 3.355 20 10 EGCDHN COC(=O)C[C@@H](C)[N@@H+](Cc1ccccc1)Cc1ccc(OC)cc1[O-] ZINC001203634839 1370195207 /nfs/dbraw/zinc/19/52/07/1370195207.db2.gz XSNHDJGXWHSTCL-OAHLLOKOSA-N 0 3 343.423 3.355 20 10 EGCDHN COC(=O)c1cccc(C2CCN(Cc3ccc(O)c(O)c3)CC2)c1 ZINC001203880521 1370298083 /nfs/dbraw/zinc/29/80/83/1370298083.db2.gz UWZFQLIDHCXJDN-UHFFFAOYSA-N 0 3 341.407 3.264 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC3(CCCNC3=O)CC2)cc1 ZINC001203941985 1370323243 /nfs/dbraw/zinc/32/32/43/1370323243.db2.gz JBVAKNRPNNFBLD-UHFFFAOYSA-N 0 3 329.488 3.025 20 10 EGCDHN COCC[N@H+](Cc1cc(Br)cc(OC)c1[O-])C(C)C ZINC001204338436 1370447489 /nfs/dbraw/zinc/44/74/89/1370447489.db2.gz GZRULVZRHKYNCN-UHFFFAOYSA-N 0 3 332.238 3.020 20 10 EGCDHN COCC[N@@H+](Cc1cc(Br)cc(OC)c1[O-])C(C)C ZINC001204338436 1370447491 /nfs/dbraw/zinc/44/74/91/1370447491.db2.gz GZRULVZRHKYNCN-UHFFFAOYSA-N 0 3 332.238 3.020 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+]CCC(=O)N2CCC[C@@H](C)C2)c2c1c(F)ccc2[O-] ZINC001116589331 1370941600 /nfs/dbraw/zinc/94/16/00/1370941600.db2.gz UHBZUQWJZMIPDK-NFAWXSAZSA-N 0 3 334.435 3.318 20 10 EGCDHN CC(C)(C)OC(=O)N1CCC[C@H]1C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001207374214 1371377499 /nfs/dbraw/zinc/37/74/99/1371377499.db2.gz FXNZJNHTMXRJSO-HNNXBMFYSA-N 0 3 332.444 3.150 20 10 EGCDHN CC(C)(C)OC(=O)N1CCC[C@H]1C[N@H+]1CCc2cccc([O-])c2C1 ZINC001207374214 1371377504 /nfs/dbraw/zinc/37/75/04/1371377504.db2.gz FXNZJNHTMXRJSO-HNNXBMFYSA-N 0 3 332.444 3.150 20 10 EGCDHN Cc1ccc(C)n1-c1ccc(CN2CCC(=O)N3CCC[C@@H]3C2)cc1 ZINC001209520292 1372128084 /nfs/dbraw/zinc/12/80/84/1372128084.db2.gz URZMUIDJCNNPHL-HXUWFJFHSA-N 0 3 337.467 3.291 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CCCC[C@@H]1CO ZINC001231466180 1376246736 /nfs/dbraw/zinc/24/67/36/1376246736.db2.gz OQXOIGZMAYZDFC-GOSISDBHSA-N 0 3 327.424 3.318 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CCCC[C@@H]1CO ZINC001231466180 1376246742 /nfs/dbraw/zinc/24/67/42/1376246742.db2.gz OQXOIGZMAYZDFC-GOSISDBHSA-N 0 3 327.424 3.318 20 10 EGCDHN Cc1ccc(O[C@H]2CCCN(Cc3cc(O)c(O)cc3O)C2)cc1 ZINC001233484888 1376652680 /nfs/dbraw/zinc/65/26/80/1376652680.db2.gz BBOBFQVEQLQADI-INIZCTEOSA-N 0 3 329.396 3.155 20 10 EGCDHN COC(=O)[C@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC1 ZINC001233775775 1376713779 /nfs/dbraw/zinc/71/37/79/1376713779.db2.gz BZLYENYYEODWMG-NSHDSACASA-N 0 3 347.333 3.066 20 10 EGCDHN COC(=O)[C@H]1CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC1 ZINC001233775775 1376713792 /nfs/dbraw/zinc/71/37/92/1376713792.db2.gz BZLYENYYEODWMG-NSHDSACASA-N 0 3 347.333 3.066 20 10 EGCDHN CN(C)CC[C@H](Oc1nc[nH]c2cc(=O)c(O)cc1-2)c1cccs1 ZINC001233949287 1376742398 /nfs/dbraw/zinc/74/23/98/1376742398.db2.gz CHWONOHQIXJQNH-HNNXBMFYSA-N 0 3 345.424 3.174 20 10 EGCDHN COc1ccnc(N2CCN(Cc3ccc(C(C)C)cc3O)CC2)c1 ZINC001237050914 1376972799 /nfs/dbraw/zinc/97/27/99/1376972799.db2.gz FTYGJQUNKOLTJO-UHFFFAOYSA-N 0 3 341.455 3.241 20 10 EGCDHN CC(=O)N1CCC2(C1)CC[NH+](Cc1ccc(C(C)C)cc1[O-])CC2 ZINC001237051644 1376972876 /nfs/dbraw/zinc/97/28/76/1376972876.db2.gz NVKVGMVJTZGDSQ-UHFFFAOYSA-N 0 3 330.472 3.350 20 10 EGCDHN COC[C@@H]1CCCC[N@@H+]1Cc1cc(Br)c(C)cc1[O-] ZINC001237676474 1376982485 /nfs/dbraw/zinc/98/24/85/1376982485.db2.gz IMYRVZUQXMKXAX-ZDUSSCGKSA-N 0 3 328.250 3.464 20 10 EGCDHN COC[C@@H]1CCCC[N@H+]1Cc1cc(Br)c(C)cc1[O-] ZINC001237676474 1376982488 /nfs/dbraw/zinc/98/24/88/1376982488.db2.gz IMYRVZUQXMKXAX-ZDUSSCGKSA-N 0 3 328.250 3.464 20 10 EGCDHN [O-]c1cccc(F)c1C[N@H+]1C[C@H]2[C@@H](CCN2Cc2ccccc2)C1 ZINC001137837545 1377626961 /nfs/dbraw/zinc/62/69/61/1377626961.db2.gz LHTLJAXKWGTCTL-LPHOPBHVSA-N 0 3 326.415 3.238 20 10 EGCDHN [O-]c1cccc(F)c1C[N@@H+]1C[C@H]2[C@@H](CCN2Cc2ccccc2)C1 ZINC001137837545 1377626962 /nfs/dbraw/zinc/62/69/62/1377626962.db2.gz LHTLJAXKWGTCTL-LPHOPBHVSA-N 0 3 326.415 3.238 20 10 EGCDHN COCCCCN1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC001138222289 1377690816 /nfs/dbraw/zinc/69/08/16/1377690816.db2.gz QIOTUOKQHZKFOV-UHFFFAOYSA-N 0 3 345.531 3.221 20 10 EGCDHN CN1CCCc2cc(CN3CCC(N4CCCCC4=O)CC3)ccc21 ZINC001138355818 1377708580 /nfs/dbraw/zinc/70/85/80/1377708580.db2.gz DPNMGZWBHARLPC-UHFFFAOYSA-N 0 3 341.499 3.046 20 10 EGCDHN NC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC001140058946 1377997936 /nfs/dbraw/zinc/99/79/36/1377997936.db2.gz QGWIZGQJLRMZHB-HKUYNNGSSA-N 0 3 342.414 3.155 20 10 EGCDHN NC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC001140058946 1377997937 /nfs/dbraw/zinc/99/79/37/1377997937.db2.gz QGWIZGQJLRMZHB-HKUYNNGSSA-N 0 3 342.414 3.155 20 10 EGCDHN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cc(F)ccc1[O-] ZINC001140057853 1377998365 /nfs/dbraw/zinc/99/83/65/1377998365.db2.gz PUGBHHASUYDFNA-GJZGRUSLSA-N 0 3 336.407 3.115 20 10 EGCDHN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cc(F)ccc1[O-] ZINC001140057853 1377998366 /nfs/dbraw/zinc/99/83/66/1377998366.db2.gz PUGBHHASUYDFNA-GJZGRUSLSA-N 0 3 336.407 3.115 20 10 EGCDHN CCN1CCN(c2ccc(CN3CC[C@@H](C)C(F)(F)C3)cc2)CC1 ZINC001140302008 1378042953 /nfs/dbraw/zinc/04/29/53/1378042953.db2.gz HFISYNLEFSMHLO-MRXNPFEDSA-N 0 3 337.458 3.306 20 10 EGCDHN CC[C@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001273284711 1378094736 /nfs/dbraw/zinc/09/47/36/1378094736.db2.gz KNTWJKWIROJQMF-BBRMVZONSA-N 0 3 334.435 3.048 20 10 EGCDHN COc1cc(CN(C)Cc2cc(C)ccc2O)cc(OC)c1OC ZINC001140623157 1378100513 /nfs/dbraw/zinc/10/05/13/1378100513.db2.gz MDJOQWREIZIOKO-UHFFFAOYSA-N 0 3 331.412 3.358 20 10 EGCDHN Cc1ccc(C[N@@H+]2CC[C@H](C3CN(C(=O)OC(C)(C)C)C3)C2)c([O-])c1 ZINC001140947700 1378188365 /nfs/dbraw/zinc/18/83/65/1378188365.db2.gz BDHKEBOXOUERCZ-HNNXBMFYSA-N 0 3 346.471 3.389 20 10 EGCDHN Cc1ccc(C[N@H+]2CC[C@H](C3CN(C(=O)OC(C)(C)C)C3)C2)c([O-])c1 ZINC001140947700 1378188368 /nfs/dbraw/zinc/18/83/68/1378188368.db2.gz BDHKEBOXOUERCZ-HNNXBMFYSA-N 0 3 346.471 3.389 20 10 EGCDHN COc1ccc([C@@H]2CC[N@H+](Cc3c([O-])cc(OC)cc3OC)C2)cc1 ZINC001141030834 1378212095 /nfs/dbraw/zinc/21/20/95/1378212095.db2.gz MYBRRCITHGAQQQ-OAHLLOKOSA-N 0 3 343.423 3.408 20 10 EGCDHN COc1ccc([C@@H]2CC[N@@H+](Cc3c([O-])cc(OC)cc3OC)C2)cc1 ZINC001141030834 1378212101 /nfs/dbraw/zinc/21/21/01/1378212101.db2.gz MYBRRCITHGAQQQ-OAHLLOKOSA-N 0 3 343.423 3.408 20 10 EGCDHN COc1ccc2c(c1)CN(Cc1c(O)cc(OC)cc1OC)CCC2 ZINC001141031014 1378213763 /nfs/dbraw/zinc/21/37/63/1378213763.db2.gz VLMDKVKDKHWSMA-UHFFFAOYSA-N 0 3 343.423 3.366 20 10 EGCDHN COc1ccc2c(c1)C[N@@H+](Cc1c([O-])cc(OC)cc1OC)CCC2 ZINC001141031014 1378213766 /nfs/dbraw/zinc/21/37/66/1378213766.db2.gz VLMDKVKDKHWSMA-UHFFFAOYSA-N 0 3 343.423 3.366 20 10 EGCDHN COc1ccc2c(c1)C[N@H+](Cc1c([O-])cc(OC)cc1OC)CCC2 ZINC001141031014 1378213769 /nfs/dbraw/zinc/21/37/69/1378213769.db2.gz VLMDKVKDKHWSMA-UHFFFAOYSA-N 0 3 343.423 3.366 20 10 EGCDHN O=C1CC2(CCN(Cc3cc(O)ccc3O)CC2)c2cc(F)ccc21 ZINC001141157458 1378253330 /nfs/dbraw/zinc/25/33/30/1378253330.db2.gz ILTQFNALYPXVQJ-UHFFFAOYSA-N 0 3 341.382 3.357 20 10 EGCDHN CC(C)(C)OC(=O)N1CC[C@@H](N(Cc2cc(O)ccc2O)C2CC2)C1 ZINC001141162817 1378256357 /nfs/dbraw/zinc/25/63/57/1378256357.db2.gz GDLFDYROSGUEOH-OAHLLOKOSA-N 0 3 348.443 3.072 20 10 EGCDHN COc1ccc(N2CCN(Cc3cccc4[nH]cnc43)CC2)c(C)c1 ZINC001142695852 1378479251 /nfs/dbraw/zinc/47/92/51/1378479251.db2.gz BYBHUGXCLRPYRX-UHFFFAOYSA-N 0 3 336.439 3.202 20 10 EGCDHN COC(=O)[C@@H]1C[N@H+](Cc2ccccc2[O-])C[C@H]1c1ccc(F)cc1F ZINC001328041414 1388651705 /nfs/dbraw/zinc/65/17/05/1388651705.db2.gz KRENGJZOAMELMN-JKSUJKDBSA-N 0 3 347.361 3.059 20 10 EGCDHN COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2[O-])C[C@H]1c1ccc(F)cc1F ZINC001328041414 1388651706 /nfs/dbraw/zinc/65/17/06/1388651706.db2.gz KRENGJZOAMELMN-JKSUJKDBSA-N 0 3 347.361 3.059 20 10 EGCDHN [O-]c1c(CNc2ccc3c(n2)CC[NH2+]C3)cc(Cl)c2cccnc12 ZINC001157724828 1381016261 /nfs/dbraw/zinc/01/62/61/1381016261.db2.gz VJZMURZWZVOSAO-UHFFFAOYSA-N 0 3 340.814 3.247 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCCC[C@@H]2N(C)C)c1[O-] ZINC001319952342 1386413655 /nfs/dbraw/zinc/41/36/55/1386413655.db2.gz ZVVYPGZMCMBUIK-CABCVRRESA-N 0 3 341.293 3.426 20 10 EGCDHN C[C@H](NCc1cc(F)c(N(C)C)cc1F)[C@H](O)Cc1ccccc1 ZINC001351330635 1391628105 /nfs/dbraw/zinc/62/81/05/1391628105.db2.gz LBLANYDQSOHYAP-ORAYPTAESA-N 0 3 334.410 3.113 20 10 EGCDHN COc1ccc(N2CCC(NCc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000072283118 216113606 /nfs/dbraw/zinc/11/36/06/216113606.db2.gz LGAZMJBVWFHYCC-UHFFFAOYSA-N 0 3 341.411 3.362 20 10 EGCDHN COc1cc(Cl)cc(CNc2ccc3c(c2)OCCNC3)c1O ZINC000530182835 313491972 /nfs/dbraw/zinc/49/19/72/313491972.db2.gz AMKUHJLNYQGZMT-UHFFFAOYSA-N 0 3 334.803 3.148 20 10 EGCDHN [O-]c1ccccc1C[NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000238102773 455253735 /nfs/dbraw/zinc/25/37/35/455253735.db2.gz NAEKDPJOWDUNRR-SFHVURJKSA-N 0 3 346.858 3.209 20 10 EGCDHN CCc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ccccc3[O-])C2)ncn1 ZINC000183601935 455310145 /nfs/dbraw/zinc/31/01/45/455310145.db2.gz VIKAUABZFBNOSA-HOCLYGCPSA-N 0 3 326.444 3.064 20 10 EGCDHN COc1cccc(C[N@H+](CCO)[C@@H]2CCCc3ccccc32)c1[O-] ZINC000093388575 454711423 /nfs/dbraw/zinc/71/14/23/454711423.db2.gz PNTPDCIWZXGBOP-GOSISDBHSA-N 0 3 327.424 3.273 20 10 EGCDHN COc1cccc(C[N@@H+](CCO)[C@@H]2CCCc3ccccc32)c1[O-] ZINC000093388575 454711428 /nfs/dbraw/zinc/71/14/28/454711428.db2.gz PNTPDCIWZXGBOP-GOSISDBHSA-N 0 3 327.424 3.273 20 10 EGCDHN [O-]c1ccc(Br)cc1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093596835 454722636 /nfs/dbraw/zinc/72/26/36/454722636.db2.gz XRGLDLQHMHSBMZ-ZDUSSCGKSA-N 0 3 339.277 3.072 20 10 EGCDHN CCN(CC)c1ccc(CN2CC[C@H](COCCOC)C2)cc1F ZINC000093754677 454732183 /nfs/dbraw/zinc/73/21/83/454732183.db2.gz HSSBNMBFNVUEEE-KRWDZBQOSA-N 0 3 338.467 3.157 20 10 EGCDHN CCCNC(=O)C1CCN(Cc2ccc(N(CC)CC)cc2)CC1 ZINC000125402672 454819321 /nfs/dbraw/zinc/81/93/21/454819321.db2.gz UZFDOCOJAJWSCF-UHFFFAOYSA-N 0 3 331.504 3.271 20 10 EGCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]Cc2cccnc2)C1 ZINC000113359260 454925002 /nfs/dbraw/zinc/92/50/02/454925002.db2.gz YLVDKZHDGOAWRK-QGZVFWFLSA-N 0 3 331.847 3.195 20 10 EGCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]C2CCSCC2)C1 ZINC000113359271 454925031 /nfs/dbraw/zinc/92/50/31/454925031.db2.gz AFPBMXFADVFHDZ-MRXNPFEDSA-N 0 3 340.920 3.495 20 10 EGCDHN CCN(CC)c1ccc(CNC(=O)C[C@H](N)c2ccccc2)cc1 ZINC000178817594 454981104 /nfs/dbraw/zinc/98/11/04/454981104.db2.gz JUEDQLBAVUHPGD-IBGZPJMESA-N 0 3 325.456 3.239 20 10 EGCDHN CCCNC(=O)C1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000179918078 455098943 /nfs/dbraw/zinc/09/89/43/455098943.db2.gz CVKNQOBISLDSRY-UHFFFAOYSA-N 0 3 343.515 3.415 20 10 EGCDHN C[C@@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnccn1 ZINC000130075703 455141024 /nfs/dbraw/zinc/14/10/24/455141024.db2.gz RDOMTFKLZRBABU-KGLIPLIRSA-N 0 3 348.397 3.398 20 10 EGCDHN C[C@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnccn1 ZINC000130075507 455141172 /nfs/dbraw/zinc/14/11/72/455141172.db2.gz RDOMTFKLZRBABU-KBPBESRZSA-N 0 3 348.397 3.398 20 10 EGCDHN COc1cccc(C[NH2+]C[C@H](c2ccccc2)N2CCCC2)c1[O-] ZINC000237377446 455179270 /nfs/dbraw/zinc/17/92/70/455179270.db2.gz CZSRIFTXGRGODO-GOSISDBHSA-N 0 3 326.440 3.328 20 10 EGCDHN CC[C@H]([NH2+][C@H]1CCN(c2ccccc2OC)C1=O)c1ccccc1[O-] ZINC000183327648 455277715 /nfs/dbraw/zinc/27/77/15/455277715.db2.gz QFPIBBXLUYXEJB-HOTGVXAUSA-N 0 3 340.423 3.247 20 10 EGCDHN C[C@H](C[S@](C)=O)N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000184296381 455369357 /nfs/dbraw/zinc/36/93/57/455369357.db2.gz CCKHHJNUSHVWFG-QLEMLULZSA-N 0 3 326.481 3.234 20 10 EGCDHN CC(C)N(C)c1ccc(CNCc2ccc(N(C)C)c(F)c2)cn1 ZINC000190907494 455402363 /nfs/dbraw/zinc/40/23/63/455402363.db2.gz KKQAJWOHRCERGW-UHFFFAOYSA-N 0 3 330.451 3.421 20 10 EGCDHN CCN(CC)C(=O)C1([NH2+]Cc2cc(OC)ccc2[O-])CCCCC1 ZINC000181987663 455411754 /nfs/dbraw/zinc/41/17/54/455411754.db2.gz WVXCKQKSYMUSOC-UHFFFAOYSA-N 0 3 334.460 3.062 20 10 EGCDHN CCN(CC)C(=O)C1(NCc2cc(OC)ccc2O)CCCCC1 ZINC000181987663 455411757 /nfs/dbraw/zinc/41/17/57/455411757.db2.gz WVXCKQKSYMUSOC-UHFFFAOYSA-N 0 3 334.460 3.062 20 10 EGCDHN COc1ccc([O-])c(C[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)c1 ZINC000184788852 455448158 /nfs/dbraw/zinc/44/81/58/455448158.db2.gz VWBTUUOOCGYNJQ-LJQANCHMSA-N 0 3 327.424 3.174 20 10 EGCDHN COc1ccc([O-])c(C[N@@H+](Cc2ccccc2)[C@H](CO)C2CC2)c1 ZINC000184788852 455448162 /nfs/dbraw/zinc/44/81/62/455448162.db2.gz VWBTUUOOCGYNJQ-LJQANCHMSA-N 0 3 327.424 3.174 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+][C@H](CN2CCOCC2)c2ccccc2)c([O-])c1 ZINC000184904250 455469587 /nfs/dbraw/zinc/46/95/87/455469587.db2.gz NSUFZFKGJHBLLC-FXAWDEMLSA-N 0 3 340.467 3.425 20 10 EGCDHN C[C@H]([NH2+][C@@H](CN1CCOCC1)c1ccccc1)c1cc(F)ccc1[O-] ZINC000184904365 455469853 /nfs/dbraw/zinc/46/98/53/455469853.db2.gz XWIGECJQWRWLRJ-KXBFYZLASA-N 0 3 344.430 3.255 20 10 EGCDHN Cc1ccc([C@H](C[NH2+][C@H](C)c2ccc(C)cc2[O-])N2CCOCC2)o1 ZINC000184909607 455470250 /nfs/dbraw/zinc/47/02/50/455470250.db2.gz MSCDSUYEOBFDCU-AEFFLSMTSA-N 0 3 344.455 3.326 20 10 EGCDHN CCCNC(=O)c1cccc(CN[C@H](C)c2cc(OC)ccc2O)c1 ZINC000185048427 455492188 /nfs/dbraw/zinc/49/21/88/455492188.db2.gz CSQJJQHABQCIGQ-CQSZACIVSA-N 0 3 342.439 3.391 20 10 EGCDHN COc1ccc(O)c(CN(Cc2ccc(O)c(OC)c2)C2CC2)c1 ZINC000191510994 455492258 /nfs/dbraw/zinc/49/22/58/455492258.db2.gz MCCFHPRMAIEHKD-UHFFFAOYSA-N 0 3 329.396 3.280 20 10 EGCDHN CC[C@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1ccccc1[O-] ZINC000185208840 455521624 /nfs/dbraw/zinc/52/16/24/455521624.db2.gz ZYYKABASTPBVGX-FQEVSTJZSA-N 0 3 340.467 3.465 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H]2COc3c(cccc3OC)C2)c1 ZINC000185334624 455542880 /nfs/dbraw/zinc/54/28/80/455542880.db2.gz YPECAXHKOOUJDH-TZMCWYRMSA-N 0 3 329.396 3.064 20 10 EGCDHN COc1cc(OC)cc([C@H](O)C[NH2+][C@H](C)c2ccc(C)cc2[O-])c1 ZINC000185487327 455564473 /nfs/dbraw/zinc/56/44/73/455564473.db2.gz BYSKGUBZNUBUEB-BFUOFWGJSA-N 0 3 331.412 3.102 20 10 EGCDHN CCOc1ccc([O-])c(C[NH2+]C2CCC(O)(c3cccnc3)CC2)c1 ZINC000185700015 455599879 /nfs/dbraw/zinc/59/98/79/455599879.db2.gz MVFFBRANXJDMMC-UHFFFAOYSA-N 0 3 342.439 3.106 20 10 EGCDHN CCS(=O)(=O)c1ccc([C@@H](C)NCc2cccc(OC)c2O)cc1 ZINC000283932810 455613015 /nfs/dbraw/zinc/61/30/15/455613015.db2.gz JFOOCPSMVYYHLG-CYBMUJFWSA-N 0 3 349.452 3.045 20 10 EGCDHN CC(=O)Nc1cccc(OCC[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000185966987 455664712 /nfs/dbraw/zinc/66/47/12/455664712.db2.gz KMSWWPKFMXAKIB-GFCCVEGCSA-N 0 3 332.375 3.219 20 10 EGCDHN COc1ccc(O)c([C@H](C)N[C@@H]2C[C@H](C)N(c3ccccc3)C2=O)c1 ZINC000186081651 455690048 /nfs/dbraw/zinc/69/00/48/455690048.db2.gz HTQGJYYFPNTRHE-SUNYJGFJSA-N 0 3 340.423 3.245 20 10 EGCDHN COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)c2ccc(C)cc2[O-])C1=O ZINC000186102212 455694344 /nfs/dbraw/zinc/69/43/44/455694344.db2.gz VSKDFPKXQKFRRK-GDBMZVCRSA-N 0 3 340.423 3.165 20 10 EGCDHN CC(C)n1nccc1[C@H]1OCC[C@@H]1NCc1ccc(N(C)C)cc1 ZINC000284754210 455735730 /nfs/dbraw/zinc/73/57/30/455735730.db2.gz OECRBOINFZZMID-HKUYNNGSSA-N 0 3 328.460 3.150 20 10 EGCDHN CCC1(O)CCN(Cc2cc(Br)cc(C)c2O)CC1 ZINC000271769267 455753568 /nfs/dbraw/zinc/75/35/68/455753568.db2.gz GAAMAEFXGRYUII-UHFFFAOYSA-N 0 3 328.250 3.200 20 10 EGCDHN CCOc1cccc(CN[C@H](c2cccnc2)C(C)(C)CO)c1O ZINC000293690262 455795017 /nfs/dbraw/zinc/79/50/17/455795017.db2.gz QNLLBPRDLPQPSP-GOSISDBHSA-N 0 3 330.428 3.035 20 10 EGCDHN Cc1cccc(C[NH2+][C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)c1[O-] ZINC000271877091 455795501 /nfs/dbraw/zinc/79/55/01/455795501.db2.gz ZRJJEKDHZVZRFB-FUHWJXTLSA-N 0 3 346.377 3.040 20 10 EGCDHN O=C(NCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-])C1CC1 ZINC000293753509 455796031 /nfs/dbraw/zinc/79/60/31/455796031.db2.gz OIRHAGYCLCMYLD-IBGZPJMESA-N 0 3 338.451 3.182 20 10 EGCDHN CCNC(=O)[C@@H](C)[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000293870584 455799680 /nfs/dbraw/zinc/79/96/80/455799680.db2.gz UXRDVQQDLLOCOZ-CRAIPNDOSA-N 0 3 326.440 3.180 20 10 EGCDHN COc1cccc(C[N@H+](C[C@@H](O)COc2ccccc2)C(C)C)c1[O-] ZINC000278585004 455841804 /nfs/dbraw/zinc/84/18/04/455841804.db2.gz DOMVTXDTVALUGX-QGZVFWFLSA-N 0 3 345.439 3.051 20 10 EGCDHN COc1cccc(C[N@@H+](C[C@@H](O)COc2ccccc2)C(C)C)c1[O-] ZINC000278585004 455841807 /nfs/dbraw/zinc/84/18/07/455841807.db2.gz DOMVTXDTVALUGX-QGZVFWFLSA-N 0 3 345.439 3.051 20 10 EGCDHN CN(Cc1cccs1)c1ccc(CN[C@@H]2C=C[C@H](CO)C2)cc1 ZINC000295345106 455846923 /nfs/dbraw/zinc/84/69/23/455846923.db2.gz IEBVUMLUJXEXDR-DLBZAZTESA-N 0 3 328.481 3.411 20 10 EGCDHN COc1cc(C[NH2+][C@@H]2CCc3cccc([O-])c32)cc(OC)c1OC ZINC000296019821 455866708 /nfs/dbraw/zinc/86/67/08/455866708.db2.gz PIRMSXYGDNJKNF-CQSZACIVSA-N 0 3 329.396 3.195 20 10 EGCDHN CC(=O)N1CCC[C@@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000279621602 455869377 /nfs/dbraw/zinc/86/93/77/455869377.db2.gz AVAWLDMDGDIUBV-KRWDZBQOSA-N 0 3 338.451 3.407 20 10 EGCDHN CC[C@H]([NH2+]CCCNC(=O)c1occc1C)c1ccc(C)cc1[O-] ZINC000279947615 455878252 /nfs/dbraw/zinc/87/82/52/455878252.db2.gz BNSNUIOXGMOSOJ-INIZCTEOSA-N 0 3 330.428 3.463 20 10 EGCDHN CC[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1)c1ccc(C)cc1[O-] ZINC000280056228 455882709 /nfs/dbraw/zinc/88/27/09/455882709.db2.gz JZCYJVRNVPPXTP-OTWHNJEPSA-N 0 3 332.488 3.119 20 10 EGCDHN CC[C@@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1ccc(C)cc1[O-] ZINC000285822126 455922514 /nfs/dbraw/zinc/92/25/14/455922514.db2.gz XFFWWTJIDFQBTM-GDBMZVCRSA-N 0 3 346.393 3.004 20 10 EGCDHN C[C@@](O)(C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])C(F)(F)F ZINC000270478209 455964278 /nfs/dbraw/zinc/96/42/78/455964278.db2.gz JALOLZGJTWFNTG-MRXNPFEDSA-N 0 3 325.330 3.462 20 10 EGCDHN CC(C)NC(=O)CCNCc1ccc(N(C)Cc2cccs2)cc1 ZINC000296530322 455964853 /nfs/dbraw/zinc/96/48/53/455964853.db2.gz SOSJDLVDVRMASH-UHFFFAOYSA-N 0 3 345.512 3.389 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000187986564 455977503 /nfs/dbraw/zinc/97/75/03/455977503.db2.gz JGRZIENFMRXTER-FUHWJXTLSA-N 0 3 327.424 3.222 20 10 EGCDHN CC[C@H](NC[C@H](O)C[NH+]1CCCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287770036 456078298 /nfs/dbraw/zinc/07/82/98/456078298.db2.gz RLIQJGLEZDWWNM-WFASDCNBSA-N 0 3 347.286 3.196 20 10 EGCDHN CCc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1cccc(OC)c1[O-] ZINC000289541851 456129481 /nfs/dbraw/zinc/12/94/81/456129481.db2.gz WWKYDOAWHBPFBB-AWEZNQCLSA-N 0 3 342.439 3.470 20 10 EGCDHN COCC[C@@H](Cc1cccc(F)c1)[NH2+]Cc1cccc(OC)c1[O-] ZINC000289558444 456130133 /nfs/dbraw/zinc/13/01/33/456130133.db2.gz YIKIXAOCGSAOTP-KRWDZBQOSA-N 0 3 333.403 3.277 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c([O-])c1 ZINC000297211850 456151546 /nfs/dbraw/zinc/15/15/46/456151546.db2.gz GRWFOUOWBPKYIR-MKVSYHDVSA-N 0 3 332.444 3.217 20 10 EGCDHN COc1cccc(C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)c1[O-] ZINC000271206519 456171238 /nfs/dbraw/zinc/17/12/38/456171238.db2.gz SMOQTAHKZLZHRT-UHFFFAOYSA-N 0 3 346.471 3.062 20 10 EGCDHN COC[C@]1(C[NH2+][C@H](C)c2ccc(C)cc2[O-])OCCc2ccccc21 ZINC000289982633 456205288 /nfs/dbraw/zinc/20/52/88/456205288.db2.gz XYUAIPVDMNPRAQ-IERDGZPVSA-N 0 3 341.451 3.466 20 10 EGCDHN COc1ccc(C(=O)NCC[NH2+][C@@H](C)c2ccc(C)c(C)c2[O-])cc1 ZINC000273351856 456224414 /nfs/dbraw/zinc/22/44/14/456224414.db2.gz BZFSPGUGTPRNED-HNNXBMFYSA-N 0 3 342.439 3.098 20 10 EGCDHN COc1ccc(OC)c([C@@H](O)C[NH2+][C@@H](C)c2ccc(C)c(C)c2[O-])c1 ZINC000273405988 456229097 /nfs/dbraw/zinc/22/90/97/456229097.db2.gz OMZAKWPZULYBFJ-KSSFIOAISA-N 0 3 345.439 3.410 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]CCNC(=O)c2ccccc2F)c([O-])c1C ZINC000273431117 456229993 /nfs/dbraw/zinc/22/99/93/456229993.db2.gz VRVRZEKSMYKSFM-CQSZACIVSA-N 0 3 330.403 3.229 20 10 EGCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CC(C)(C)NC(C)(C)C2)c1 ZINC000273440185 456231141 /nfs/dbraw/zinc/23/11/41/456231141.db2.gz YGISTQKLZRFXFR-LBPRGKRZSA-N 0 3 334.460 3.139 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)c([O-])c1C ZINC000273476565 456232684 /nfs/dbraw/zinc/23/26/84/456232684.db2.gz KWARFAPDXSJBKH-IPELMVKDSA-N 0 3 332.488 3.037 20 10 EGCDHN COc1cccc(CNCc2ccc(OC)c(OC(F)F)c2)c1O ZINC000237221567 456249920 /nfs/dbraw/zinc/24/99/20/456249920.db2.gz BIMBISPTEJFPGE-UHFFFAOYSA-N 0 3 339.338 3.301 20 10 EGCDHN COc1ccc([O-])c(C[N@H+](Cc2ccccc2)C2CCN(C)CC2)c1 ZINC000290418112 456321864 /nfs/dbraw/zinc/32/18/64/456321864.db2.gz KNRTVFPIOTZFEH-UHFFFAOYSA-N 0 3 340.467 3.497 20 10 EGCDHN COc1ccc([O-])c(C[N@@H+](Cc2ccccc2)C2CCN(C)CC2)c1 ZINC000290418112 456321871 /nfs/dbraw/zinc/32/18/71/456321871.db2.gz KNRTVFPIOTZFEH-UHFFFAOYSA-N 0 3 340.467 3.497 20 10 EGCDHN COc1ccc(N2CCCN(C[C@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000303116547 456446978 /nfs/dbraw/zinc/44/69/78/456446978.db2.gz UMOXEUCFYXHPLH-FQEVSTJZSA-N 0 3 344.430 3.080 20 10 EGCDHN C[C@H]([NH2+]C[C@@H]1CN2CCC[C@H]2CO1)c1ccc2ccccc2c1[O-] ZINC000325761986 456686518 /nfs/dbraw/zinc/68/65/18/456686518.db2.gz BFBXSRBYXNVDJW-BHYGNILZSA-N 0 3 326.440 3.059 20 10 EGCDHN CCNC(=O)C1(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCC1 ZINC000277527123 456852409 /nfs/dbraw/zinc/85/24/09/456852409.db2.gz XWVCWQIQKJUYPQ-UHFFFAOYSA-N 0 3 338.451 3.455 20 10 EGCDHN Cc1nn(C)c2ncc(CNCc3c(C)c4ccccc4n3C)cc12 ZINC000355141329 457344774 /nfs/dbraw/zinc/34/47/74/457344774.db2.gz ZNJKMVSMLCZUHW-UHFFFAOYSA-N 0 3 333.439 3.367 20 10 EGCDHN c1ccc(O[C@H]2CCN(Cc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC000374257012 457548919 /nfs/dbraw/zinc/54/89/19/457548919.db2.gz BWYPPXIPFQGEPW-NRFANRHFSA-N 0 3 338.451 3.177 20 10 EGCDHN C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2cc(Br)ccc2[O-])C1 ZINC000368131634 458014393 /nfs/dbraw/zinc/01/43/93/458014393.db2.gz AXWPYUDAGGQHLK-DOMZBBRYSA-N 0 3 339.277 3.071 20 10 EGCDHN C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2cc(Br)ccc2[O-])C1 ZINC000368131634 458014400 /nfs/dbraw/zinc/01/44/00/458014400.db2.gz AXWPYUDAGGQHLK-DOMZBBRYSA-N 0 3 339.277 3.071 20 10 EGCDHN CO[C@H]1CCC[N@H+](Cc2cc(Br)cc(C)c2[O-])CC1 ZINC000371685644 458033973 /nfs/dbraw/zinc/03/39/73/458033973.db2.gz NJJJPYOWYXXCBX-AWEZNQCLSA-N 0 3 328.250 3.464 20 10 EGCDHN CO[C@H]1CCC[N@@H+](Cc2cc(Br)cc(C)c2[O-])CC1 ZINC000371685644 458033979 /nfs/dbraw/zinc/03/39/79/458033979.db2.gz NJJJPYOWYXXCBX-AWEZNQCLSA-N 0 3 328.250 3.464 20 10 EGCDHN C=Cn1cc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cn1 ZINC000373198332 458426922 /nfs/dbraw/zinc/42/69/22/458426922.db2.gz PPBYJSXRODNOLI-KRWDZBQOSA-N 0 3 346.862 3.097 20 10 EGCDHN Cc1c2ccccc2n(C)c1CNC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000472219724 458774070 /nfs/dbraw/zinc/77/40/70/458774070.db2.gz HLAIIXOHAJKERA-GDBMZVCRSA-N 0 3 342.487 3.111 20 10 EGCDHN C[C@H]1CN(C)c2ccccc2N(C(=O)c2cccc3c2CCNC3)C1 ZINC000662513654 461277734 /nfs/dbraw/zinc/27/77/34/461277734.db2.gz CPINFSQIJOSCND-HNNXBMFYSA-N 0 3 335.451 3.065 20 10 EGCDHN CC(C)[C@@H](C(=O)NCc1ccc2c(c1)CCCN2C)N1CCCCC1 ZINC000729349723 574845499 /nfs/dbraw/zinc/84/54/99/574845499.db2.gz NRXWQTBYBMSDRR-FQEVSTJZSA-N 0 3 343.515 3.196 20 10 EGCDHN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCN(CC3CC3)C2)cc1 ZINC000731018447 575045061 /nfs/dbraw/zinc/04/50/61/575045061.db2.gz SXOSJIZDSLJNAD-IBGZPJMESA-N 0 3 337.467 3.308 20 10 EGCDHN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCCN2CC)cc1F ZINC000731345709 575067216 /nfs/dbraw/zinc/06/72/16/575067216.db2.gz GNKQWFZNBOLKJM-SFHVURJKSA-N 0 3 335.467 3.163 20 10 EGCDHN CCOc1ccc(C[NH2+]CCCN(C(=O)C2CCC2)C2CC2)c([O-])c1 ZINC000731360566 575068076 /nfs/dbraw/zinc/06/80/76/575068076.db2.gz IZMCRLXXWOHDBB-UHFFFAOYSA-N 0 3 346.471 3.062 20 10 EGCDHN Cc1cc([O-])c(C[NH2+]CCCN(C(=O)C2CCC2)C2CC2)cc1C ZINC000742369645 576774391 /nfs/dbraw/zinc/77/43/91/576774391.db2.gz BMHYWFNVYXWLQX-UHFFFAOYSA-N 0 3 330.472 3.280 20 10 EGCDHN CC[C@@H](O)CCCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000742373043 576775156 /nfs/dbraw/zinc/77/51/56/576775156.db2.gz DTENZQNIMXXSJZ-MRXNPFEDSA-N 0 3 335.448 3.226 20 10 EGCDHN CCN(Cc1ccc(N2CCC(OC)CC2)cc1)C[C@H]1CCCO1 ZINC000743272531 576804975 /nfs/dbraw/zinc/80/49/75/576804975.db2.gz XFZLCPJBGCSIPK-HXUWFJFHSA-N 0 3 332.488 3.303 20 10 EGCDHN C[C@H](C(=O)NCc1c(O)ccc2c1CCCC2)N1[C@H](C)CC[C@@H]1C ZINC000743716287 576815169 /nfs/dbraw/zinc/81/51/69/576815169.db2.gz ODMDMRBEFVVVFA-QLFBSQMISA-N 0 3 330.472 3.149 20 10 EGCDHN CCCCCCN(C)CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000743719884 576815301 /nfs/dbraw/zinc/81/53/01/576815301.db2.gz YLMLQOSNMJQZOF-UHFFFAOYSA-N 0 3 332.488 3.399 20 10 EGCDHN CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc([O-])cs1 ZINC000743812890 576816236 /nfs/dbraw/zinc/81/62/36/576816236.db2.gz GHAGIPISODJVLN-MRXNPFEDSA-N 0 3 344.480 3.438 20 10 EGCDHN CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc([O-])cs1 ZINC000743812890 576816237 /nfs/dbraw/zinc/81/62/37/576816237.db2.gz GHAGIPISODJVLN-MRXNPFEDSA-N 0 3 344.480 3.438 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)C(=O)NC(C)C)c1[O-] ZINC000840890802 1321172012 /nfs/dbraw/zinc/17/20/12/1321172012.db2.gz OPPHRJIRRASYLA-QWRGUYRKSA-N 0 3 343.265 3.027 20 10 EGCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccc(F)cc2F)N(C)C)cc1 ZINC000038635187 1291403781 /nfs/dbraw/zinc/40/37/81/1291403781.db2.gz UTNGZRDQACNTRA-SFHVURJKSA-N 0 3 347.409 3.064 20 10 EGCDHN Cc1cc(CNCc2ccc(N3CCC(O)CC3)cc2)cc(Cl)n1 ZINC000827661603 1292352801 /nfs/dbraw/zinc/35/28/01/1292352801.db2.gz CHAPNMDRDWYTIW-UHFFFAOYSA-N 0 3 345.874 3.294 20 10 EGCDHN CC1CCN(c2ccc(CNC(=O)c3ccc4c(c3)CNC4)cc2)CC1 ZINC000828987807 1292525985 /nfs/dbraw/zinc/52/59/85/1292525985.db2.gz FEANZYLEXMAPMU-UHFFFAOYSA-N 0 3 349.478 3.456 20 10 EGCDHN CCC(CC)[C@@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)N1CCOCC1 ZINC000834502936 1293106992 /nfs/dbraw/zinc/10/69/92/1293106992.db2.gz USTQLXXVPLCSOH-QZTJIDSGSA-N 0 3 332.488 3.106 20 10 EGCDHN CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccnc1C)c1ccc(C)cc1[O-] ZINC000834911992 1293175447 /nfs/dbraw/zinc/17/54/47/1293175447.db2.gz PDWWEOONCHJSEB-GOEBONIOSA-N 0 3 327.428 3.472 20 10 EGCDHN C[C@H](NC[C@H]1CC[C@@H](C)O1)c1ccc(N2CCOCC2)cc1Cl ZINC000834915985 1293176064 /nfs/dbraw/zinc/17/60/64/1293176064.db2.gz WDGZRLQTEPCVMO-IJEWVQPXSA-N 0 3 338.879 3.395 20 10 EGCDHN CCCN(CC(=O)N(C)Cc1ccc(F)cc1)Cc1ccccc1O ZINC000114717512 1293176583 /nfs/dbraw/zinc/17/65/83/1293176583.db2.gz ZBDWJYLCZOYQLV-UHFFFAOYSA-N 0 3 344.430 3.402 20 10 EGCDHN C[C@H]1CC[N@H+](Cc2ccccc2[O-])C[C@@H]1CNC(=O)OC(C)(C)C ZINC000835069191 1293198616 /nfs/dbraw/zinc/19/86/16/1293198616.db2.gz KWTYLHAEHVCFKD-HOCLYGCPSA-N 0 3 334.460 3.375 20 10 EGCDHN C[C@H]1CC[N@@H+](Cc2ccccc2[O-])C[C@@H]1CNC(=O)OC(C)(C)C ZINC000835069191 1293198619 /nfs/dbraw/zinc/19/86/19/1293198619.db2.gz KWTYLHAEHVCFKD-HOCLYGCPSA-N 0 3 334.460 3.375 20 10 EGCDHN CC[C@@H](N)C(=O)N(Cc1ccc(N(C)C)cc1)c1ccc(OC)cc1 ZINC000130267795 1293650380 /nfs/dbraw/zinc/65/03/80/1293650380.db2.gz YHSGFQQKOVBNSG-LJQANCHMSA-N 0 3 341.455 3.032 20 10 EGCDHN Cc1ncc([C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(C)n1 ZINC000155305476 1294092001 /nfs/dbraw/zinc/09/20/01/1294092001.db2.gz WLNZKNSYZKCEBP-HUUCEWRRSA-N 0 3 340.471 3.342 20 10 EGCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC(OC(C)=O)CC3)c2c1 ZINC000156831171 1294161381 /nfs/dbraw/zinc/16/13/81/1294161381.db2.gz PTJHGNVUUOASAA-UHFFFAOYSA-N 0 3 329.396 3.082 20 10 EGCDHN COc1cc(Br)cc(C[NH2+][C@H]2CCOC(C)(C)C2)c1[O-] ZINC000160467831 1294268965 /nfs/dbraw/zinc/26/89/65/1294268965.db2.gz AZOVXSQZKFMTBN-LBPRGKRZSA-N 0 3 344.249 3.211 20 10 EGCDHN COc1cc(Br)cc(C[NH2+][C@H](C)CC(C)(C)OC)c1[O-] ZINC000174555076 1294508413 /nfs/dbraw/zinc/50/84/13/1294508413.db2.gz GRBZRELMZMJETA-SNVBAGLBSA-N 0 3 346.265 3.457 20 10 EGCDHN CCN1CCN(c2ccc(CN[C@@H](C)c3ccoc3)cc2F)CC1 ZINC000177972470 1294707476 /nfs/dbraw/zinc/70/74/76/1294707476.db2.gz IYKHIYOVUCNABY-HNNXBMFYSA-N 0 3 331.435 3.411 20 10 EGCDHN CCN1CCN(c2cccc(NC(=O)c3ccc(F)c(F)c3)c2)CC1 ZINC000184268495 1295184652 /nfs/dbraw/zinc/18/46/52/1295184652.db2.gz UIWIBBFMAHLTKC-UHFFFAOYSA-N 0 3 345.393 3.359 20 10 EGCDHN C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1)c1cc(F)ccc1[O-] ZINC000311844315 1297113144 /nfs/dbraw/zinc/11/31/44/1297113144.db2.gz OCOZIZOIZHHCQF-CRAIPNDOSA-N 0 3 344.430 3.083 20 10 EGCDHN CCCOc1ccc(CN[C@@H]2CCCc3c2cnn3CCO)cc1C ZINC000873020906 1297228804 /nfs/dbraw/zinc/22/88/04/1297228804.db2.gz FIJGWBWMXYWONC-GOSISDBHSA-N 0 3 343.471 3.140 20 10 EGCDHN CC(C)(C)OC(=O)N(CC[NH2+][C@H]1CCc2cccc([O-])c21)C1CC1 ZINC000383814664 1297575076 /nfs/dbraw/zinc/57/50/76/1297575076.db2.gz GSAXDDLXHVQHLE-HNNXBMFYSA-N 0 3 332.444 3.369 20 10 EGCDHN [O-]c1cccc(Br)c1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000707144976 1298226724 /nfs/dbraw/zinc/22/67/24/1298226724.db2.gz CIVCXTNHJMPFIX-CYBMUJFWSA-N 0 3 339.277 3.215 20 10 EGCDHN Cc1cccc(O)c1CN1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000876748801 1298956240 /nfs/dbraw/zinc/95/62/40/1298956240.db2.gz HSDLUDKJXXVDTI-UHFFFAOYSA-N 0 3 331.847 3.067 20 10 EGCDHN Cc1cccc([O-])c1C[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000877500277 1299350753 /nfs/dbraw/zinc/35/07/53/1299350753.db2.gz REXMSBDFBRLHMV-INIZCTEOSA-N 0 3 336.229 3.286 20 10 EGCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000877574163 1299409088 /nfs/dbraw/zinc/40/90/88/1299409088.db2.gz BTCIHXKJEXPMFR-HUUCEWRRSA-N 0 3 334.460 3.484 20 10 EGCDHN CC(=O)NC[C@@H]1CCCCN1Cc1ccc(N2CCCCC2)cc1 ZINC000877675779 1299471646 /nfs/dbraw/zinc/47/16/46/1299471646.db2.gz UHDYQKGCBKGQAA-FQEVSTJZSA-N 0 3 329.488 3.168 20 10 EGCDHN CCOc1ccc(C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)c([O-])c1 ZINC000756035037 1300429201 /nfs/dbraw/zinc/42/92/01/1300429201.db2.gz SACRZRICNJFMID-ZAMGYDSWSA-N 0 3 333.453 3.379 20 10 EGCDHN CC(C)(C)OC(=O)Nc1ccc(C[NH2+]Cc2ccccc2[O-])cn1 ZINC000756114148 1300441022 /nfs/dbraw/zinc/44/10/22/1300441022.db2.gz NVHGEXMFZQBGQY-UHFFFAOYSA-N 0 3 329.400 3.424 20 10 EGCDHN C[C@H]([NH2+]CCCN1CCCC1)c1cc(Br)c(F)cc1[O-] ZINC000756358941 1300475952 /nfs/dbraw/zinc/47/59/52/1300475952.db2.gz BKUUINVOZCWABO-NSHDSACASA-N 0 3 345.256 3.430 20 10 EGCDHN COc1ccc([C@H](O)C[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)cc1 ZINC000756381501 1300480890 /nfs/dbraw/zinc/48/08/90/1300480890.db2.gz MCLROTZAQHGGKR-RGYTYGDFSA-N 0 3 331.387 3.411 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ncccc3F)C2)c2c1c(F)ccc2[O-] ZINC000756645356 1300540330 /nfs/dbraw/zinc/54/03/30/1300540330.db2.gz IWWFUEMVNWGIHP-TYNCELHUSA-N 0 3 345.393 3.482 20 10 EGCDHN CC(C)Oc1cccc(CNC(=O)C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000879648515 1300648221 /nfs/dbraw/zinc/64/82/21/1300648221.db2.gz RVPCXGIAJAIIQX-OAHLLOKOSA-N 0 3 342.439 3.146 20 10 EGCDHN C[C@@H]([NH2+]C[C@@H](O)CO[C@@H]1CCCc2ccccc21)c1ccccc1[O-] ZINC000879649297 1300649728 /nfs/dbraw/zinc/64/97/28/1300649728.db2.gz PXVNOFUSYNMFDO-QLVMHMETSA-N 0 3 341.451 3.498 20 10 EGCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)NCc1ccccc1Cl ZINC000879650058 1300650060 /nfs/dbraw/zinc/65/00/60/1300650060.db2.gz ZHINOEHSSVJRQP-CHWSQXEVSA-N 0 3 332.831 3.401 20 10 EGCDHN CC[C@@](C)(CC(=O)OC)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000757918825 1300757845 /nfs/dbraw/zinc/75/78/45/1300757845.db2.gz HILZKJXJBOVIGD-HNNXBMFYSA-N 0 3 344.249 3.285 20 10 EGCDHN COc1cccc(CN[C@@H](Cc2nc(C)no2)c2ccccc2)c1O ZINC000758621359 1300923673 /nfs/dbraw/zinc/92/36/73/1300923673.db2.gz VIBYAIDVLJPQOE-INIZCTEOSA-N 0 3 339.395 3.166 20 10 EGCDHN COc1cc(Cl)cc(CNCc2cccc3c2OCCO3)c1O ZINC000761201578 1301419396 /nfs/dbraw/zinc/41/93/96/1301419396.db2.gz DHIFHVAREWGHRS-UHFFFAOYSA-N 0 3 335.787 3.115 20 10 EGCDHN Cn1ccc(CC[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])n1 ZINC000761225733 1301424576 /nfs/dbraw/zinc/42/45/76/1301424576.db2.gz HLAJNHQWLIJVLM-UHFFFAOYSA-N 0 3 337.423 3.037 20 10 EGCDHN CCOc1ccc(C[NH2+]C[C@@](C)(O)c2cccc(Cl)c2)c([O-])c1 ZINC000764979679 1302180016 /nfs/dbraw/zinc/18/00/16/1302180016.db2.gz NOVROTPRRPPJQR-GOSISDBHSA-N 0 3 335.831 3.442 20 10 EGCDHN C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)c1ccc(F)cc1[O-] ZINC000883290262 1302369981 /nfs/dbraw/zinc/36/99/81/1302369981.db2.gz PNAPMECGNHYFQW-OAHLLOKOSA-N 0 3 343.446 3.134 20 10 EGCDHN CCC[N@H+](Cc1ccc(F)cc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768440891 1302903629 /nfs/dbraw/zinc/90/36/29/1302903629.db2.gz VBPRHQZEDBPCQC-GOSISDBHSA-N 0 3 331.387 3.369 20 10 EGCDHN CCC[N@@H+](Cc1ccc(F)cc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768440891 1302903635 /nfs/dbraw/zinc/90/36/35/1302903635.db2.gz VBPRHQZEDBPCQC-GOSISDBHSA-N 0 3 331.387 3.369 20 10 EGCDHN Cc1nc2c(s1)[C@H]([N@H+](C)Cc1cc3c(cc1[O-])OC[C@H]3O)CCC2 ZINC000768449587 1302909369 /nfs/dbraw/zinc/90/93/69/1302909369.db2.gz WQCFROFOUFEJCE-GDBMZVCRSA-N 0 3 346.452 3.092 20 10 EGCDHN Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1cc3c(cc1[O-])OC[C@H]3O)CCC2 ZINC000768449587 1302909382 /nfs/dbraw/zinc/90/93/82/1302909382.db2.gz WQCFROFOUFEJCE-GDBMZVCRSA-N 0 3 346.452 3.092 20 10 EGCDHN CCOc1ccc(O)c(CN2CCC([C@](C)(O)C(F)(F)F)CC2)c1 ZINC000768532725 1302927473 /nfs/dbraw/zinc/92/74/73/1302927473.db2.gz ORQMFKFGXNJSLG-INIZCTEOSA-N 0 3 347.377 3.316 20 10 EGCDHN CCC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000769209262 1303071385 /nfs/dbraw/zinc/07/13/85/1303071385.db2.gz GRYOLVPEPDHTJU-WBVHZDCISA-N 0 3 349.494 3.409 20 10 EGCDHN CN(C)c1ccc(CNC(C)(C)C(=O)NCC2CCCCC2)cc1 ZINC000769934670 1303195509 /nfs/dbraw/zinc/19/55/09/1303195509.db2.gz TUIQZNJIJUGIQX-UHFFFAOYSA-N 0 3 331.504 3.317 20 10 EGCDHN C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)c1c([O-])cccc1F ZINC000886651531 1303539793 /nfs/dbraw/zinc/53/97/93/1303539793.db2.gz IXBBFXRSMUUWPJ-HNNXBMFYSA-N 0 3 343.446 3.134 20 10 EGCDHN COc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000774479629 1303814908 /nfs/dbraw/zinc/81/49/08/1303814908.db2.gz RFVRHNQJJUFVBG-GJZGRUSLSA-N 0 3 341.455 3.439 20 10 EGCDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)NCCc1cccs1 ZINC000774486739 1303816682 /nfs/dbraw/zinc/81/66/82/1303816682.db2.gz YJBMOJODTKJJKS-GJZGRUSLSA-N 0 3 345.512 3.212 20 10 EGCDHN C[C@H](NCc1ccnc(Cl)c1)c1ccc(N2CCOCC2)cc1 ZINC000775258319 1303931813 /nfs/dbraw/zinc/93/18/13/1303931813.db2.gz XFOAUDWNZHADLK-AWEZNQCLSA-N 0 3 331.847 3.422 20 10 EGCDHN COCCN(Cc1cccs1)Cc1cc(OC)c(OC)cc1O ZINC000775644601 1304002302 /nfs/dbraw/zinc/00/23/02/1304002302.db2.gz QFGBVVKRLJVFSF-UHFFFAOYSA-N 0 3 337.441 3.120 20 10 EGCDHN CN(Cc1ccc(N2CCN(C)CC2)cc1)Cc1ccc(F)cc1F ZINC000775648032 1304004073 /nfs/dbraw/zinc/00/40/73/1304004073.db2.gz NCLSUWCNINQVQO-UHFFFAOYSA-N 0 3 345.437 3.349 20 10 EGCDHN CCCCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000779003709 1304517364 /nfs/dbraw/zinc/51/73/64/1304517364.db2.gz YSKMNFGZXKEEDU-OAHLLOKOSA-N 0 3 336.451 3.440 20 10 EGCDHN CCCCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000779003709 1304517370 /nfs/dbraw/zinc/51/73/70/1304517370.db2.gz YSKMNFGZXKEEDU-OAHLLOKOSA-N 0 3 336.451 3.440 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](C2CC2)N(C)C)c1[O-] ZINC000779004222 1304517569 /nfs/dbraw/zinc/51/75/69/1304517569.db2.gz PBDMBMLVVIKLKY-ABAIWWIYSA-N 0 3 341.293 3.454 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@H](O)C2(C)C)c1[O-] ZINC000779063232 1304525242 /nfs/dbraw/zinc/52/52/42/1304525242.db2.gz CWJKRJDDIAFHGN-XDTLVQLUSA-N 0 3 328.250 3.273 20 10 EGCDHN CN(C)c1ccc([C@@H](CNC(=O)C2CC3(CCC3)C2)N(C)C)cc1 ZINC000891245245 1304998998 /nfs/dbraw/zinc/99/89/98/1304998998.db2.gz BFMROLUQBYAHGF-GOSISDBHSA-N 0 3 329.488 3.052 20 10 EGCDHN CSCC1(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC000891247311 1304999697 /nfs/dbraw/zinc/99/96/97/1304999697.db2.gz UARQHOXCMMEPGZ-QGZVFWFLSA-N 0 3 349.544 3.005 20 10 EGCDHN Cc1sccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248437 1305000738 /nfs/dbraw/zinc/00/07/38/1305000738.db2.gz MNXQOIAJFYUVPC-QGZVFWFLSA-N 0 3 331.485 3.155 20 10 EGCDHN O=C1NCC2(CC[NH+](Cc3cc(-c4ccccc4)ccc3[O-])CC2)O1 ZINC000783721495 1305132405 /nfs/dbraw/zinc/13/24/05/1305132405.db2.gz ASYDGQMCMNPHTM-UHFFFAOYSA-N 0 3 338.407 3.134 20 10 EGCDHN COc1cc([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)ccn1 ZINC000788564146 1305971832 /nfs/dbraw/zinc/97/18/32/1305971832.db2.gz PXBFYJYPDYRAIJ-HOTGVXAUSA-N 0 3 341.455 3.339 20 10 EGCDHN CC(C)N(Cc1ccc(N(C)C)cc1)[C@@H]1CCCN(C(C)C)C1=O ZINC000790266851 1306286575 /nfs/dbraw/zinc/28/65/75/1306286575.db2.gz QSUNMHGKKMHULO-LJQANCHMSA-N 0 3 331.504 3.362 20 10 EGCDHN CSc1ccccc1CN(C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000794653576 1309565639 /nfs/dbraw/zinc/56/56/39/1309565639.db2.gz BLHXODRWKHKFPZ-INIZCTEOSA-N 0 3 331.437 3.172 20 10 EGCDHN CSc1ccccc1C[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000794653576 1309565641 /nfs/dbraw/zinc/56/56/41/1309565641.db2.gz BLHXODRWKHKFPZ-INIZCTEOSA-N 0 3 331.437 3.172 20 10 EGCDHN CSc1ccccc1C[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000794653576 1309565648 /nfs/dbraw/zinc/56/56/48/1309565648.db2.gz BLHXODRWKHKFPZ-INIZCTEOSA-N 0 3 331.437 3.172 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@](C)(O)c2cccc(F)c2)c1[O-] ZINC000896562264 1309916353 /nfs/dbraw/zinc/91/63/53/1309916353.db2.gz AGEPSKSZEZWNKB-QGZVFWFLSA-N 0 3 339.794 3.191 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC(N3CCCOC3=O)CC2)cc1 ZINC000897592190 1310399865 /nfs/dbraw/zinc/39/98/65/1310399865.db2.gz RNAWEZKAKYDTRQ-UHFFFAOYSA-N 0 3 345.487 3.340 20 10 EGCDHN COc1ccc([C@H](NC(C)C)C(=O)N[C@H](C)c2ccccc2O)cc1 ZINC000899182377 1310969969 /nfs/dbraw/zinc/96/99/69/1310969969.db2.gz YXIPIILWYAMLMR-KUHUBIRLSA-N 0 3 342.439 3.317 20 10 EGCDHN Cc1cc(Br)c([O-])c(CN(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000825338185 1320329760 /nfs/dbraw/zinc/32/97/60/1320329760.db2.gz NFVCRBBECLFUQM-CQSZACIVSA-N 0 3 341.293 3.378 20 10 EGCDHN Cc1cc(Br)c([O-])c(CN(C)[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000825338185 1320329764 /nfs/dbraw/zinc/32/97/64/1320329764.db2.gz NFVCRBBECLFUQM-CQSZACIVSA-N 0 3 341.293 3.378 20 10 EGCDHN Cc1cc(Br)c([O-])c(C[N@@H+](C)[C@@H]2CCN(C(C)C)C2)c1 ZINC000825338185 1320329769 /nfs/dbraw/zinc/32/97/69/1320329769.db2.gz NFVCRBBECLFUQM-CQSZACIVSA-N 0 3 341.293 3.378 20 10 EGCDHN Cc1cc(Br)c([O-])c(C[N@H+](C)[C@@H]2CCN(C(C)C)C2)c1 ZINC000825338185 1320329774 /nfs/dbraw/zinc/32/97/74/1320329774.db2.gz NFVCRBBECLFUQM-CQSZACIVSA-N 0 3 341.293 3.378 20 10 EGCDHN C[C@H](N[C@@H]1CCN(c2ccc(F)cc2)C1=O)c1ccc(N(C)C)cc1 ZINC000839564452 1320938315 /nfs/dbraw/zinc/93/83/15/1320938315.db2.gz UQYUIUNPHIQLFG-IFXJQAMLSA-N 0 3 341.430 3.348 20 10 EGCDHN C[C@@H](N[C@@H](C)C(=O)N(C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000839564637 1320938409 /nfs/dbraw/zinc/93/84/09/1320938409.db2.gz WKYIGQRLTTVZOM-CVEARBPZSA-N 0 3 325.456 3.455 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H](CO)C(C)C)c1[O-] ZINC000806169174 1317468048 /nfs/dbraw/zinc/46/80/48/1317468048.db2.gz IQFVAYKLNMYFIZ-NWDGAFQWSA-N 0 3 330.266 3.378 20 10 EGCDHN Cc1ccc(O)c(CNCc2c(Cl)cccc2N2CCOCC2)c1 ZINC000858237348 1328718588 /nfs/dbraw/zinc/71/85/88/1328718588.db2.gz KUENJFKFOYZGDV-UHFFFAOYSA-N 0 3 346.858 3.480 20 10 EGCDHN COC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])C1 ZINC000808690038 1317716635 /nfs/dbraw/zinc/71/66/35/1317716635.db2.gz IZVACQPPOFQUBG-AAEUAGOBSA-N 0 3 326.824 3.235 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](CO)C[C@@H](O)c2ccccc2)c1[O-] ZINC000808707889 1317719172 /nfs/dbraw/zinc/71/91/72/1317719172.db2.gz BRDNKIZXNNUQGP-QANKJYHBSA-N 0 3 349.858 3.489 20 10 EGCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000809750220 1317889928 /nfs/dbraw/zinc/88/99/28/1317889928.db2.gz WHCXWOGYVQIZOX-OAHLLOKOSA-N 0 3 335.444 3.345 20 10 EGCDHN CCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000809750220 1317889935 /nfs/dbraw/zinc/88/99/35/1317889935.db2.gz WHCXWOGYVQIZOX-OAHLLOKOSA-N 0 3 335.444 3.345 20 10 EGCDHN CC[N@H+](CCCN(C)C)Cc1cc(C)cc(Br)c1[O-] ZINC000809750030 1317890125 /nfs/dbraw/zinc/89/01/25/1317890125.db2.gz PCSQTCWFCWXGRH-UHFFFAOYSA-N 0 3 329.282 3.237 20 10 EGCDHN CC[N@@H+](CCCN(C)C)Cc1cc(C)cc(Br)c1[O-] ZINC000809750030 1317890128 /nfs/dbraw/zinc/89/01/28/1317890128.db2.gz PCSQTCWFCWXGRH-UHFFFAOYSA-N 0 3 329.282 3.237 20 10 EGCDHN COc1ccc(CN[C@H]2C[C@@H](C)c3c2c(O)ccc3F)c(OC)n1 ZINC000810260154 1317989568 /nfs/dbraw/zinc/98/95/68/1317989568.db2.gz GHWZMMBGGFFFDR-MFKMUULPSA-N 0 3 332.375 3.282 20 10 EGCDHN COc1ccc(O)c(CN2CCN(c3cccc(F)c3)C[C@H]2C)c1 ZINC000814178666 1318691309 /nfs/dbraw/zinc/69/13/09/1318691309.db2.gz YSIMHCBUHBXQAM-CQSZACIVSA-N 0 3 330.403 3.251 20 10 EGCDHN COc1ccc(O)c(CN2CCN(c3cccc(F)c3)C[C@@H]2C)c1 ZINC000814178665 1318692529 /nfs/dbraw/zinc/69/25/29/1318692529.db2.gz YSIMHCBUHBXQAM-AWEZNQCLSA-N 0 3 330.403 3.251 20 10 EGCDHN CCN(C)c1ccc(CN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1 ZINC000815118698 1318897200 /nfs/dbraw/zinc/89/72/00/1318897200.db2.gz ZMFNJSVIEBTAFS-GOEBONIOSA-N 0 3 330.394 3.135 20 10 EGCDHN CCN(C)c1ccc(CN2CCCC[C@H]2COC(=O)NC2CC2)cc1 ZINC000815119711 1318899318 /nfs/dbraw/zinc/89/93/18/1318899318.db2.gz FNCKCOVECZCKHV-IBGZPJMESA-N 0 3 345.487 3.386 20 10 EGCDHN Cc1cc(C)c([C@H](C)[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)c([O-])c1 ZINC000815579965 1319020631 /nfs/dbraw/zinc/02/06/31/1319020631.db2.gz ZQNFLOWTWQNGAA-WMZOPIPTSA-N 0 3 332.488 3.303 20 10 EGCDHN COc1ccnc(N2CC[NH+](Cc3ccc4ccccc4c3[O-])CC2)c1 ZINC000816503302 1319167948 /nfs/dbraw/zinc/16/79/48/1319167948.db2.gz PBRBYXHDCJVYJH-UHFFFAOYSA-N 0 3 349.434 3.271 20 10 EGCDHN C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000817413857 1319352977 /nfs/dbraw/zinc/35/29/77/1319352977.db2.gz BMQPVAQTZDDNPO-CRAIPNDOSA-N 0 3 327.424 3.316 20 10 EGCDHN C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000817413857 1319352985 /nfs/dbraw/zinc/35/29/85/1319352985.db2.gz BMQPVAQTZDDNPO-CRAIPNDOSA-N 0 3 327.424 3.316 20 10 EGCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000822503364 1320089890 /nfs/dbraw/zinc/08/98/90/1320089890.db2.gz GXKYKTDLCNJYAQ-IBGZPJMESA-N 0 3 334.423 3.488 20 10 EGCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000822503364 1320089892 /nfs/dbraw/zinc/08/98/92/1320089892.db2.gz GXKYKTDLCNJYAQ-IBGZPJMESA-N 0 3 334.423 3.488 20 10 EGCDHN C[NH+](C)[C@@H]1CCCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000825697793 1320355611 /nfs/dbraw/zinc/35/56/11/1320355611.db2.gz JTSQIXDUPYETGJ-CQSZACIVSA-N 0 3 327.266 3.071 20 10 EGCDHN CCN(CC)c1ccc(CN2CC[C@@H](CN3CCCC3=O)C2)cc1F ZINC000827633698 1320463472 /nfs/dbraw/zinc/46/34/72/1320463472.db2.gz BXXBCLARMBCAEA-QGZVFWFLSA-N 0 3 347.478 3.116 20 10 EGCDHN Cc1cc(N(C)C)ccc1CN[C@H]1CCN(C2CCCCC2)C1=O ZINC000840936273 1321180715 /nfs/dbraw/zinc/18/07/15/1321180715.db2.gz HYUVJSMZQRAJAB-IBGZPJMESA-N 0 3 329.488 3.084 20 10 EGCDHN COc1cc(Br)cc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H]2C)c1[O-] ZINC000840964854 1321189197 /nfs/dbraw/zinc/18/91/97/1321189197.db2.gz WDUXAYKBAZJDOF-MXWKQRLJSA-N 0 3 344.249 3.066 20 10 EGCDHN CC[C@@](C[NH2+]Cc1cc(F)ccc1[O-])(C(=O)OC)c1ccccc1 ZINC000840976729 1321192305 /nfs/dbraw/zinc/19/23/05/1321192305.db2.gz FCUWCGMWTCAGSA-IBGZPJMESA-N 0 3 331.387 3.142 20 10 EGCDHN COc1cc(Br)cc(C[NH2+]C[C@@H](CC(C)C)OC)c1[O-] ZINC000841888727 1321326647 /nfs/dbraw/zinc/32/66/47/1321326647.db2.gz OTFJDXSGEHGOHX-CYBMUJFWSA-N 0 3 346.265 3.314 20 10 EGCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCS[C@H]2C)c1[O-] ZINC000842778036 1321431129 /nfs/dbraw/zinc/43/11/29/1321431129.db2.gz DJZATBKUICSGHQ-GZMMTYOYSA-N 0 3 332.263 3.147 20 10 EGCDHN COc1ccc(C[NH2+]Cc2cn(-c3cccc(C)c3)nc2C)c([O-])c1 ZINC000845966754 1321759454 /nfs/dbraw/zinc/75/94/54/1321759454.db2.gz JTFWJZQGPSPNSQ-UHFFFAOYSA-N 0 3 337.423 3.493 20 10 EGCDHN COCCOc1ccccc1CN[C@H](C)c1cccc(OC)c1O ZINC000846141830 1321770548 /nfs/dbraw/zinc/77/05/48/1321770548.db2.gz ADGHAGQTTBYBGS-CQSZACIVSA-N 0 3 331.412 3.277 20 10 EGCDHN CCc1cccc(CN[C@@H](C)CS(=O)(=O)c2ccc(C)cc2)c1O ZINC000848904541 1322040063 /nfs/dbraw/zinc/04/00/63/1322040063.db2.gz WXEWHCLGEXWUCB-HNNXBMFYSA-N 0 3 347.480 3.215 20 10 EGCDHN CCOc1ccc(O)c(CNCc2cccnc2N2CCCC2)c1 ZINC000850353066 1322232405 /nfs/dbraw/zinc/23/24/05/1322232405.db2.gz RMERSHAWIJDZHM-UHFFFAOYSA-N 0 3 327.428 3.076 20 10 EGCDHN COc1ccc(N2CC[C@@H](CNCc3c(Cl)c(C)nn3C)C2)cc1 ZINC000922196312 1322476694 /nfs/dbraw/zinc/47/66/94/1322476694.db2.gz KXGLWRUCBLOHMO-AWEZNQCLSA-N 0 3 348.878 3.007 20 10 EGCDHN c1cc(CC2CN(Cc3ccc(N4CCOCC4)cc3)C2)cs1 ZINC000857067873 1325566053 /nfs/dbraw/zinc/56/60/53/1325566053.db2.gz HEYSNGXMFQCFHW-UHFFFAOYSA-N 0 3 328.481 3.259 20 10 EGCDHN COc1cc(CN[C@H](C)[C@@H](O)C(F)(F)F)c(O)c(C(C)(C)C)c1 ZINC000865710397 1329731492 /nfs/dbraw/zinc/73/14/92/1329731492.db2.gz BMAIPJWSJXILRN-YMTOWFKASA-N 0 3 335.366 3.100 20 10 EGCDHN O=C(c1ccco1)N1CCC2(C1)CC[NH+](Cc1ccccc1[O-])CC2 ZINC001203552090 1370166975 /nfs/dbraw/zinc/16/69/75/1370166975.db2.gz ZRJGRKLFIVSWGO-UHFFFAOYSA-N 0 3 340.423 3.114 20 10 EGCDHN COc1ccc(Cl)cc1N1CCN(Cc2ccccc2O)CC1 ZINC001203555736 1370168168 /nfs/dbraw/zinc/16/81/68/1370168168.db2.gz GJBJWIGEIRTQBD-UHFFFAOYSA-N 0 3 332.831 3.376 20 10 EGCDHN [O-]c1ccccc1C[NH+]1CCC(c2nc(-c3cccnc3)no2)CC1 ZINC001203556432 1370168280 /nfs/dbraw/zinc/16/82/80/1370168280.db2.gz PWLRYSODIINVKA-UHFFFAOYSA-N 0 3 336.395 3.217 20 10 EGCDHN COc1ccc(CN2CCN(c3ccc(C)cc3C)CC2)c(O)c1 ZINC001203629220 1370193022 /nfs/dbraw/zinc/19/30/22/1370193022.db2.gz SYLFXETYSIZLOL-UHFFFAOYSA-N 0 3 326.440 3.340 20 10 EGCDHN CCOC[C@H]1COCCC12CC[NH+](Cc1ccc(OC)cc1[O-])CC2 ZINC001203631077 1370193756 /nfs/dbraw/zinc/19/37/56/1370193756.db2.gz ZCTFRDKQDJUEHR-KRWDZBQOSA-N 0 3 349.471 3.056 20 10 EGCDHN [O-]c1ccc(Cl)cc1C[N@H+]1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001203655716 1370203373 /nfs/dbraw/zinc/20/33/73/1370203373.db2.gz BHUUKMPKRKVVAP-CALCHBBNSA-N 0 3 343.858 3.004 20 10 EGCDHN [O-]c1ccc(Cl)cc1C[N@@H+]1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001203655716 1370203376 /nfs/dbraw/zinc/20/33/76/1370203376.db2.gz BHUUKMPKRKVVAP-CALCHBBNSA-N 0 3 343.858 3.004 20 10 EGCDHN CN(CCc1cccc(C(F)(F)F)n1)Cc1ccc(O)c(O)c1 ZINC001203875354 1370296415 /nfs/dbraw/zinc/29/64/15/1370296415.db2.gz MHEOEQQFBPLRIY-UHFFFAOYSA-N 0 3 326.318 3.186 20 10 EGCDHN CCCCN(CCCC)c1ccc(CN2C[C@@H](F)[C@@H](N)C2)c(O)c1 ZINC001204837115 1370587073 /nfs/dbraw/zinc/58/70/73/1370587073.db2.gz RNSVOJWWJTXSDN-MSOLQXFVSA-N 0 3 337.483 3.280 20 10 EGCDHN COC(=O)COc1ccc([C@H](C)NCc2ccc(OC)c(C)c2)cc1 ZINC001119819519 1371409052 /nfs/dbraw/zinc/40/90/52/1371409052.db2.gz NWTLCKWSZGYHLP-HNNXBMFYSA-N 0 3 343.423 3.406 20 10 EGCDHN C[C@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)c1cccc(O)c1 ZINC001326562212 1388240444 /nfs/dbraw/zinc/24/04/44/1388240444.db2.gz RAIYBJSDCMFAAL-HNNXBMFYSA-N 0 3 343.446 3.134 20 10 EGCDHN [O-]c1cccc(Br)c1CN1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222390401 1373834217 /nfs/dbraw/zinc/83/42/17/1373834217.db2.gz PDVFUNPQPKUTIH-INIZCTEOSA-N 0 3 339.277 3.263 20 10 EGCDHN Cc1cc(C)c(CN2CCN(CCOc3ccccc3)CC2)c(O)c1 ZINC001231846057 1376325488 /nfs/dbraw/zinc/32/54/88/1376325488.db2.gz ZRAYITGUHYJNHQ-UHFFFAOYSA-N 0 3 340.467 3.206 20 10 EGCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](Oc3cnccn3)C2)cc1Cl ZINC001231872214 1376332527 /nfs/dbraw/zinc/33/25/27/1376332527.db2.gz XTTNHVINVYQRAN-AWEZNQCLSA-N 0 3 333.819 3.187 20 10 EGCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H](Oc3cnccn3)C2)cc1Cl ZINC001231872214 1376332535 /nfs/dbraw/zinc/33/25/35/1376332535.db2.gz XTTNHVINVYQRAN-AWEZNQCLSA-N 0 3 333.819 3.187 20 10 EGCDHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccc2ncoc2c1 ZINC001232942363 1376542818 /nfs/dbraw/zinc/54/28/18/1376542818.db2.gz WUWXAHQCLVQQCS-UHFFFAOYSA-N 0 3 337.423 3.296 20 10 EGCDHN C[C@@H]1C[C@H](O)C[N@@H+]1Cc1c([O-])ccc2cc(Br)ccc21 ZINC001233193907 1376583674 /nfs/dbraw/zinc/58/36/74/1376583674.db2.gz HGVZKMFAACCKAE-MFKMUULPSA-N 0 3 336.229 3.263 20 10 EGCDHN C[C@@H]1C[C@H](O)C[N@H+]1Cc1c([O-])ccc2cc(Br)ccc21 ZINC001233193907 1376583676 /nfs/dbraw/zinc/58/36/76/1376583676.db2.gz HGVZKMFAACCKAE-MFKMUULPSA-N 0 3 336.229 3.263 20 10 EGCDHN COc1cc(Cl)cc(CN2CCC(c3ncccn3)CC2)c1O ZINC001233290212 1376606420 /nfs/dbraw/zinc/60/64/20/1376606420.db2.gz OXIXEMXAWHJFRY-UHFFFAOYSA-N 0 3 333.819 3.224 20 10 EGCDHN C[C@]1(CO)CCC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC1 ZINC001233727661 1376703297 /nfs/dbraw/zinc/70/32/97/1376703297.db2.gz NVLYEQVFWVJXOE-HNNXBMFYSA-N 0 3 333.350 3.275 20 10 EGCDHN C[C@]1(CO)CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC1 ZINC001233727661 1376703314 /nfs/dbraw/zinc/70/33/14/1376703314.db2.gz NVLYEQVFWVJXOE-HNNXBMFYSA-N 0 3 333.350 3.275 20 10 EGCDHN [O-]c1c(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)cccc1OC(F)(F)F ZINC001233728214 1376703991 /nfs/dbraw/zinc/70/39/91/1376703991.db2.gz UKWMURMULVKZCN-DGCLKSJQSA-N 0 3 331.334 3.292 20 10 EGCDHN [O-]c1c(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)cccc1OC(F)(F)F ZINC001233728214 1376703993 /nfs/dbraw/zinc/70/39/93/1376703993.db2.gz UKWMURMULVKZCN-DGCLKSJQSA-N 0 3 331.334 3.292 20 10 EGCDHN [O-]c1c(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)cccc1OC(F)(F)F ZINC001233736040 1376706483 /nfs/dbraw/zinc/70/64/83/1376706483.db2.gz BSOAQPJQQMHABU-FZMZJTMJSA-N 0 3 331.334 3.292 20 10 EGCDHN [O-]c1c(C[N@H+]2CC[C@@H]3CCCO[C@H]3C2)cccc1OC(F)(F)F ZINC001233736040 1376706497 /nfs/dbraw/zinc/70/64/97/1376706497.db2.gz BSOAQPJQQMHABU-FZMZJTMJSA-N 0 3 331.334 3.292 20 10 EGCDHN COC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233768174 1376711973 /nfs/dbraw/zinc/71/19/73/1376711973.db2.gz LJEYQHYIFLFIPS-FUNVUKJBSA-N 0 3 331.334 3.433 20 10 EGCDHN COC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233768174 1376711977 /nfs/dbraw/zinc/71/19/77/1376711977.db2.gz LJEYQHYIFLFIPS-FUNVUKJBSA-N 0 3 331.334 3.433 20 10 EGCDHN CC(C)c1ccc(CN2CCN(CCc3ccccn3)CC2)c(O)c1 ZINC001237053915 1376971664 /nfs/dbraw/zinc/97/16/64/1376971664.db2.gz QZFUQTMPGOXNQB-UHFFFAOYSA-N 0 3 339.483 3.271 20 10 EGCDHN CN1CCCc2cc(CN3CC[C@@H](N4CCCCC4)[C@@H](F)C3)ccc21 ZINC001138359713 1377709193 /nfs/dbraw/zinc/70/91/93/1377709193.db2.gz GSFIKAVOBSVADB-PZJWPPBQSA-N 0 3 345.506 3.467 20 10 EGCDHN COC(=O)c1ccc2c(c1)CCN(Cc1ccc(N(C)C)c(C)c1)C2 ZINC001139669646 1377930645 /nfs/dbraw/zinc/93/06/45/1377930645.db2.gz FSSZLCHXQNAWRL-UHFFFAOYSA-N 0 3 338.451 3.406 20 10 EGCDHN C[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1cccc(-c2nnn[n-]2)c1 ZINC001139854158 1377963220 /nfs/dbraw/zinc/96/32/20/1377963220.db2.gz WTNJXLIHFGRWPC-UHFFFAOYSA-N 0 3 348.454 3.099 20 10 EGCDHN C[N@@H+](Cc1ccc(N2CCCC2)cc1)Cc1cccc(-c2nnn[n-]2)c1 ZINC001139854158 1377963221 /nfs/dbraw/zinc/96/32/21/1377963221.db2.gz WTNJXLIHFGRWPC-UHFFFAOYSA-N 0 3 348.454 3.099 20 10 EGCDHN C[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001139854158 1377963223 /nfs/dbraw/zinc/96/32/23/1377963223.db2.gz WTNJXLIHFGRWPC-UHFFFAOYSA-N 0 3 348.454 3.099 20 10 EGCDHN C[N@@H+](Cc1ccc(N2CCCC2)cc1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001139854158 1377963224 /nfs/dbraw/zinc/96/32/24/1377963224.db2.gz WTNJXLIHFGRWPC-UHFFFAOYSA-N 0 3 348.454 3.099 20 10 EGCDHN O=C(OCc1ccccc1)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140056318 1377998212 /nfs/dbraw/zinc/99/82/12/1377998212.db2.gz QSVOLQFSALBBFC-MRXNPFEDSA-N 0 3 343.398 3.487 20 10 EGCDHN O=C(OCc1ccccc1)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140056318 1377998214 /nfs/dbraw/zinc/99/82/14/1377998214.db2.gz QSVOLQFSALBBFC-MRXNPFEDSA-N 0 3 343.398 3.487 20 10 EGCDHN C[N@H+](CCCCNC(=O)OC(C)(C)C)Cc1cc(F)ccc1[O-] ZINC001140060168 1377998466 /nfs/dbraw/zinc/99/84/66/1377998466.db2.gz NRVWKJOHFBOJMH-UHFFFAOYSA-N 0 3 326.412 3.268 20 10 EGCDHN C[N@@H+](CCCCNC(=O)OC(C)(C)C)Cc1cc(F)ccc1[O-] ZINC001140060168 1377998467 /nfs/dbraw/zinc/99/84/67/1377998467.db2.gz NRVWKJOHFBOJMH-UHFFFAOYSA-N 0 3 326.412 3.268 20 10 EGCDHN CC(C)[N@H+](Cc1c([O-])cccc1Br)C1CCN(C)CC1 ZINC001140102424 1378007797 /nfs/dbraw/zinc/00/77/97/1378007797.db2.gz QKOJRNDTLNLQOX-UHFFFAOYSA-N 0 3 341.293 3.459 20 10 EGCDHN CC(C)[N@@H+](Cc1c([O-])cccc1Br)C1CCN(C)CC1 ZINC001140102424 1378007798 /nfs/dbraw/zinc/00/77/98/1378007798.db2.gz QKOJRNDTLNLQOX-UHFFFAOYSA-N 0 3 341.293 3.459 20 10 EGCDHN CC[N@H+](Cc1ccccc1[O-])Cc1ccccc1-c1cnc(N)nc1 ZINC001140325534 1378046023 /nfs/dbraw/zinc/04/60/23/1378046023.db2.gz QWGRYQXWIOYZGV-UHFFFAOYSA-N 0 3 334.423 3.454 20 10 EGCDHN CC[N@@H+](Cc1ccccc1[O-])Cc1ccccc1-c1cnc(N)nc1 ZINC001140325534 1378046024 /nfs/dbraw/zinc/04/60/24/1378046024.db2.gz QWGRYQXWIOYZGV-UHFFFAOYSA-N 0 3 334.423 3.454 20 10 EGCDHN CC[C@H](C)N1CC[C@@]2(CCC[N@H+](Cc3ccccc3[O-])CC2)C1=O ZINC001272618307 1378076242 /nfs/dbraw/zinc/07/62/42/1378076242.db2.gz FMADWRYQNBUREV-JXFKEZNVSA-N 0 3 330.472 3.395 20 10 EGCDHN CC[C@H](C)N1CC[C@@]2(CCC[N@@H+](Cc3ccccc3[O-])CC2)C1=O ZINC001272618307 1378076246 /nfs/dbraw/zinc/07/62/46/1378076246.db2.gz FMADWRYQNBUREV-JXFKEZNVSA-N 0 3 330.472 3.395 20 10 EGCDHN CC[C@@H](C)N1CC2(CCC1=O)CC[NH+](Cc1ccccc1[O-])CC2 ZINC001272618681 1378076790 /nfs/dbraw/zinc/07/67/90/1378076790.db2.gz MSALTPAQCGLRFV-MRXNPFEDSA-N 0 3 330.472 3.395 20 10 EGCDHN Cc1ccc(C[N@@H+]2CC[C@]3(CCN(c4ccsc4)C3=O)C2)c([O-])c1 ZINC001140952232 1378190576 /nfs/dbraw/zinc/19/05/76/1378190576.db2.gz JIMRVBHNEXTYBQ-IBGZPJMESA-N 0 3 342.464 3.391 20 10 EGCDHN Cc1ccc(C[N@H+]2CC[C@]3(CCN(c4ccsc4)C3=O)C2)c([O-])c1 ZINC001140952232 1378190579 /nfs/dbraw/zinc/19/05/79/1378190579.db2.gz JIMRVBHNEXTYBQ-IBGZPJMESA-N 0 3 342.464 3.391 20 10 EGCDHN CCOC(=O)C1CCN(Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141075029 1378232890 /nfs/dbraw/zinc/23/28/90/1378232890.db2.gz IPBFCKYTIXHXSS-UHFFFAOYSA-N 0 3 342.483 3.161 20 10 EGCDHN CCOC(=O)C1(CC)CCN(Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141144173 1378248565 /nfs/dbraw/zinc/24/85/65/1378248565.db2.gz CNAXUNXWTLJLSN-UHFFFAOYSA-N 0 3 346.471 3.071 20 10 EGCDHN COc1ccc([C@@H]2CCCN2Cc2cc(O)ccc2O)cc1OC ZINC001141158767 1378252809 /nfs/dbraw/zinc/25/28/09/1378252809.db2.gz MTLRNWWTAWCRIW-INIZCTEOSA-N 0 3 329.396 3.452 20 10 EGCDHN O=C(OC1CCC([NH2+]Cc2cccc(O)c2[O-])CC1)c1ccccc1 ZINC001169281901 1384131636 /nfs/dbraw/zinc/13/16/36/1384131636.db2.gz PAZQSYMASRXQFO-UHFFFAOYSA-N 0 3 341.407 3.356 20 10 EGCDHN CN(C)Cc1cccc(NCc2cc(Br)ccc2O)n1 ZINC001171175344 1384461173 /nfs/dbraw/zinc/46/11/73/1384461173.db2.gz LRAJXGRGQVZHDE-UHFFFAOYSA-N 0 3 336.233 3.223 20 10 EGCDHN COc1ccc(N2CCN([C@H](C)CCOC(C)C)CC2)c(OC)c1 ZINC001172453850 1384796239 /nfs/dbraw/zinc/79/62/39/1384796239.db2.gz GYSSRKAAOBICEW-MRXNPFEDSA-N 0 3 336.476 3.029 20 10 EGCDHN O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1cccc(O)c1[O-])CC2 ZINC001172901502 1384874379 /nfs/dbraw/zinc/87/43/79/1384874379.db2.gz ITYIBJBUZWEJSW-OAHLLOKOSA-N 0 3 328.368 3.043 20 10 EGCDHN O[C@H]([C@@H]1CCCN1Cc1ccc(N2CCCC2)cc1)C(F)(F)F ZINC001319951104 1386412343 /nfs/dbraw/zinc/41/23/43/1386412343.db2.gz YFXKOISZZQTFEM-JKSUJKDBSA-N 0 3 328.378 3.174 20 10 EGCDHN C[C@@H]([NH2+][C@@H]1CCCN(C(=O)c2ccccc2)C1)c1cc(F)ccc1[O-] ZINC001321027026 1386787042 /nfs/dbraw/zinc/78/70/42/1386787042.db2.gz ICAHJKPINALYLD-RHSMWYFYSA-N 0 3 342.414 3.487 20 10 EGCDHN C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593219905 994304274 /nfs/dbraw/zinc/30/42/74/994304274.db2.gz PNXKFQIVWUFDKA-VZDIAYEVSA-N 0 3 332.444 3.148 20 10 EGCDHN [O-]c1ccc2ccccc2c1C[NH+]1CCN(Cc2ccncc2)CC1 ZINC000021741638 212245746 /nfs/dbraw/zinc/24/57/46/212245746.db2.gz LNTPONITTOOIKJ-UHFFFAOYSA-N 0 3 333.435 3.258 20 10 EGCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000180800209 455246875 /nfs/dbraw/zinc/24/68/75/455246875.db2.gz JHBMBHGRKQRWRX-CYBMUJFWSA-N 0 3 325.334 3.445 20 10 EGCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000180800209 455246880 /nfs/dbraw/zinc/24/68/80/455246880.db2.gz JHBMBHGRKQRWRX-CYBMUJFWSA-N 0 3 325.334 3.445 20 10 EGCDHN CCN(CC)c1ccc(CN2CCOCC3(CCOCC3)C2)cc1 ZINC000183267260 455265661 /nfs/dbraw/zinc/26/56/61/455265661.db2.gz JFSYUWBEQIPQDP-UHFFFAOYSA-N 0 3 332.488 3.162 20 10 EGCDHN COc1ccc([C@@H](C[NH2+][C@@H](C)c2ccccc2[O-])N(C)C)cc1OC ZINC000183591608 455309189 /nfs/dbraw/zinc/30/91/89/455309189.db2.gz XGZMDCFAJOXBRR-WMLDXEAASA-N 0 3 344.455 3.363 20 10 EGCDHN C[C@@H]1CCCN(C(=O)C2CCN(Cc3ccc(N(C)C)cc3)CC2)C1 ZINC000091949047 454492818 /nfs/dbraw/zinc/49/28/18/454492818.db2.gz DYSOCQUFYKVQPH-QGZVFWFLSA-N 0 3 343.515 3.223 20 10 EGCDHN CCOc1cccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c1[O-] ZINC000091958274 454494551 /nfs/dbraw/zinc/49/45/51/454494551.db2.gz PLLXPLAVLZKWKE-CVEARBPZSA-N 0 3 331.412 3.472 20 10 EGCDHN CCOc1cccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c1[O-] ZINC000091958274 454494556 /nfs/dbraw/zinc/49/45/56/454494556.db2.gz PLLXPLAVLZKWKE-CVEARBPZSA-N 0 3 331.412 3.472 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC(Cn3ccnn3)CC2)cc1F ZINC000092098224 454520945 /nfs/dbraw/zinc/52/09/45/454520945.db2.gz BLROZIUCFZEDHO-UHFFFAOYSA-N 0 3 345.466 3.176 20 10 EGCDHN CCCOc1ccc(C[N@@H+]2CCCN(c3nccs3)CC2)c([O-])c1 ZINC000092482900 454573362 /nfs/dbraw/zinc/57/33/62/454573362.db2.gz CUMXMXWRTSZAIC-UHFFFAOYSA-N 0 3 347.484 3.350 20 10 EGCDHN CCCOc1ccc(C[N@H+]2CCCN(c3nccs3)CC2)c([O-])c1 ZINC000092482900 454573365 /nfs/dbraw/zinc/57/33/65/454573365.db2.gz CUMXMXWRTSZAIC-UHFFFAOYSA-N 0 3 347.484 3.350 20 10 EGCDHN Nc1ccc(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC000160433269 455458273 /nfs/dbraw/zinc/45/82/73/455458273.db2.gz JEYUYGFYVPUFLF-OAHLLOKOSA-N 0 3 327.403 3.259 20 10 EGCDHN COc1cccc(CN2CCCN(Cc3ccc(F)cc3)CC2)c1O ZINC000123170982 454610110 /nfs/dbraw/zinc/61/01/10/454610110.db2.gz NOGNVCHCJHIFLB-UHFFFAOYSA-N 0 3 344.430 3.248 20 10 EGCDHN Cc1ccc(O)c(CN2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c1 ZINC000092704725 454614223 /nfs/dbraw/zinc/61/42/23/454614223.db2.gz IJLJOZRNJOMZLS-QGZVFWFLSA-N 0 3 343.402 3.236 20 10 EGCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c1 ZINC000092704725 454614229 /nfs/dbraw/zinc/61/42/29/454614229.db2.gz IJLJOZRNJOMZLS-QGZVFWFLSA-N 0 3 343.402 3.236 20 10 EGCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c1 ZINC000092704725 454614231 /nfs/dbraw/zinc/61/42/31/454614231.db2.gz IJLJOZRNJOMZLS-QGZVFWFLSA-N 0 3 343.402 3.236 20 10 EGCDHN C[C@@H](NCc1ccc(N2CCCCC2)cc1)C(=O)NCc1ccco1 ZINC000111399561 454863591 /nfs/dbraw/zinc/86/35/91/454863591.db2.gz WLROJHUVMAWJSK-MRXNPFEDSA-N 0 3 341.455 3.064 20 10 EGCDHN C[C@H]([NH2+]C1CCN(C2CC2)CC1)c1ccc(Br)cc1[O-] ZINC000184913217 455471748 /nfs/dbraw/zinc/47/17/48/455471748.db2.gz PTESCXVSFSUDHO-NSHDSACASA-N 0 3 339.277 3.432 20 10 EGCDHN COc1cccc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1O ZINC000154265677 454879153 /nfs/dbraw/zinc/87/91/53/454879153.db2.gz MTMSOEZSDUTQGX-UHFFFAOYSA-N 0 3 328.368 3.474 20 10 EGCDHN C[C@@H](NCc1cccc(O)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000154458419 454899116 /nfs/dbraw/zinc/89/91/16/454899116.db2.gz VGHCLTPMCNLADS-CQSZACIVSA-N 0 3 330.403 3.219 20 10 EGCDHN C[C@H](N[C@H]1CCCCNC1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000177872862 454914246 /nfs/dbraw/zinc/91/42/46/454914246.db2.gz ANDHUEZXAHWKEH-YOEHRIQHSA-N 0 3 333.451 3.135 20 10 EGCDHN C[C@@H]1CN(CCC2CC[NH+](Cc3ccccc3[O-])CC2)C[C@@H](C)O1 ZINC000179584099 455060766 /nfs/dbraw/zinc/06/07/66/455060766.db2.gz QGGRMNCBLGIOIK-IAGOWNOFSA-N 0 3 332.488 3.104 20 10 EGCDHN CCOC[C@H](O)C[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000179645381 455063761 /nfs/dbraw/zinc/06/37/61/455063761.db2.gz FVGQFASJMQBKLG-QFBILLFUSA-N 0 3 329.440 3.353 20 10 EGCDHN CCOC[C@H](O)C[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000179645381 455063764 /nfs/dbraw/zinc/06/37/64/455063764.db2.gz FVGQFASJMQBKLG-QFBILLFUSA-N 0 3 329.440 3.353 20 10 EGCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc1C ZINC000179777671 455077877 /nfs/dbraw/zinc/07/78/77/455077877.db2.gz KGODWXYRJRWVET-MRXNPFEDSA-N 0 3 336.439 3.431 20 10 EGCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc1C ZINC000179777671 455077879 /nfs/dbraw/zinc/07/78/79/455077879.db2.gz KGODWXYRJRWVET-MRXNPFEDSA-N 0 3 336.439 3.431 20 10 EGCDHN C[C@@H](NCC(=O)N(C)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000119085759 455124023 /nfs/dbraw/zinc/12/40/23/455124023.db2.gz FHYNLYXJXWIZLD-MRXNPFEDSA-N 0 3 325.456 3.062 20 10 EGCDHN COc1cc(OC)c(CC[NH2+][C@@H](C)c2ccccc2[O-])c(OC)c1 ZINC000183504021 455300587 /nfs/dbraw/zinc/30/05/87/455300587.db2.gz FEFSJYUUATXUNW-ZDUSSCGKSA-N 0 3 331.412 3.311 20 10 EGCDHN C[C@H]1CN(c2ccc(CNCc3cccn3C)cc2F)C[C@H](C)O1 ZINC000265660616 455357698 /nfs/dbraw/zinc/35/76/98/455357698.db2.gz RLXPXEHDCHBGSP-GJZGRUSLSA-N 0 3 331.435 3.068 20 10 EGCDHN CC[NH+](CC)C[C@H]1CCN(Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000184699314 455430594 /nfs/dbraw/zinc/43/05/94/455430594.db2.gz FBNZRERKYDHVMS-CYBMUJFWSA-N 0 3 326.868 3.218 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)c1[O-] ZINC000184733514 455438075 /nfs/dbraw/zinc/43/80/75/455438075.db2.gz BLBUTWMLIWJJNQ-ZDUSSCGKSA-N 0 3 349.862 3.242 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)c1[O-] ZINC000184733514 455438079 /nfs/dbraw/zinc/43/80/79/455438079.db2.gz BLBUTWMLIWJJNQ-ZDUSSCGKSA-N 0 3 349.862 3.242 20 10 EGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](c2cccs2)N2CCOCC2)c1 ZINC000184852766 455460404 /nfs/dbraw/zinc/46/04/04/455460404.db2.gz DAYJNMZGALCGBT-NVXWUHKLSA-N 0 3 346.496 3.486 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCc2cnn(Cc3ccccc3)c2)c1 ZINC000182405356 455506803 /nfs/dbraw/zinc/50/68/03/455506803.db2.gz GUDDLIGKEGMUQX-HNNXBMFYSA-N 0 3 337.423 3.496 20 10 EGCDHN CCN(Cc1ccccc1)C(=O)CN[C@@H](C)c1cc(C)ccc1O ZINC000185195668 455519839 /nfs/dbraw/zinc/51/98/39/455519839.db2.gz XFQVLIILLYGERD-INIZCTEOSA-N 0 3 326.440 3.400 20 10 EGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCNc2nccc(C(F)(F)F)n2)c1 ZINC000185498467 455569066 /nfs/dbraw/zinc/56/90/66/455569066.db2.gz UMODQFUYNCSVBH-LLVKDONJSA-N 0 3 340.349 3.272 20 10 EGCDHN CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cc(OC)ccc2[O-])C1 ZINC000185657465 455590589 /nfs/dbraw/zinc/59/05/89/455590589.db2.gz HMXMNKSIYNVACK-HVPDJGFRSA-N 0 3 325.474 3.131 20 10 EGCDHN COc1ccc2c(c1)nc(CNCc1cc(C)c(C)cc1O)n2C ZINC000185831630 455631403 /nfs/dbraw/zinc/63/14/03/455631403.db2.gz FEHROYNBLXUTDC-UHFFFAOYSA-N 0 3 325.412 3.194 20 10 EGCDHN CCOCc1cc(CNC[C@H]2COC3(CCCC3)O2)ccc1OC ZINC000271430181 455633557 /nfs/dbraw/zinc/63/35/57/455633557.db2.gz NWCVWSMRZGPXOR-KRWDZBQOSA-N 0 3 335.444 3.007 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCc2ccc3c(c2)OCCO3)c1 ZINC000192873208 455709218 /nfs/dbraw/zinc/70/92/18/455709218.db2.gz RRJSZZUZOQYSKB-ZDUSSCGKSA-N 0 3 329.396 3.065 20 10 EGCDHN CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000186373938 455755680 /nfs/dbraw/zinc/75/56/80/455755680.db2.gz UQMHMVWBRWHKNT-GFCCVEGCSA-N 0 3 337.416 3.176 20 10 EGCDHN COc1ccc([O-])c(C[N@H+](CCCO)[C@@H]2CCc3ccccc32)c1 ZINC000271813544 455770820 /nfs/dbraw/zinc/77/08/20/455770820.db2.gz MJOMRWITEVASRB-LJQANCHMSA-N 0 3 327.424 3.273 20 10 EGCDHN COc1ccc([O-])c(C[N@@H+](CCCO)[C@@H]2CCc3ccccc32)c1 ZINC000271813544 455770822 /nfs/dbraw/zinc/77/08/22/455770822.db2.gz MJOMRWITEVASRB-LJQANCHMSA-N 0 3 327.424 3.273 20 10 EGCDHN COc1ccc([O-])c(C[N@H+](CCCO)[C@H]2CCc3ccccc32)c1 ZINC000271813543 455771317 /nfs/dbraw/zinc/77/13/17/455771317.db2.gz MJOMRWITEVASRB-IBGZPJMESA-N 0 3 327.424 3.273 20 10 EGCDHN COc1ccc([O-])c(C[N@@H+](CCCO)[C@H]2CCc3ccccc32)c1 ZINC000271813543 455771319 /nfs/dbraw/zinc/77/13/19/455771319.db2.gz MJOMRWITEVASRB-IBGZPJMESA-N 0 3 327.424 3.273 20 10 EGCDHN COCC[C@](C)(O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000293600896 455792196 /nfs/dbraw/zinc/79/21/96/455792196.db2.gz GAUMSKWCUIIYAI-CTNGQTDRSA-N 0 3 343.467 3.443 20 10 EGCDHN COc1cc([O-])c(C[NH2+][C@@H](C)[C@H](OC)c2ccc(F)cc2)cc1OC ZINC000271870223 455793295 /nfs/dbraw/zinc/79/32/95/455793295.db2.gz XJPLLNDQPJEGGJ-BUXKBTBVSA-N 0 3 349.402 3.414 20 10 EGCDHN COc1cc([O-])c(C[NH2+]CCc2c[nH]c3cc(F)ccc23)cc1OC ZINC000271907129 455799133 /nfs/dbraw/zinc/79/91/33/455799133.db2.gz WYDMYSPVHIAZMS-UHFFFAOYSA-N 0 3 344.386 3.362 20 10 EGCDHN COc1cc([O-])c(C[NH2+]CCc2c[nH]c3ccc(F)cc23)cc1OC ZINC000271913487 455799697 /nfs/dbraw/zinc/79/96/97/455799697.db2.gz YIOLAIBOWSHUFY-UHFFFAOYSA-N 0 3 344.386 3.362 20 10 EGCDHN COc1ccc(O)c(CN2CCC(O)(Cc3cccc(F)c3)CC2)c1 ZINC000186588819 455800357 /nfs/dbraw/zinc/80/03/57/455800357.db2.gz SGRKWEBVFQLDGP-UHFFFAOYSA-N 0 3 345.414 3.110 20 10 EGCDHN COc1ccc([O-])c(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)c1 ZINC000186588819 455800358 /nfs/dbraw/zinc/80/03/58/455800358.db2.gz SGRKWEBVFQLDGP-UHFFFAOYSA-N 0 3 345.414 3.110 20 10 EGCDHN Cc1cc(CN2CCC[C@H]([C@H](O)C(F)(F)F)C2)ccc1N(C)C ZINC000294024921 455803241 /nfs/dbraw/zinc/80/32/41/455803241.db2.gz HREDDSVTAQJTGX-HOCLYGCPSA-N 0 3 330.394 3.196 20 10 EGCDHN O=C(C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-])NCC(F)F ZINC000294525883 455818596 /nfs/dbraw/zinc/81/85/96/455818596.db2.gz ZOASBFMZRVGOTE-INIZCTEOSA-N 0 3 348.393 3.037 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000295048375 455836573 /nfs/dbraw/zinc/83/65/73/455836573.db2.gz NHIKGVUCQCRDJJ-AEFFLSMTSA-N 0 3 327.424 3.222 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@@](C)(O)CC2)c1[O-] ZINC000279623372 455869362 /nfs/dbraw/zinc/86/93/62/455869362.db2.gz HDZVIJBMGYBGBB-OAHLLOKOSA-N 0 3 328.250 3.200 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@@](C)(O)CC2)c1[O-] ZINC000279623372 455869366 /nfs/dbraw/zinc/86/93/66/455869366.db2.gz HDZVIJBMGYBGBB-OAHLLOKOSA-N 0 3 328.250 3.200 20 10 EGCDHN CC[C@@H]([NH2+][C@H]1CCCN(c2ccnn2C)C1)c1ccc(C)cc1[O-] ZINC000279923773 455878033 /nfs/dbraw/zinc/87/80/33/455878033.db2.gz AJISWWBKMKMVIP-DOTOQJQBSA-N 0 3 328.460 3.144 20 10 EGCDHN CCOCc1cc(CN[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)ccc1OC ZINC000285630587 455885115 /nfs/dbraw/zinc/88/51/15/455885115.db2.gz YRSKOSASMRFDKZ-VQIMIIECSA-N 0 3 348.487 3.015 20 10 EGCDHN C[C@H](CC[S@](C)=O)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000280304046 455941732 /nfs/dbraw/zinc/94/17/32/455941732.db2.gz OHGDFQZMGYMMGO-XFNZEKPQSA-N 0 3 336.423 3.018 20 10 EGCDHN COC(=O)c1cc(CN(Cc2ccc(N(C)C)cc2)C2CC2)c[nH]1 ZINC000271037232 456106739 /nfs/dbraw/zinc/10/67/39/456106739.db2.gz GLGLNKLNXGQYAE-UHFFFAOYSA-N 0 3 327.428 3.032 20 10 EGCDHN COCCCN(Cc1ccncc1)Cc1ccc(N(C)C)c(F)c1 ZINC000289393010 456122652 /nfs/dbraw/zinc/12/26/52/456122652.db2.gz FHLVAOJIHWHWCC-UHFFFAOYSA-N 0 3 331.435 3.325 20 10 EGCDHN CCCOc1ccc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c([O-])c1 ZINC000289532331 456128242 /nfs/dbraw/zinc/12/82/42/456128242.db2.gz HRICWTFAUOWLJB-MRXNPFEDSA-N 0 3 347.377 3.460 20 10 EGCDHN CCCOc1ccc(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)c([O-])c1 ZINC000289532331 456128249 /nfs/dbraw/zinc/12/82/49/456128249.db2.gz HRICWTFAUOWLJB-MRXNPFEDSA-N 0 3 347.377 3.460 20 10 EGCDHN CCOc1cccc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)c1[O-] ZINC000289839578 456151046 /nfs/dbraw/zinc/15/10/46/456151046.db2.gz NCLPYGNSPZFOCK-YLJYHZDGSA-N 0 3 327.424 3.047 20 10 EGCDHN CCCOc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c([O-])c1 ZINC000289842864 456152203 /nfs/dbraw/zinc/15/22/03/456152203.db2.gz URFDHICOBAIFDZ-HIFRSBDPSA-N 0 3 347.377 3.174 20 10 EGCDHN CCCOc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c([O-])c1 ZINC000289842864 456152207 /nfs/dbraw/zinc/15/22/07/456152207.db2.gz URFDHICOBAIFDZ-HIFRSBDPSA-N 0 3 347.377 3.174 20 10 EGCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)cc1OC ZINC000281225493 456171038 /nfs/dbraw/zinc/17/10/38/456171038.db2.gz KRMXZTQXKFELBO-XBVQOTNRSA-N 0 3 349.471 3.171 20 10 EGCDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)cc1OC ZINC000281225493 456171048 /nfs/dbraw/zinc/17/10/48/456171048.db2.gz KRMXZTQXKFELBO-XBVQOTNRSA-N 0 3 349.471 3.171 20 10 EGCDHN CCOc1cccc(C[NH2+]C[C@@]2(C)OCCc3sccc32)c1[O-] ZINC000289946130 456190957 /nfs/dbraw/zinc/19/09/57/456190957.db2.gz XFNWHHBCJZDYBP-GOSISDBHSA-N 0 3 333.453 3.430 20 10 EGCDHN CCOc1cccc(CN[C@@H](CN(C)C)c2ccc(F)cc2)c1O ZINC000290121699 456245729 /nfs/dbraw/zinc/24/57/29/456245729.db2.gz MCNPRTNJVGAPAE-KRWDZBQOSA-N 0 3 332.419 3.323 20 10 EGCDHN [O-]c1cccc2c1[C@@H]([NH2+]Cc1cc(F)ccc1N1CCOCC1)CC2 ZINC000297654420 456271143 /nfs/dbraw/zinc/27/11/43/456271143.db2.gz KHZRERPAMDMIPY-KRWDZBQOSA-N 0 3 342.414 3.145 20 10 EGCDHN O=C(Nc1ccccc1)N1CC[C@@H](NCc2ccc3c(c2)CCO3)C1 ZINC000282324590 456477063 /nfs/dbraw/zinc/47/70/63/456477063.db2.gz ALRGMKROYHUWQV-GOSISDBHSA-N 0 3 337.423 3.018 20 10 EGCDHN COCCn1cc(CN[C@@H](C)c2ccc(N3CCCCC3)cc2)cn1 ZINC000282784600 456625300 /nfs/dbraw/zinc/62/53/00/456625300.db2.gz PTQYNRKVJXUKHT-KRWDZBQOSA-N 0 3 342.487 3.371 20 10 EGCDHN CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000283694814 456825451 /nfs/dbraw/zinc/82/54/51/456825451.db2.gz RJGFJEOKBPULSD-YJBOKZPZSA-N 0 3 345.487 3.187 20 10 EGCDHN C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1)c1ccccc1[O-] ZINC000359990595 457189859 /nfs/dbraw/zinc/18/98/59/457189859.db2.gz BXWMEIMJRBIPQQ-FXECBMLZSA-N 0 3 336.435 3.200 20 10 EGCDHN Cc1c2ccccc2n(C)c1CNC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000352126240 457340328 /nfs/dbraw/zinc/34/03/28/457340328.db2.gz QZBYDJULPOASIV-FMKPAKJESA-N 0 3 327.472 3.364 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@](CO)(C(C)C)C2)c1[O-] ZINC000378125854 457379901 /nfs/dbraw/zinc/37/99/01/457379901.db2.gz BOAYAYNCIRHXML-INIZCTEOSA-N 0 3 342.277 3.304 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@](CO)(C(C)C)C2)c1[O-] ZINC000378125854 457379908 /nfs/dbraw/zinc/37/99/08/457379908.db2.gz BOAYAYNCIRHXML-INIZCTEOSA-N 0 3 342.277 3.304 20 10 EGCDHN CCOc1ccc(O)c(CN2CCCN(c3ncccc3F)CC2)c1 ZINC000375525082 457961229 /nfs/dbraw/zinc/96/12/29/457961229.db2.gz JTZDNCKYCWMDGQ-UHFFFAOYSA-N 0 3 345.418 3.037 20 10 EGCDHN CO[C@@H]1CCC[N@H+](Cc2cc(Br)cc(C)c2[O-])CC1 ZINC000371685645 458033343 /nfs/dbraw/zinc/03/33/43/458033343.db2.gz NJJJPYOWYXXCBX-CQSZACIVSA-N 0 3 328.250 3.464 20 10 EGCDHN CO[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(C)c2[O-])CC1 ZINC000371685645 458033350 /nfs/dbraw/zinc/03/33/50/458033350.db2.gz NJJJPYOWYXXCBX-CQSZACIVSA-N 0 3 328.250 3.464 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)c1[O-] ZINC000373368102 458472963 /nfs/dbraw/zinc/47/29/63/458472963.db2.gz CVJYNPDGIPBSEQ-IAGOWNOFSA-N 0 3 325.836 3.349 20 10 EGCDHN NC(=O)c1cccc(CC[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])c1 ZINC000729685827 574879213 /nfs/dbraw/zinc/87/92/13/574879213.db2.gz JDBUUTFAOVDMBF-UHFFFAOYSA-N 0 3 346.430 3.490 20 10 EGCDHN CC(=O)N1CCC(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000729686891 574880086 /nfs/dbraw/zinc/88/00/86/574880086.db2.gz KOTZDDPMBYSEGR-UHFFFAOYSA-N 0 3 338.451 3.407 20 10 EGCDHN CCN1CCCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 ZINC000732095525 575236720 /nfs/dbraw/zinc/23/67/20/575236720.db2.gz HGTNTAVJSIPTOA-UHFFFAOYSA-N 0 3 325.456 3.262 20 10 EGCDHN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](CN(C)C)C(C)C)cc1 ZINC000733167661 575312269 /nfs/dbraw/zinc/31/22/69/575312269.db2.gz YEUOJYBCFORASF-IBGZPJMESA-N 0 3 327.472 3.410 20 10 EGCDHN CC[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccncc1 ZINC000742372748 576775119 /nfs/dbraw/zinc/77/51/19/576775119.db2.gz VPBNMBJTMGWXNZ-SFHVURJKSA-N 0 3 329.419 3.298 20 10 EGCDHN CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000743498749 576810473 /nfs/dbraw/zinc/81/04/73/576810473.db2.gz FGULZCNYDVRVOV-MFKMUULPSA-N 0 3 346.265 3.050 20 10 EGCDHN C[C@@H](C(=O)NCc1c(O)ccc2c1CCCC2)N1CCCCCC1 ZINC000743718133 576815213 /nfs/dbraw/zinc/81/52/13/576815213.db2.gz ZZVSUCJGURXOGE-HNNXBMFYSA-N 0 3 330.472 3.152 20 10 EGCDHN Oc1ccc(-c2ccccc2)cc1CN1CCN(c2ncccn2)CC1 ZINC000015067048 1291146162 /nfs/dbraw/zinc/14/61/62/1291146162.db2.gz RUDHDCSBKLDTKJ-UHFFFAOYSA-N 0 3 346.434 3.171 20 10 EGCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccc(F)cc2F)N(C)C)cc1 ZINC000038635185 1291403712 /nfs/dbraw/zinc/40/37/12/1291403712.db2.gz UTNGZRDQACNTRA-GOSISDBHSA-N 0 3 347.409 3.064 20 10 EGCDHN Cc1cnccc1CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000828062788 1292425298 /nfs/dbraw/zinc/42/52/98/1292425298.db2.gz RXIIAVQHLAYLHR-IBGZPJMESA-N 0 3 326.440 3.319 20 10 EGCDHN Cc1cnccc1CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000828062788 1292425303 /nfs/dbraw/zinc/42/53/03/1292425303.db2.gz RXIIAVQHLAYLHR-IBGZPJMESA-N 0 3 326.440 3.319 20 10 EGCDHN COc1cc(Br)cc(C[N@H+](C)CCOCC2CC2)c1[O-] ZINC000093818489 1292932508 /nfs/dbraw/zinc/93/25/08/1292932508.db2.gz CCAPYFHKAYMSLX-UHFFFAOYSA-N 0 3 344.249 3.022 20 10 EGCDHN COc1cc(Br)cc(C[N@@H+](C)CCOCC2CC2)c1[O-] ZINC000093818489 1292932518 /nfs/dbraw/zinc/93/25/18/1292932518.db2.gz CCAPYFHKAYMSLX-UHFFFAOYSA-N 0 3 344.249 3.022 20 10 EGCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccc2ccccc2c1 ZINC000111236259 1293101826 /nfs/dbraw/zinc/10/18/26/1293101826.db2.gz ONDAEWMTTQBXPB-IBGZPJMESA-N 0 3 337.419 3.417 20 10 EGCDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccc2ccccc2c1 ZINC000111236259 1293101830 /nfs/dbraw/zinc/10/18/30/1293101830.db2.gz ONDAEWMTTQBXPB-IBGZPJMESA-N 0 3 337.419 3.417 20 10 EGCDHN C[N@H+](CCC(=O)N[C@H]1CCCc2ccccc21)Cc1ccccc1[O-] ZINC000111236069 1293102000 /nfs/dbraw/zinc/10/20/00/1293102000.db2.gz LUTWQGZRVWSGPF-IBGZPJMESA-N 0 3 338.451 3.408 20 10 EGCDHN C[N@@H+](CCC(=O)N[C@H]1CCCc2ccccc21)Cc1ccccc1[O-] ZINC000111236069 1293102003 /nfs/dbraw/zinc/10/20/03/1293102003.db2.gz LUTWQGZRVWSGPF-IBGZPJMESA-N 0 3 338.451 3.408 20 10 EGCDHN CC(C)COC[C@@H](O)CN(Cc1ccco1)Cc1ccccc1O ZINC000121028325 1293352137 /nfs/dbraw/zinc/35/21/37/1293352137.db2.gz QYSLEIYKBDWDDF-KRWDZBQOSA-N 0 3 333.428 3.021 20 10 EGCDHN [O-]c1ccc(Br)cc1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000134123319 1293763785 /nfs/dbraw/zinc/76/37/85/1293763785.db2.gz NOMPPXLWWXJENQ-OAHLLOKOSA-N 0 3 339.277 3.215 20 10 EGCDHN CCN(Cc1ccccc1)C(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000177998031 1294708889 /nfs/dbraw/zinc/70/88/89/1294708889.db2.gz QSNLNGNXLLASJI-QGZVFWFLSA-N 0 3 339.483 3.452 20 10 EGCDHN CCc1ccc(NC(=O)CN[C@H](C)c2cc(OC)ccc2O)cc1 ZINC000182396402 1295042236 /nfs/dbraw/zinc/04/22/36/1295042236.db2.gz XAGFENOUUYKGOY-CYBMUJFWSA-N 0 3 328.412 3.253 20 10 EGCDHN CC[C@H](NC1CCN(c2ccc(OC)cc2)CC1)c1nccn1C ZINC000182764292 1295071902 /nfs/dbraw/zinc/07/19/02/1295071902.db2.gz OROSUVXOFTZONB-SFHVURJKSA-N 0 3 328.460 3.138 20 10 EGCDHN CCOC(=O)N[C@H](C[NH2+][C@H](C)c1cc(F)ccc1[O-])CC(C)C ZINC000184949751 1295231005 /nfs/dbraw/zinc/23/10/05/1295231005.db2.gz SYFJRKTWEBKOPE-OCCSQVGLSA-N 0 3 326.412 3.343 20 10 EGCDHN CC[C@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1ccccc1[O-] ZINC000185212617 1295248274 /nfs/dbraw/zinc/24/82/74/1295248274.db2.gz VPZFWZOYUKMTII-SFHVURJKSA-N 0 3 326.440 3.377 20 10 EGCDHN C[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])[C@@H]1CO ZINC000191179227 1295655909 /nfs/dbraw/zinc/65/59/09/1295655909.db2.gz BVOJFXLAPDVTJX-HNAYVOBHSA-N 0 3 327.424 3.174 20 10 EGCDHN C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])[C@@H]1CO ZINC000191179227 1295655921 /nfs/dbraw/zinc/65/59/21/1295655921.db2.gz BVOJFXLAPDVTJX-HNAYVOBHSA-N 0 3 327.424 3.174 20 10 EGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H]4CC[C@@H](C3)N4C)c2c1 ZINC000245431137 1296306139 /nfs/dbraw/zinc/30/61/39/1296306139.db2.gz ANBIVKXFKFYMBI-CVEARBPZSA-N 0 3 326.440 3.223 20 10 EGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H]4CC[C@@H](C3)N4C)c2c1 ZINC000245431137 1296306155 /nfs/dbraw/zinc/30/61/55/1296306155.db2.gz ANBIVKXFKFYMBI-CVEARBPZSA-N 0 3 326.440 3.223 20 10 EGCDHN COc1ccc(CN[C@H](C)c2cnccc2C)cc1Cn1cccn1 ZINC000873098958 1297272671 /nfs/dbraw/zinc/27/26/71/1297272671.db2.gz PROGJJVBIGKWRB-MRXNPFEDSA-N 0 3 336.439 3.494 20 10 EGCDHN C[C@H]([NH2+]C1CN(C(=O)OCc2ccccc2)C1)c1ccccc1[O-] ZINC000397237023 1297695662 /nfs/dbraw/zinc/69/56/62/1297695662.db2.gz JEAGUIPFAWJNSL-AWEZNQCLSA-N 0 3 326.396 3.064 20 10 EGCDHN O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCN1C1CCCC1 ZINC000874241343 1297824959 /nfs/dbraw/zinc/82/49/59/1297824959.db2.gz UJAIGOMYBPASJU-FQEVSTJZSA-N 0 3 341.499 3.310 20 10 EGCDHN [O-]c1c(F)cc(Br)cc1CN[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000715780816 1298286453 /nfs/dbraw/zinc/28/64/53/1298286453.db2.gz YVEXUXJYOOEDKO-KBPBESRZSA-N 0 3 343.240 3.010 20 10 EGCDHN [O-]c1c(F)cc(Br)cc1CN[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000715780816 1298286463 /nfs/dbraw/zinc/28/64/63/1298286463.db2.gz YVEXUXJYOOEDKO-KBPBESRZSA-N 0 3 343.240 3.010 20 10 EGCDHN CC(C)(C)c1cc(CNCC(=O)NC2CC2)c(O)c(C(C)(C)C)c1 ZINC000725844923 1298374086 /nfs/dbraw/zinc/37/40/86/1298374086.db2.gz BTYVAEUNIXKIJP-UHFFFAOYSA-N 0 3 332.488 3.355 20 10 EGCDHN O=C(C[N@H+](Cc1ccccc1[O-])C1CCCC1)Nc1ccc(O)cc1 ZINC000747528805 1298794946 /nfs/dbraw/zinc/79/49/46/1298794946.db2.gz FXHRAGRBQORZEF-UHFFFAOYSA-N 0 3 340.423 3.481 20 10 EGCDHN O=C(C[N@@H+](Cc1ccccc1[O-])C1CCCC1)Nc1ccc(O)cc1 ZINC000747528805 1298794956 /nfs/dbraw/zinc/79/49/56/1298794956.db2.gz FXHRAGRBQORZEF-UHFFFAOYSA-N 0 3 340.423 3.481 20 10 EGCDHN Cc1ccc(C[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)c([O-])c1 ZINC000876636055 1298886765 /nfs/dbraw/zinc/88/67/65/1298886765.db2.gz BBRGQQUGWGNMLW-UHFFFAOYSA-N 0 3 339.439 3.487 20 10 EGCDHN Cc1ccc(C[N@H+]2C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)c([O-])c1 ZINC000876815243 1299007850 /nfs/dbraw/zinc/00/78/50/1299007850.db2.gz VVGPUIGMNXLBAF-GJZGRUSLSA-N 0 3 334.460 3.436 20 10 EGCDHN Cc1ccc(C[N@@H+]2C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)c([O-])c1 ZINC000876815243 1299007864 /nfs/dbraw/zinc/00/78/64/1299007864.db2.gz VVGPUIGMNXLBAF-GJZGRUSLSA-N 0 3 334.460 3.436 20 10 EGCDHN COc1cc(CCC[NH2+]Cc2ccc(C)cc2[O-])cc(OC)c1O ZINC000877646814 1299452913 /nfs/dbraw/zinc/45/29/13/1299452913.db2.gz PQBXOPMGRVEFAP-UHFFFAOYSA-N 0 3 331.412 3.146 20 10 EGCDHN OC1CCN(c2ccc(CN3CC(Cc4ccsc4)C3)cc2)CC1 ZINC000877646306 1299453127 /nfs/dbraw/zinc/45/31/27/1299453127.db2.gz GJOKXZPFYLDWMX-UHFFFAOYSA-N 0 3 342.508 3.384 20 10 EGCDHN Oc1ccccc1CN1CCN(c2cc(C(F)(F)F)ccn2)CC1 ZINC000877645963 1299453185 /nfs/dbraw/zinc/45/31/85/1299453185.db2.gz YVTOQFIPPHATOC-UHFFFAOYSA-N 0 3 337.345 3.128 20 10 EGCDHN COc1cccc(NC(=O)C[C@H](C)[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000877756318 1299532749 /nfs/dbraw/zinc/53/27/49/1299532749.db2.gz HAZKHYXKOACWKW-UONOGXRCSA-N 0 3 328.412 3.469 20 10 EGCDHN CCc1ccc([C@H](CNC(=O)c2ccc(C)c(O)c2O)N(C)C)cc1 ZINC000751531064 1299562527 /nfs/dbraw/zinc/56/25/27/1299562527.db2.gz YOMYFZWYECLVCH-KRWDZBQOSA-N 0 3 342.439 3.001 20 10 EGCDHN [O-]c1ccccc1C[N@H+](CCCOC(F)(F)F)C[C@@H]1CCCO1 ZINC000878241561 1299855837 /nfs/dbraw/zinc/85/58/37/1299855837.db2.gz WOBQEWXNDYMMEP-AWEZNQCLSA-N 0 3 333.350 3.300 20 10 EGCDHN [O-]c1ccccc1C[N@@H+](CCCOC(F)(F)F)C[C@@H]1CCCO1 ZINC000878241561 1299855854 /nfs/dbraw/zinc/85/58/54/1299855854.db2.gz WOBQEWXNDYMMEP-AWEZNQCLSA-N 0 3 333.350 3.300 20 10 EGCDHN C[C@H]1C[C@H]([NH2+]CCCN2CCCCCC2=O)c2c1c(F)ccc2[O-] ZINC000756370388 1300478246 /nfs/dbraw/zinc/47/82/46/1300478246.db2.gz GGDUFXFPNODKPI-ZFWWWQNUSA-N 0 3 334.435 3.462 20 10 EGCDHN C[C@H]([NH2+]Cc1ccccc1Cn1cncn1)c1cc(F)ccc1[O-] ZINC000756391998 1300483224 /nfs/dbraw/zinc/48/32/24/1300483224.db2.gz GFSFRJXBRNQTQX-ZDUSSCGKSA-N 0 3 326.375 3.022 20 10 EGCDHN C[C@H](Cc1c(F)cccc1F)NC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648412 1300647245 /nfs/dbraw/zinc/64/72/45/1300647245.db2.gz NSCMKSGXTICGHA-CHWSQXEVSA-N 0 3 348.393 3.068 20 10 EGCDHN COc1ccc(Cl)cc1CNC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648520 1300648158 /nfs/dbraw/zinc/64/81/58/1300648158.db2.gz RZEFKTMNKGPEKL-GFCCVEGCSA-N 0 3 348.830 3.021 20 10 EGCDHN CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000759173056 1301032058 /nfs/dbraw/zinc/03/20/58/1301032058.db2.gz MINNYYARMXUFHL-ICSRJNTNSA-N 0 3 327.424 3.343 20 10 EGCDHN C[C@H]([NH2+]C[C@@]1(CO)C[C@@H]1c1ccc(F)cc1)c1cc(F)ccc1[O-] ZINC000760040924 1301212228 /nfs/dbraw/zinc/21/22/28/1301212228.db2.gz MXCVNCWZHCJRGR-OEPMTFCVSA-N 0 3 333.378 3.487 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+]2CCc3ccc(O)cc3CC2)c1[O-] ZINC000761195211 1301418527 /nfs/dbraw/zinc/41/85/27/1301418527.db2.gz IZJALQMXYXFASS-UHFFFAOYSA-N 0 3 333.815 3.361 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+]2CCc3ccc(O)cc3CC2)c1[O-] ZINC000761195211 1301418533 /nfs/dbraw/zinc/41/85/33/1301418533.db2.gz IZJALQMXYXFASS-UHFFFAOYSA-N 0 3 333.815 3.361 20 10 EGCDHN COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000761202477 1301420144 /nfs/dbraw/zinc/42/01/44/1301420144.db2.gz ZHRACDQTIRCONM-DYVFJYSZSA-N 0 3 341.835 3.266 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2C2CCOCC2)c1[O-] ZINC000761216591 1301422834 /nfs/dbraw/zinc/42/28/34/1301422834.db2.gz SYCAVIGVXYMMID-HNNXBMFYSA-N 0 3 325.836 3.445 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H]2C2CCOCC2)c1[O-] ZINC000761216591 1301422839 /nfs/dbraw/zinc/42/28/39/1301422839.db2.gz SYCAVIGVXYMMID-HNNXBMFYSA-N 0 3 325.836 3.445 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+]CCCN2CCCO[C@H](C)C2)c2c1c(F)ccc2[O-] ZINC000762648459 1301721305 /nfs/dbraw/zinc/72/13/05/1301721305.db2.gz IZWKVLOXIFDFCC-FMKPAKJESA-N 0 3 336.451 3.170 20 10 EGCDHN COCCOc1ccc([C@H](C)NCc2ccc3c(c2)CCO3)cc1 ZINC000765607370 1302289754 /nfs/dbraw/zinc/28/97/54/1302289754.db2.gz CIMKTOQEDUPDKM-HNNXBMFYSA-N 0 3 327.424 3.498 20 10 EGCDHN CCOc1ccc(CN[C@@H](C[S@](C)=O)c2ccccc2)c(O)c1 ZINC000765639741 1302294177 /nfs/dbraw/zinc/29/41/77/1302294177.db2.gz VKAHPGDXNFOXDK-SBUREZEXSA-N 0 3 333.453 3.000 20 10 EGCDHN CCC[N@@H+](Cc1c([O-])cccc1OC)C[C@@H]1COc2ccccc2O1 ZINC000768180304 1302846907 /nfs/dbraw/zinc/84/69/07/1302846907.db2.gz LHXFJMAXJSWXAO-OAHLLOKOSA-N 0 3 343.423 3.453 20 10 EGCDHN CCC[N@H+](Cc1c([O-])cccc1OC)C[C@@H]1COc2ccccc2O1 ZINC000768180304 1302846923 /nfs/dbraw/zinc/84/69/23/1302846923.db2.gz LHXFJMAXJSWXAO-OAHLLOKOSA-N 0 3 343.423 3.453 20 10 EGCDHN CCN1C[C@@H](CN(C)Cc2cccc(OC)c2O)Oc2ccccc21 ZINC000768213204 1302855216 /nfs/dbraw/zinc/85/52/16/1302855216.db2.gz OGWJQVYJDDYBIS-MRXNPFEDSA-N 0 3 342.439 3.120 20 10 EGCDHN CCOc1ccc(CN2CCN(Cc3cc(C)ccc3O)CC2)cc1 ZINC000768219538 1302858664 /nfs/dbraw/zinc/85/86/64/1302858664.db2.gz JPVYDUBFUCZBQT-UHFFFAOYSA-N 0 3 340.467 3.417 20 10 EGCDHN Cc1ccccc1OCCC[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768443195 1302903031 /nfs/dbraw/zinc/90/30/31/1302903031.db2.gz RGJKIBCFSGDRTI-SFHVURJKSA-N 0 3 343.423 3.027 20 10 EGCDHN Cc1ccccc1OCCC[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768443195 1302903040 /nfs/dbraw/zinc/90/30/40/1302903040.db2.gz RGJKIBCFSGDRTI-SFHVURJKSA-N 0 3 343.423 3.027 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1)[C@@H](O)CO2 ZINC000768441023 1302903950 /nfs/dbraw/zinc/90/39/50/1302903950.db2.gz CPVQSTCRSXTSAQ-APWZRJJASA-N 0 3 343.398 3.164 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1)[C@@H](O)CO2 ZINC000768441023 1302903956 /nfs/dbraw/zinc/90/39/56/1302903956.db2.gz CPVQSTCRSXTSAQ-APWZRJJASA-N 0 3 343.398 3.164 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](Cc3ccc(F)cc3)C1)[C@@H](O)CO2 ZINC000768445841 1302906202 /nfs/dbraw/zinc/90/62/02/1302906202.db2.gz INACFCXPJCRWMM-KUHUBIRLSA-N 0 3 343.398 3.022 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](Cc3ccc(F)cc3)C1)[C@@H](O)CO2 ZINC000768445841 1302906216 /nfs/dbraw/zinc/90/62/16/1302906216.db2.gz INACFCXPJCRWMM-KUHUBIRLSA-N 0 3 343.398 3.022 20 10 EGCDHN CCOc1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c([O-])c1 ZINC000770319733 1303247882 /nfs/dbraw/zinc/24/78/82/1303247882.db2.gz BAQGCRLRWSGJEZ-YJBOKZPZSA-N 0 3 331.412 3.472 20 10 EGCDHN CCOc1ccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c([O-])c1 ZINC000770319733 1303247885 /nfs/dbraw/zinc/24/78/85/1303247885.db2.gz BAQGCRLRWSGJEZ-YJBOKZPZSA-N 0 3 331.412 3.472 20 10 EGCDHN COc1cccc(O)c1CN(CCCO)Cc1cccc(Cl)c1 ZINC000770351638 1303252248 /nfs/dbraw/zinc/25/22/48/1303252248.db2.gz TYSCKOONDHGWGJ-UHFFFAOYSA-N 0 3 335.831 3.439 20 10 EGCDHN Cc1cccc(C2=CC[N@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)CC2)c1 ZINC000770661441 1303302157 /nfs/dbraw/zinc/30/21/57/1303302157.db2.gz RZTOCUMQUOWGBQ-FQEVSTJZSA-N 0 3 337.419 3.416 20 10 EGCDHN Cc1cccc(C2=CC[N@@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)CC2)c1 ZINC000770661441 1303302159 /nfs/dbraw/zinc/30/21/59/1303302159.db2.gz RZTOCUMQUOWGBQ-FQEVSTJZSA-N 0 3 337.419 3.416 20 10 EGCDHN COc1cc(Br)cc(C[NH2+]C[C@@H]2CCO[C@@H](C)C2)c1[O-] ZINC000770745939 1303313562 /nfs/dbraw/zinc/31/35/62/1303313562.db2.gz JYJVJDSRNBJNKS-WDEREUQCSA-N 0 3 344.249 3.068 20 10 EGCDHN Cc1ccc([C@@H](C)NCc2ccc(N3CCOCC3)cc2)c(C)n1 ZINC000771376307 1303395146 /nfs/dbraw/zinc/39/51/46/1303395146.db2.gz WJGHVZZVACHJPU-MRXNPFEDSA-N 0 3 325.456 3.386 20 10 EGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@H](CO)C[C@H]1CCCO1 ZINC000886228600 1303404180 /nfs/dbraw/zinc/40/41/80/1303404180.db2.gz BVYNNEKTTATBPU-RBUKOAKNSA-N 0 3 327.424 3.079 20 10 EGCDHN CCN(C)c1ccc(CN(C)[C@H](CO)c2ccc(OC)cc2)cc1 ZINC000773758776 1303736146 /nfs/dbraw/zinc/73/61/46/1303736146.db2.gz YQARJIIWZTWZDV-HXUWFJFHSA-N 0 3 328.456 3.317 20 10 EGCDHN COc1ccc(O)c(CN2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000775648302 1304004016 /nfs/dbraw/zinc/00/40/16/1304004016.db2.gz DGJLANFBXPYTRH-UHFFFAOYSA-N 0 3 332.831 3.376 20 10 EGCDHN CCc1ccc(N2CCN(Cc3cc(OC)ccc3O)CC2)cc1 ZINC000775724577 1304021783 /nfs/dbraw/zinc/02/17/83/1304021783.db2.gz MCTWGSXPFJBIKM-UHFFFAOYSA-N 0 3 326.440 3.285 20 10 EGCDHN C[C@H](NCC(=O)Nc1ccc(Cl)cn1)c1ccc(N(C)C)cc1 ZINC000775826688 1304044361 /nfs/dbraw/zinc/04/43/61/1304044361.db2.gz FPCSDSYYFKOJIO-LBPRGKRZSA-N 0 3 332.835 3.090 20 10 EGCDHN C[C@@H](NCC(=O)NCCC1CCCCC1)c1ccc(N(C)C)cc1 ZINC000775832986 1304046849 /nfs/dbraw/zinc/04/68/49/1304046849.db2.gz DSISYYKQQANASH-MRXNPFEDSA-N 0 3 331.504 3.490 20 10 EGCDHN C[C@H](NCC(=O)N(C)[C@H]1CCCC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000775835536 1304048240 /nfs/dbraw/zinc/04/82/40/1304048240.db2.gz UIRMOGBGKDITQA-BXWFABGCSA-N 0 3 331.504 3.440 20 10 EGCDHN Cc1cc(Br)cc(CNCc2cccc(F)n2)c1O ZINC000776251800 1304120791 /nfs/dbraw/zinc/12/07/91/1304120791.db2.gz BCXQIULZXRFKRG-UHFFFAOYSA-N 0 3 325.181 3.287 20 10 EGCDHN CO[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000776256919 1304122587 /nfs/dbraw/zinc/12/25/87/1304122587.db2.gz SOFNNBBDGZUVRJ-RISCZKNCSA-N 0 3 328.250 3.368 20 10 EGCDHN [O-]c1cc2c(cc1C[NH+]1CCC(c3ccsc3)CC1)[C@H](O)CO2 ZINC000776781599 1304198415 /nfs/dbraw/zinc/19/84/15/1304198415.db2.gz LYBJHFCPXYDQBY-QGZVFWFLSA-N 0 3 331.437 3.259 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCN(C3CC3)C2)c1[O-] ZINC000779021702 1304519668 /nfs/dbraw/zinc/51/96/68/1304519668.db2.gz GKGGOKZAXIXXAD-DGCLKSJQSA-N 0 3 339.277 3.350 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCc2cnccn2)c1[O-] ZINC000779040325 1304522160 /nfs/dbraw/zinc/52/21/60/1304522160.db2.gz HRVJUZXDQDUWSR-LLVKDONJSA-N 0 3 336.233 3.146 20 10 EGCDHN [O-]c1ccc(F)cc1C[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000779088959 1304527759 /nfs/dbraw/zinc/52/77/59/1304527759.db2.gz WVYDTWKAFAVDTQ-UHFFFAOYSA-N 0 3 329.400 3.382 20 10 EGCDHN C[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccsc1 ZINC000891254131 1305001208 /nfs/dbraw/zinc/00/12/08/1305001208.db2.gz VWHHXTKZXHTCQF-KBXCAEBGSA-N 0 3 345.512 3.337 20 10 EGCDHN [O-]c1ccccc1C[N@H+](Cc1cnc2n1CCOC2)C1CCCCC1 ZINC000891436420 1305050149 /nfs/dbraw/zinc/05/01/49/1305050149.db2.gz MGRVGBUMHGDVMQ-UHFFFAOYSA-N 0 3 341.455 3.454 20 10 EGCDHN [O-]c1ccccc1C[N@@H+](Cc1cnc2n1CCOC2)C1CCCCC1 ZINC000891436420 1305050153 /nfs/dbraw/zinc/05/01/53/1305050153.db2.gz MGRVGBUMHGDVMQ-UHFFFAOYSA-N 0 3 341.455 3.454 20 10 EGCDHN C[C@H]([NH2+][C@@H]1CCN(CCCc2ccccc2)C1=O)c1ccccc1[O-] ZINC000783517709 1305101888 /nfs/dbraw/zinc/10/18/88/1305101888.db2.gz IAAOHMFHHCENIP-QFBILLFUSA-N 0 3 338.451 3.277 20 10 EGCDHN O=S1(=O)CCCC[C@@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000784620012 1305265645 /nfs/dbraw/zinc/26/56/45/1305265645.db2.gz BOGBGRPBZCKYBV-GOSISDBHSA-N 0 3 345.464 3.116 20 10 EGCDHN CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc(OC)c(OC)c2[O-])C12CCC2 ZINC000892230143 1305288390 /nfs/dbraw/zinc/28/83/90/1305288390.db2.gz WCBNXFLLAXZIIB-HOTGVXAUSA-N 0 3 335.444 3.189 20 10 EGCDHN CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(OC)c(OC)c2[O-])C12CCC2 ZINC000892230143 1305288396 /nfs/dbraw/zinc/28/83/96/1305288396.db2.gz WCBNXFLLAXZIIB-HOTGVXAUSA-N 0 3 335.444 3.189 20 10 EGCDHN COc1ccc(CN[C@H]2CSCc3ccccc32)c(O)c1OC ZINC000892685212 1305508449 /nfs/dbraw/zinc/50/84/49/1305508449.db2.gz XYAPOJTVHDEKCR-HNNXBMFYSA-N 0 3 331.437 3.487 20 10 EGCDHN COc1ccccc1C(C)(C)NCc1ccc(OC)c(OC)c1O ZINC000892874696 1305589370 /nfs/dbraw/zinc/58/93/70/1305589370.db2.gz AHHVMJHNXGIADF-UHFFFAOYSA-N 0 3 331.412 3.443 20 10 EGCDHN COc1ccc(CN[C@H](C)c2ccc(N3CCNC3=O)cc2)cc1C ZINC000786820294 1305635337 /nfs/dbraw/zinc/63/53/37/1305635337.db2.gz DMVQPKXTSVGERU-OAHLLOKOSA-N 0 3 339.439 3.384 20 10 EGCDHN COc1ccc(CN[C@@H]2CCOc3c(F)cccc32)c(O)c1OC ZINC000893898970 1306121206 /nfs/dbraw/zinc/12/12/06/1306121206.db2.gz YLMUNMKKHWNIJE-CQSZACIVSA-N 0 3 333.359 3.162 20 10 EGCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000893962847 1306149677 /nfs/dbraw/zinc/14/96/77/1306149677.db2.gz UCWXYRFVVJENFI-ZDUSSCGKSA-N 0 3 344.402 3.373 20 10 EGCDHN C[N@H+](Cc1ccccc1[O-])C[C@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000893962847 1306149681 /nfs/dbraw/zinc/14/96/81/1306149681.db2.gz UCWXYRFVVJENFI-ZDUSSCGKSA-N 0 3 344.402 3.373 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@]2(CO)CC(C)C)c1[O-] ZINC000789592294 1306188545 /nfs/dbraw/zinc/18/85/45/1306188545.db2.gz AZKYSXOIDWWXFK-KRWDZBQOSA-N 0 3 327.852 3.427 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@]2(CO)CC(C)C)c1[O-] ZINC000789592294 1306188550 /nfs/dbraw/zinc/18/85/50/1306188550.db2.gz AZKYSXOIDWWXFK-KRWDZBQOSA-N 0 3 327.852 3.427 20 10 EGCDHN CCn1ccc(CN(C)Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000792184229 1309138834 /nfs/dbraw/zinc/13/88/34/1309138834.db2.gz TXTAXDMSCKVIQD-UHFFFAOYSA-N 0 3 331.435 3.116 20 10 EGCDHN COc1ccc(O)c(CNCc2ccnn2-c2ccc(F)cc2)c1 ZINC000792984177 1309275224 /nfs/dbraw/zinc/27/52/24/1309275224.db2.gz SAVANERQJRDYLK-UHFFFAOYSA-N 0 3 327.359 3.015 20 10 EGCDHN C[C@@H](O)[C@@H]1CCCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000793060374 1309289708 /nfs/dbraw/zinc/28/97/08/1309289708.db2.gz AXHKFPHLFSUOFJ-CHWSQXEVSA-N 0 3 330.394 3.364 20 10 EGCDHN C[C@]1(O)CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000793250115 1309330053 /nfs/dbraw/zinc/33/00/53/1309330053.db2.gz KOOMRIUUTTWONZ-IBGZPJMESA-N 0 3 347.459 3.322 20 10 EGCDHN COc1ccc(CNCc2cccc(OC)c2OC(C)C)c(O)c1 ZINC000793388456 1309361302 /nfs/dbraw/zinc/36/13/02/1309361302.db2.gz OGAMUMILRQGOBT-UHFFFAOYSA-N 0 3 331.412 3.486 20 10 EGCDHN COc1ccc(C[NH2+]Cc2cccc(OC)c2OC(C)C)c([O-])c1 ZINC000793388456 1309361308 /nfs/dbraw/zinc/36/13/08/1309361308.db2.gz OGAMUMILRQGOBT-UHFFFAOYSA-N 0 3 331.412 3.486 20 10 EGCDHN COc1ccc(C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)c([O-])c1 ZINC000793389639 1309362564 /nfs/dbraw/zinc/36/25/64/1309362564.db2.gz KWQCEBSWXIVXSC-UHFFFAOYSA-N 0 3 329.396 3.336 20 10 EGCDHN Cc1cc(CN2CCO[C@@]3(CCO[C@H]3C)C2)c(O)c(C(C)(C)C)c1 ZINC000794666024 1309566354 /nfs/dbraw/zinc/56/63/54/1309566354.db2.gz MIGREUKPHJINHY-YWZLYKJASA-N 0 3 333.472 3.378 20 10 EGCDHN Cc1cccc([O-])c1C[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898449394 1310740489 /nfs/dbraw/zinc/74/04/89/1310740489.db2.gz DKZOMNBBEJIGEZ-LJQANCHMSA-N 0 3 327.472 3.159 20 10 EGCDHN CC(C)[C@@H](C)N(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899101648 1310933381 /nfs/dbraw/zinc/93/33/81/1310933381.db2.gz KHFBXYVUSYKYHB-CRAIPNDOSA-N 0 3 334.508 3.041 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+](C)CC2=CCCOC2)c1[O-] ZINC000827188839 1320432425 /nfs/dbraw/zinc/43/24/25/1320432425.db2.gz BUDYJRLUPRPWCZ-UHFFFAOYSA-N 0 3 326.234 3.242 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+](C)CC2=CCCOC2)c1[O-] ZINC000827188839 1320432429 /nfs/dbraw/zinc/43/24/29/1320432429.db2.gz BUDYJRLUPRPWCZ-UHFFFAOYSA-N 0 3 326.234 3.242 20 10 EGCDHN COc1ccc(N2CCCN(Cc3cc(C)cc(C)n3)CC2)cc1 ZINC000929314526 1328565401 /nfs/dbraw/zinc/56/54/01/1328565401.db2.gz BOJDNRWXDAPWEC-UHFFFAOYSA-N 0 3 325.456 3.419 20 10 EGCDHN [O-]c1ccc(F)cc1C[N@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000802659740 1317023578 /nfs/dbraw/zinc/02/35/78/1317023578.db2.gz UXSCWAIGIWXFHB-UHFFFAOYSA-N 0 3 338.386 3.277 20 10 EGCDHN [O-]c1ccc(F)cc1C[N@@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000802659740 1317023585 /nfs/dbraw/zinc/02/35/85/1317023585.db2.gz UXSCWAIGIWXFHB-UHFFFAOYSA-N 0 3 338.386 3.277 20 10 EGCDHN CN(C)c1cc(F)c(CNC[C@@](C)(O)c2cccs2)cc1F ZINC000858142548 1328694496 /nfs/dbraw/zinc/69/44/96/1328694496.db2.gz DYCJBHRTXASJHG-MRXNPFEDSA-N 0 3 326.412 3.090 20 10 EGCDHN CN(C)c1cc(F)c(CNC[C@](C)(O)c2cccs2)cc1F ZINC000858142547 1328694729 /nfs/dbraw/zinc/69/47/29/1328694729.db2.gz DYCJBHRTXASJHG-INIZCTEOSA-N 0 3 326.412 3.090 20 10 EGCDHN CNc1ccccc1CNCc1ccc(N2CCC(CO)CC2)cc1 ZINC000902096976 1317521518 /nfs/dbraw/zinc/52/15/18/1317521518.db2.gz HXCHMPKXJIDKGB-UHFFFAOYSA-N 0 3 339.483 3.227 20 10 EGCDHN CCN(CC)c1ccc(CN[C@@H]2COc3ccccc3[C@H]2O)cc1F ZINC000808452791 1317679950 /nfs/dbraw/zinc/67/99/50/1317679950.db2.gz QPJRSYIJRPHRCT-YLJYHZDGSA-N 0 3 344.430 3.256 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCS(=O)(=O)C(C)(C)C)c1[O-] ZINC000808706195 1317719870 /nfs/dbraw/zinc/71/98/70/1317719870.db2.gz ZCMWTEJBMDDCKR-NSHDSACASA-N 0 3 333.881 3.218 20 10 EGCDHN CC(C)[C@@H](CO)C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000809723486 1317877642 /nfs/dbraw/zinc/87/76/42/1317877642.db2.gz IOMHVGZLSXXCNK-GOSISDBHSA-N 0 3 329.440 3.325 20 10 EGCDHN C[C@H](N[C@@H]1CC(=O)N(c2ccccc2F)C1)c1ccc(N(C)C)cc1 ZINC000812739805 1318446882 /nfs/dbraw/zinc/44/68/82/1318446882.db2.gz DYDWAGQKEQDHQT-GOEBONIOSA-N 0 3 341.430 3.348 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]Cc2ccc3cnn(C)c3c2)c1[O-] ZINC000812771625 1318450521 /nfs/dbraw/zinc/45/05/21/1318450521.db2.gz BWUAKCOUXBBTPB-UHFFFAOYSA-N 0 3 331.803 3.231 20 10 EGCDHN COCC(C)(C)[N@H+](C)Cc1cc(Br)cc(OC)c1[O-] ZINC000814178117 1318690967 /nfs/dbraw/zinc/69/09/67/1318690967.db2.gz CMYOOFQJZJPZEU-UHFFFAOYSA-N 0 3 332.238 3.020 20 10 EGCDHN COCC(C)(C)[N@@H+](C)Cc1cc(Br)cc(OC)c1[O-] ZINC000814178117 1318690976 /nfs/dbraw/zinc/69/09/76/1318690976.db2.gz CMYOOFQJZJPZEU-UHFFFAOYSA-N 0 3 332.238 3.020 20 10 EGCDHN COC[C@](C)(O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815579835 1319021085 /nfs/dbraw/zinc/02/10/85/1319021085.db2.gz WFDJXPMGEVOFGQ-AZUAARDMSA-N 0 3 329.440 3.053 20 10 EGCDHN Cc1cc(N(C)C)ccc1CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815580279 1319021573 /nfs/dbraw/zinc/02/15/73/1319021573.db2.gz GPOCYTWIXAJTDD-CYBMUJFWSA-N 0 3 328.416 3.402 20 10 EGCDHN [O-]c1c(C[NH+]2CCN(Cc3ccccn3)CC2)ccc2ccccc21 ZINC000816482750 1319163903 /nfs/dbraw/zinc/16/39/03/1319163903.db2.gz RREGFDLGEOXVDH-UHFFFAOYSA-N 0 3 333.435 3.258 20 10 EGCDHN CC[NH+](CC)CCO[C@@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816516851 1319173095 /nfs/dbraw/zinc/17/30/95/1319173095.db2.gz TWIXVBFRKQQKFH-CQSZACIVSA-N 0 3 344.858 3.117 20 10 EGCDHN COc1cccc(N2CCN(Cc3cc(C)cc(OC)c3O)CC2)c1 ZINC000915812236 1319540616 /nfs/dbraw/zinc/54/06/16/1319540616.db2.gz BUDIRTKFPVFMNS-UHFFFAOYSA-N 0 3 342.439 3.040 20 10 EGCDHN Cc1cc(N(C)C)ccc1CNCC(=O)Nc1ccc(F)c(F)c1 ZINC000822489528 1320087715 /nfs/dbraw/zinc/08/77/15/1320087715.db2.gz DKWAGGASVCHNNQ-UHFFFAOYSA-N 0 3 333.382 3.068 20 10 EGCDHN COc1ccc(N2CCC(NCc3cc(F)ncc3F)CC2)cc1 ZINC000823756804 1320203420 /nfs/dbraw/zinc/20/34/20/1320203420.db2.gz AJTIUWCISNXLAO-UHFFFAOYSA-N 0 3 333.382 3.127 20 10 EGCDHN CO[C@H]1COCC[C@@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000824708007 1320279078 /nfs/dbraw/zinc/27/90/78/1320279078.db2.gz CGICYFZLXWVXDP-XLIONFOSSA-N 0 3 327.424 3.200 20 10 EGCDHN CC(C)(C)O[C@@H]1C[C@H](NCc2ccc3c(c2)CCO3)[C@@H]1n1cccn1 ZINC000825117828 1320312368 /nfs/dbraw/zinc/31/23/68/1320312368.db2.gz LKWJHYDZCBRFBP-UHOSZYNNSA-N 0 3 341.455 3.105 20 10 EGCDHN CCCN1CC[C@H]([NH2+]Cc2cc(Br)cc(C)c2[O-])C1 ZINC000827518810 1320458414 /nfs/dbraw/zinc/45/84/14/1320458414.db2.gz FHZXLQQROSGAMU-AWEZNQCLSA-N 0 3 327.266 3.037 20 10 EGCDHN C[C@H]1CN(c2ccccc2CNCc2ccc3c(c2)CCO3)CCO1 ZINC000838923325 1320835778 /nfs/dbraw/zinc/83/57/78/1320835778.db2.gz REGVFVHRCPKUAO-INIZCTEOSA-N 0 3 338.451 3.136 20 10 EGCDHN [O-]c1ccc(F)cc1C[NH2+][C@H](c1ccccc1)C1(CO)CCOCC1 ZINC000840972050 1321191242 /nfs/dbraw/zinc/19/12/42/1321191242.db2.gz GEZCAEMBWJCPLH-LJQANCHMSA-N 0 3 345.414 3.151 20 10 EGCDHN C[C@@H]1[C@@H](CO)CCCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000840976564 1321192219 /nfs/dbraw/zinc/19/22/19/1321192219.db2.gz DKPMSUSOYKZHHA-NVXWUHKLSA-N 0 3 347.459 3.178 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+][C@H](CO)CC2CCCCC2)c1[O-] ZINC000841894511 1321328867 /nfs/dbraw/zinc/32/88/67/1321328867.db2.gz XUTHSAFVMQWZTP-HNNXBMFYSA-N 0 3 327.852 3.475 20 10 EGCDHN Fc1cc(CNCc2cccc3c2CCC3)ccc1N1CCOCC1 ZINC000845924628 1321754142 /nfs/dbraw/zinc/75/41/42/1321754142.db2.gz MWAUMZGAXKQGFX-UHFFFAOYSA-N 0 3 340.442 3.441 20 10 EGCDHN C[C@H](c1ccccc1)[N@H+](CC[C@H]1CCNC1=O)Cc1ccccc1[O-] ZINC000846839914 1321815110 /nfs/dbraw/zinc/81/51/10/1321815110.db2.gz HUJVRCVVPWWSEZ-SJLPKXTDSA-N 0 3 338.451 3.482 20 10 EGCDHN C[C@H](c1ccccc1)[N@@H+](CC[C@H]1CCNC1=O)Cc1ccccc1[O-] ZINC000846839914 1321815113 /nfs/dbraw/zinc/81/51/13/1321815113.db2.gz HUJVRCVVPWWSEZ-SJLPKXTDSA-N 0 3 338.451 3.482 20 10 EGCDHN CCc1cccc(CNCc2cc(OC)c(OC)cc2OC)c1O ZINC000848891378 1322031456 /nfs/dbraw/zinc/03/14/56/1322031456.db2.gz QFJGLQVCSVNNJY-UHFFFAOYSA-N 0 3 331.412 3.270 20 10 EGCDHN CCc1cccc(CN[C@H](CC(N)=O)c2cccc(Cl)c2)c1O ZINC000848902792 1322038459 /nfs/dbraw/zinc/03/84/59/1322038459.db2.gz SWOHSVVODZQDFV-MRXNPFEDSA-N 0 3 332.831 3.314 20 10 EGCDHN COc1cc(CN[C@H]2c3ccccc3C[C@@H]2O)c(O)c(C(C)(C)C)c1 ZINC000850181327 1322203146 /nfs/dbraw/zinc/20/31/46/1322203146.db2.gz SGKCZTXIDTVKSK-OALUTQOASA-N 0 3 341.451 3.446 20 10 EGCDHN OC/C=C/CNCc1ccc(N2CCCCC2)c(Br)c1 ZINC000850357763 1322233589 /nfs/dbraw/zinc/23/35/89/1322233589.db2.gz UQHZXAPSXLVZPM-GORDUTHDSA-N 0 3 339.277 3.078 20 10 EGCDHN COC(=O)NC1CCN(Cc2ccc(N3CCCCC3)c(C)c2)CC1 ZINC000852764156 1323238259 /nfs/dbraw/zinc/23/82/59/1323238259.db2.gz BIBCZAGNNIMUCA-UHFFFAOYSA-N 0 3 345.487 3.306 20 10 EGCDHN [O-]c1cccc(Br)c1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000862247650 1329470914 /nfs/dbraw/zinc/47/09/14/1329470914.db2.gz KPUCMYSLPFCKOJ-ZDUSSCGKSA-N 0 3 339.277 3.072 20 10 EGCDHN C[C@@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)c1ccc(S(C)(=O)=O)cc1 ZINC000866535462 1330123233 /nfs/dbraw/zinc/12/32/33/1330123233.db2.gz DPDLFAHZOFDVSJ-SUMWQHHRSA-N 0 3 345.464 3.176 20 10 EGCDHN Cc1ccc(N2C[C@@]3(CC[N@H+](Cc4ccccc4[O-])C3)CC2=O)s1 ZINC001203552287 1370166807 /nfs/dbraw/zinc/16/68/07/1370166807.db2.gz HWZRTEWJLAIMMD-IBGZPJMESA-N 0 3 342.464 3.391 20 10 EGCDHN Cc1ccc(N2C[C@@]3(CC[N@@H+](Cc4ccccc4[O-])C3)CC2=O)s1 ZINC001203552287 1370166810 /nfs/dbraw/zinc/16/68/10/1370166810.db2.gz HWZRTEWJLAIMMD-IBGZPJMESA-N 0 3 342.464 3.391 20 10 EGCDHN O=C1Nc2ccccc2CN1C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001203556327 1370168202 /nfs/dbraw/zinc/16/82/02/1370168202.db2.gz MSVNOHQSMFMETC-UHFFFAOYSA-N 0 3 337.423 3.404 20 10 EGCDHN COc1ccc(CN2CCN([C@@H](C)c3ccccc3)CC2)c(O)c1 ZINC001203628049 1370193266 /nfs/dbraw/zinc/19/32/66/1370193266.db2.gz WQIOCUNCSYFKBG-INIZCTEOSA-N 0 3 326.440 3.280 20 10 EGCDHN COc1ccc(O)c(CN2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)c1 ZINC001203680218 1370216249 /nfs/dbraw/zinc/21/62/49/1370216249.db2.gz MAKLJFAIUIQLQS-OKILXGFUSA-N 0 3 347.418 3.431 20 10 EGCDHN CN(C)c1ccc(CN2C[C@@H](NC(=O)OC(C)(C)C)C3(CC3)C2)cc1 ZINC001203930468 1370317879 /nfs/dbraw/zinc/31/78/79/1370317879.db2.gz UWUDLSSECGNUQW-QGZVFWFLSA-N 0 3 345.487 3.242 20 10 EGCDHN CN(C)c1ccc(CN2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)cc1 ZINC001203931976 1370319873 /nfs/dbraw/zinc/31/98/73/1370319873.db2.gz ZXAYZEDVGQLDSG-AEFFLSMTSA-N 0 3 345.487 3.194 20 10 EGCDHN CN(C)c1ccc(CN2CCC(Oc3ccc(Cl)nn3)CC2)cc1 ZINC001203937567 1370322341 /nfs/dbraw/zinc/32/23/41/1370322341.db2.gz XOBXBJOPJFHELV-UHFFFAOYSA-N 0 3 346.862 3.239 20 10 EGCDHN C[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)CC[C@@]1(O)C(F)(F)F ZINC001204325851 1370444863 /nfs/dbraw/zinc/44/48/63/1370444863.db2.gz WBKPXMQKIHDYKJ-PBHICJAKSA-N 0 3 342.405 3.422 20 10 EGCDHN Cc1cc([O-])c(CN2C[C@H](C)CC[C@@H]2C[NH3+])cc1Br ZINC001205855962 1370894020 /nfs/dbraw/zinc/89/40/20/1370894020.db2.gz RGDWOBXHDPYHHQ-ZWNOBZJWSA-N 0 3 327.266 3.022 20 10 EGCDHN COc1ccc(Br)c(CN2CC[C@@](C)(CF)C2)c1O ZINC001231548193 1376262170 /nfs/dbraw/zinc/26/21/70/1376262170.db2.gz PGPMISNYONFKIG-AWEZNQCLSA-N 0 3 332.213 3.345 20 10 EGCDHN C[C@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC[C@]1(C)O ZINC001233726409 1376703755 /nfs/dbraw/zinc/70/37/55/1376703755.db2.gz CXYLUCNKUQDFPT-NHYWBVRUSA-N 0 3 333.350 3.274 20 10 EGCDHN C[C@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC[C@]1(C)O ZINC001233726409 1376703760 /nfs/dbraw/zinc/70/37/60/1376703760.db2.gz CXYLUCNKUQDFPT-NHYWBVRUSA-N 0 3 333.350 3.274 20 10 EGCDHN CC1(C)C[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])[C@@](C)(CO)C1 ZINC001233728470 1376704073 /nfs/dbraw/zinc/70/40/73/1376704073.db2.gz XMEXRLALHHSGAH-OAHLLOKOSA-N 0 3 333.350 3.274 20 10 EGCDHN CC1(C)C[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])[C@@](C)(CO)C1 ZINC001233728470 1376704076 /nfs/dbraw/zinc/70/40/76/1376704076.db2.gz XMEXRLALHHSGAH-OAHLLOKOSA-N 0 3 333.350 3.274 20 10 EGCDHN Cc1cnc(O[C@H]2CC[N@@H+](Cc3ccc(C(C)C)cc3[O-])C2)nc1 ZINC001237051011 1376972391 /nfs/dbraw/zinc/97/23/91/1376972391.db2.gz GRTMYUPYJYQPTI-KRWDZBQOSA-N 0 3 327.428 3.267 20 10 EGCDHN Cc1cnc(O[C@H]2CC[N@H+](Cc3ccc(C(C)C)cc3[O-])C2)nc1 ZINC001237051011 1376972398 /nfs/dbraw/zinc/97/23/98/1376972398.db2.gz GRTMYUPYJYQPTI-KRWDZBQOSA-N 0 3 327.428 3.267 20 10 EGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@@]2(CCCO2)C1 ZINC001237054189 1376972407 /nfs/dbraw/zinc/97/24/07/1376972407.db2.gz WMCKXNOMALCIAW-HNNXBMFYSA-N 0 3 331.334 3.088 20 10 EGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CC[C@@]2(CCCO2)C1 ZINC001237054189 1376972410 /nfs/dbraw/zinc/97/24/10/1376972410.db2.gz WMCKXNOMALCIAW-HNNXBMFYSA-N 0 3 331.334 3.088 20 10 EGCDHN COC(=O)[C@@H]1C[C@H](C)C[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])C1 ZINC001237141384 1376975974 /nfs/dbraw/zinc/97/59/74/1376975974.db2.gz WIVKHKILBLIYAA-CMPLNLGQSA-N 0 3 331.334 3.042 20 10 EGCDHN COC(=O)[C@@H]1C[C@H](C)C[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])C1 ZINC001237141384 1376975979 /nfs/dbraw/zinc/97/59/79/1376975979.db2.gz WIVKHKILBLIYAA-CMPLNLGQSA-N 0 3 331.334 3.042 20 10 EGCDHN COC(=O)[C@@H]1C[C@H](C)CN(Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237141384 1376975985 /nfs/dbraw/zinc/97/59/85/1376975985.db2.gz WIVKHKILBLIYAA-CMPLNLGQSA-N 0 3 331.334 3.042 20 10 EGCDHN O=C1COC2(C1)CCN(Cc1ccc(N3CCCCC3)cc1)CC2 ZINC001138215662 1377690318 /nfs/dbraw/zinc/69/03/18/1377690318.db2.gz NHZZDTOLVJHKNJ-UHFFFAOYSA-N 0 3 328.456 3.001 20 10 EGCDHN CCNC(=O)OC1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC001138220871 1377690918 /nfs/dbraw/zinc/69/09/18/1377690918.db2.gz RDZPTZUKACRBQQ-UHFFFAOYSA-N 0 3 345.487 3.387 20 10 EGCDHN CCN(CC)c1ccc(CN2CC(N3CCCCC3)C2)c(OC)c1 ZINC001138390489 1377714390 /nfs/dbraw/zinc/71/43/90/1377714390.db2.gz YVCYVTRXOHGYPW-UHFFFAOYSA-N 0 3 331.504 3.212 20 10 EGCDHN FC[C@@]1(C(F)(F)F)CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138496098 1377733718 /nfs/dbraw/zinc/73/37/18/1377733718.db2.gz PRIVFDDFJNACHX-INIZCTEOSA-N 0 3 346.368 3.247 20 10 EGCDHN Cc1cncnc1O[C@@H]1CCCN(Cc2ccc(N(C)C)c(C)c2)C1 ZINC001139673862 1377931831 /nfs/dbraw/zinc/93/18/31/1377931831.db2.gz GPDQLPSZAQIGAZ-GOSISDBHSA-N 0 3 340.471 3.203 20 10 EGCDHN CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cc(F)ccc1[O-] ZINC001140063061 1377999521 /nfs/dbraw/zinc/99/95/21/1377999521.db2.gz JKHFHFRWCDZVFK-CQDKDKBSSA-N 0 3 336.407 3.019 20 10 EGCDHN CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[N@H+]2Cc1cc(F)ccc1[O-] ZINC001140063061 1377999524 /nfs/dbraw/zinc/99/95/24/1377999524.db2.gz JKHFHFRWCDZVFK-CQDKDKBSSA-N 0 3 336.407 3.019 20 10 EGCDHN CC(C)C(=O)N[C@@H]1CCCN(Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143116404 1378542901 /nfs/dbraw/zinc/54/29/01/1378542901.db2.gz AFJYXXKMBYCNOJ-MRXNPFEDSA-N 0 3 332.488 3.426 20 10 EGCDHN Oc1cc(O)c(CN2CCc3cccc(C(F)(F)F)c3C2)c(O)c1 ZINC001144515178 1378740029 /nfs/dbraw/zinc/74/00/29/1378740029.db2.gz GXGUVTBDLOBTHQ-UHFFFAOYSA-N 0 3 339.313 3.381 20 10 EGCDHN CC[N@H+](Cc1ccccc1[O-])[C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172681910 1384833179 /nfs/dbraw/zinc/83/31/79/1384833179.db2.gz NILQQISHTOVQIB-IBGZPJMESA-N 0 3 338.451 3.405 20 10 EGCDHN CC[N@@H+](Cc1ccccc1[O-])[C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172681910 1384833184 /nfs/dbraw/zinc/83/31/84/1384833184.db2.gz NILQQISHTOVQIB-IBGZPJMESA-N 0 3 338.451 3.405 20 10 EGCDHN C[C@H](c1ccccn1)N(C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001319946515 1386409605 /nfs/dbraw/zinc/40/96/05/1386409605.db2.gz NOTOSQCPAOWAFC-MRXNPFEDSA-N 0 3 342.462 3.166 20 10 EGCDHN C[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)CC2(CCOCC2)O1 ZINC001321440689 1386905715 /nfs/dbraw/zinc/90/57/15/1386905715.db2.gz QJKXAKAEORSEHE-QGZVFWFLSA-N 0 3 330.472 3.057 20 10 EGCDHN CCn1c(C2SC=CC2=O)nnc1N1CCCN(C(C)(C)C)CC1 ZINC001342570126 1390627358 /nfs/dbraw/zinc/62/73/58/1390627358.db2.gz QONDASOIFBGOQN-UHFFFAOYSA-N 0 3 349.504 3.043 20 10 EGCDHN COc1ccc(CNC2(CNC(=O)CC(C)=C(C)C)CC2)cc1C ZINC001754528229 1440621700 /nfs/dbraw/zinc/62/17/00/1440621700.db2.gz PUFVWTCLUCSSQN-UHFFFAOYSA-N 0 3 330.472 3.488 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCc2cnn(C)c2)c1[O-] ZINC000275320561 456272709 /nfs/dbraw/zinc/27/27/09/456272709.db2.gz KZFYXWDKTBRONR-LLVKDONJSA-N 0 3 338.249 3.090 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C[C@H]1CCCOC1 ZINC000183138740 455237267 /nfs/dbraw/zinc/23/72/67/455237267.db2.gz WVPUJEJDGCPSKZ-QGZVFWFLSA-N 0 3 327.424 3.487 20 10 EGCDHN Oc1cc2c(cc1CNCc1cccc(C(F)(F)F)c1)OCO2 ZINC000238131559 455255758 /nfs/dbraw/zinc/25/57/58/455255758.db2.gz BMSSZDPRLGXVLG-UHFFFAOYSA-N 0 3 325.286 3.430 20 10 EGCDHN Oc1cc2c(cc1CN1CCC(Oc3ccccc3)CC1)OCO2 ZINC000057105269 454102924 /nfs/dbraw/zinc/10/29/24/454102924.db2.gz BFTRXGOLIMEBEN-UHFFFAOYSA-N 0 3 327.380 3.164 20 10 EGCDHN CN(Cc1ccccc1O)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000057174221 454108898 /nfs/dbraw/zinc/10/88/98/454108898.db2.gz VYBRVDASQHKQRR-UHFFFAOYSA-N 0 3 338.451 3.263 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@](C)(O)c2cc(C)oc2C)c1[O-] ZINC000184709298 455433356 /nfs/dbraw/zinc/43/33/56/455433356.db2.gz RNINIYSHLFLWAM-QGZVFWFLSA-N 0 3 339.819 3.261 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2)c1[O-] ZINC000184710842 455434599 /nfs/dbraw/zinc/43/45/99/455434599.db2.gz LFPSTUPDUXMWCU-QGZVFWFLSA-N 0 3 339.794 3.191 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCn2c(C)nc3ccccc32)c1 ZINC000120652233 454330860 /nfs/dbraw/zinc/33/08/60/454330860.db2.gz TXOSBKFLUQBBSO-ZDUSSCGKSA-N 0 3 325.412 3.410 20 10 EGCDHN CCCOc1ccc(C[NH+]2CCC(c3nc(C)no3)CC2)c([O-])c1 ZINC000091836269 454479470 /nfs/dbraw/zinc/47/94/70/454479470.db2.gz IPGZMTVATFJNFJ-UHFFFAOYSA-N 0 3 331.416 3.252 20 10 EGCDHN Cc1ccc(O)c(CN2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c1 ZINC000092704724 454613735 /nfs/dbraw/zinc/61/37/35/454613735.db2.gz IJLJOZRNJOMZLS-KRWDZBQOSA-N 0 3 343.402 3.236 20 10 EGCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c1 ZINC000092704724 454613739 /nfs/dbraw/zinc/61/37/39/454613739.db2.gz IJLJOZRNJOMZLS-KRWDZBQOSA-N 0 3 343.402 3.236 20 10 EGCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c1 ZINC000092704724 454613744 /nfs/dbraw/zinc/61/37/44/454613744.db2.gz IJLJOZRNJOMZLS-KRWDZBQOSA-N 0 3 343.402 3.236 20 10 EGCDHN CCCOc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)CCC)C2)c([O-])c1 ZINC000092707877 454615666 /nfs/dbraw/zinc/61/56/66/454615666.db2.gz NZMQGKZHPLVRAU-MRXNPFEDSA-N 0 3 348.487 3.309 20 10 EGCDHN CCCOc1ccc(C[N@H+]2CCC[C@H](CNC(=O)CCC)C2)c([O-])c1 ZINC000092707877 454615671 /nfs/dbraw/zinc/61/56/71/454615671.db2.gz NZMQGKZHPLVRAU-MRXNPFEDSA-N 0 3 348.487 3.309 20 10 EGCDHN CSc1nnc(CCC[NH2+]Cc2ccccc2[O-])n1CC(C)C ZINC000114216032 454947969 /nfs/dbraw/zinc/94/79/69/454947969.db2.gz QJHUBSYGTHBQIF-UHFFFAOYSA-N 0 3 334.489 3.084 20 10 EGCDHN CC[C@@H]([NH2+]Cc1ccc(OCCO)c(OC)c1)c1ccccc1[O-] ZINC000155244636 454979080 /nfs/dbraw/zinc/97/90/80/454979080.db2.gz OLRQKYQXFWAHRU-MRXNPFEDSA-N 0 3 331.412 3.013 20 10 EGCDHN CN(C)c1ccc(CN2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000179736480 455071393 /nfs/dbraw/zinc/07/13/93/455071393.db2.gz NRINXBBLOQUAFB-INIZCTEOSA-N 0 3 333.476 3.099 20 10 EGCDHN C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3cc(F)ccc3[O-])CC2)C1 ZINC000179942265 455103189 /nfs/dbraw/zinc/10/31/89/455103189.db2.gz ZKPDYWSRIYCQCT-CQSZACIVSA-N 0 3 334.435 3.002 20 10 EGCDHN CCNC(=O)c1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000156493585 455125394 /nfs/dbraw/zinc/12/53/94/455125394.db2.gz SJVDFYOGPFBHLL-OAHLLOKOSA-N 0 3 325.456 3.353 20 10 EGCDHN Cc1cccc([C@@H](C[NH2+][C@@H](C)c2ccccc2[O-])N2CCOCC2)c1 ZINC000183415519 455290961 /nfs/dbraw/zinc/29/09/61/455290961.db2.gz YBAVKOZXEXPCDB-FXAWDEMLSA-N 0 3 340.467 3.425 20 10 EGCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F ZINC000180616834 455210156 /nfs/dbraw/zinc/21/01/56/455210156.db2.gz FLSDHDMAGKKTNX-OAHLLOKOSA-N 0 3 329.293 3.071 20 10 EGCDHN CN(C)c1ccc(CNCc2ccnc(N3CCCC3)c2)cc1F ZINC000264946571 455298653 /nfs/dbraw/zinc/29/86/53/455298653.db2.gz ITSYDBQRIKSZEE-UHFFFAOYSA-N 0 3 328.435 3.177 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c1[O-] ZINC000245637640 455345629 /nfs/dbraw/zinc/34/56/29/455345629.db2.gz CKIAYLIRBAMINM-WFASDCNBSA-N 0 3 340.261 3.464 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c1[O-] ZINC000245637640 455345636 /nfs/dbraw/zinc/34/56/36/455345636.db2.gz CKIAYLIRBAMINM-WFASDCNBSA-N 0 3 340.261 3.464 20 10 EGCDHN FC(F)Oc1ccc(N2CCC[C@@H](NCc3ccncc3)C2)cc1 ZINC000174621520 455407450 /nfs/dbraw/zinc/40/74/50/455407450.db2.gz JAVBQMPEYUIETL-OAHLLOKOSA-N 0 3 333.382 3.442 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]C[C@](C)(O)c2ccc(F)cc2)c1[O-] ZINC000184710860 455434048 /nfs/dbraw/zinc/43/40/48/455434048.db2.gz LFPSTUPDUXMWCU-KRWDZBQOSA-N 0 3 339.794 3.191 20 10 EGCDHN COc1cc(N2CCN(C[C@H]3CC=CCC3)CC2)cc(OC)c1OC ZINC000184753669 455442707 /nfs/dbraw/zinc/44/27/07/455442707.db2.gz HRJGFTFBYBVTQY-INIZCTEOSA-N 0 3 346.471 3.191 20 10 EGCDHN COc1ccccc1[C@@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000160276420 455444038 /nfs/dbraw/zinc/44/40/38/455444038.db2.gz ZZJNBYUMMFDKOU-CQSZACIVSA-N 0 3 343.423 3.408 20 10 EGCDHN COc1ccccc1[C@@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000160276420 455444041 /nfs/dbraw/zinc/44/40/41/455444041.db2.gz ZZJNBYUMMFDKOU-CQSZACIVSA-N 0 3 343.423 3.408 20 10 EGCDHN C[C@@H](NCc1ccccc1CS(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000160934939 455515734 /nfs/dbraw/zinc/51/57/34/455515734.db2.gz XYCRDGGQRRMVIO-OAHLLOKOSA-N 0 3 346.496 3.148 20 10 EGCDHN C[C@@H]([NH2+][C@@H](CO)Cc1c[nH]c2ccccc12)c1cc(F)ccc1[O-] ZINC000185464985 455561914 /nfs/dbraw/zinc/56/19/14/455561914.db2.gz JCWOVQAOJUIJLA-IUODEOHRSA-N 0 3 328.387 3.267 20 10 EGCDHN C[C@H]([NH2+]CCCNC(=O)C1CCC1)c1cc2c(cc1[O-])CCCC2 ZINC000186091925 455692153 /nfs/dbraw/zinc/69/21/53/455692153.db2.gz GFARKQTZJMNBCR-AWEZNQCLSA-N 0 3 330.472 3.228 20 10 EGCDHN COc1ccccc1N1CC[C@H]([NH2+][C@H](C)c2ccc(C)cc2[O-])C1=O ZINC000186102244 455694527 /nfs/dbraw/zinc/69/45/27/455694527.db2.gz VSKDFPKXQKFRRK-ZBFHGGJFSA-N 0 3 340.423 3.165 20 10 EGCDHN COc1cc(NCC[NH2+][C@H](C)c2ccc(C)cc2[O-])cc(OC)c1 ZINC000186154931 455705162 /nfs/dbraw/zinc/70/51/62/455705162.db2.gz JPPVKJXWHVVDSG-CQSZACIVSA-N 0 3 330.428 3.481 20 10 EGCDHN CC(C)n1cnnc1[C@@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC000193438565 455758234 /nfs/dbraw/zinc/75/82/34/455758234.db2.gz BEDWFJKSPOFCSA-QGZVFWFLSA-N 0 3 327.476 3.305 20 10 EGCDHN NC(=O)C[C@H](NCc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000293013002 455771738 /nfs/dbraw/zinc/77/17/38/455771738.db2.gz ODQZEBUOYCGXOY-FQEVSTJZSA-N 0 3 337.467 3.383 20 10 EGCDHN CCCC(=O)NC[C@H]1CCCN(Cc2ccc(N(C)C)c(C)c2)C1 ZINC000293039392 455772876 /nfs/dbraw/zinc/77/28/76/455772876.db2.gz JPZULPIVUUMKSY-GOSISDBHSA-N 0 3 331.504 3.189 20 10 EGCDHN C[C@H]([NH2+]Cc1cccc(N2CCOCC2)c1)c1cc(F)ccc1[O-] ZINC000293691800 455794771 /nfs/dbraw/zinc/79/47/71/455794771.db2.gz LEWRUSRSQZJOHQ-AWEZNQCLSA-N 0 3 330.403 3.219 20 10 EGCDHN COCC1(C[NH2+][C@H](C)c2cc3c(cc2[O-])CCCC3)CCOCC1 ZINC000293772594 455796859 /nfs/dbraw/zinc/79/68/59/455796859.db2.gz SSIQUUHIRGTYMW-OAHLLOKOSA-N 0 3 333.472 3.365 20 10 EGCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2c(C)cccc2C)c1 ZINC000271879027 455797274 /nfs/dbraw/zinc/79/72/74/455797274.db2.gz YPULWKSFXSTBCS-CQSZACIVSA-N 0 3 328.412 3.307 20 10 EGCDHN Cc1n[nH]c(CC[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])n1 ZINC000294072592 455804827 /nfs/dbraw/zinc/80/48/27/455804827.db2.gz HWGRFFACPVJPHH-GOSISDBHSA-N 0 3 336.439 3.325 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@](CO)(C(C)C)C2)c1[O-] ZINC000294127923 455806283 /nfs/dbraw/zinc/80/62/83/455806283.db2.gz UGBUQUJUBNEDQG-KRWDZBQOSA-N 0 3 327.852 3.285 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@](CO)(C(C)C)C2)c1[O-] ZINC000294127923 455806290 /nfs/dbraw/zinc/80/62/90/455806290.db2.gz UGBUQUJUBNEDQG-KRWDZBQOSA-N 0 3 327.852 3.285 20 10 EGCDHN CCCOc1ccc(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c([O-])c1 ZINC000278429351 455835108 /nfs/dbraw/zinc/83/51/08/455835108.db2.gz SYSFFEBXVFNKAC-BBRMVZONSA-N 0 3 347.377 3.316 20 10 EGCDHN CCCOc1ccc(C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c([O-])c1 ZINC000278429351 455835110 /nfs/dbraw/zinc/83/51/10/455835110.db2.gz SYSFFEBXVFNKAC-BBRMVZONSA-N 0 3 347.377 3.316 20 10 EGCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000279467337 455865934 /nfs/dbraw/zinc/86/59/34/455865934.db2.gz RUHBIWPYSUKDEA-UHFFFAOYSA-N 0 3 329.419 3.444 20 10 EGCDHN C[C@@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)CC2(CCOCC2)O1 ZINC000279769306 455872487 /nfs/dbraw/zinc/87/24/87/455872487.db2.gz NACHOGXJWHAKKC-OAHLLOKOSA-N 0 3 327.424 3.315 20 10 EGCDHN C[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)CC2(CCOCC2)O1 ZINC000279769306 455872492 /nfs/dbraw/zinc/87/24/92/455872492.db2.gz NACHOGXJWHAKKC-OAHLLOKOSA-N 0 3 327.424 3.315 20 10 EGCDHN Cc1c(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])cnn1C ZINC000187403289 455905724 /nfs/dbraw/zinc/90/57/24/455905724.db2.gz AIAGFYHJKHXHOS-JTQLQIEISA-N 0 3 338.249 3.356 20 10 EGCDHN CCN(C)c1ccc([C@H](C)NCC2(S(C)(=O)=O)CCCC2)cc1 ZINC000285861655 455929477 /nfs/dbraw/zinc/92/94/77/455929477.db2.gz ZSIDOHXKLKCBDG-HNNXBMFYSA-N 0 3 338.517 3.151 20 10 EGCDHN C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)c(F)c1[O-] ZINC000187674032 455937358 /nfs/dbraw/zinc/93/73/58/455937358.db2.gz FEUUYBYAYMHIHU-MJBXVCDLSA-N 0 3 342.430 3.210 20 10 EGCDHN C[C@H]1C[C@@H](NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)[C@H](C)O1 ZINC000296451092 455942627 /nfs/dbraw/zinc/94/26/27/455942627.db2.gz OENPLBJHWBPQPL-CIBFVHANSA-N 0 3 336.451 3.095 20 10 EGCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000270682991 456014107 /nfs/dbraw/zinc/01/41/07/456014107.db2.gz TXZKHRGFLHYSLC-APWZRJJASA-N 0 3 346.377 3.040 20 10 EGCDHN CCN(CC)c1ccc(CNCC2([S@@](C)=O)CCC2)cc1F ZINC000280742089 456042368 /nfs/dbraw/zinc/04/23/68/456042368.db2.gz WXYGPFVEEAQFBK-JOCHJYFZSA-N 0 3 326.481 3.063 20 10 EGCDHN COc1cccc(CNCc2ccc3c(c2)COC(C)(C)O3)c1O ZINC000289485613 456127058 /nfs/dbraw/zinc/12/70/58/456127058.db2.gz QYRCVTLATCXOAM-UHFFFAOYSA-N 0 3 329.396 3.336 20 10 EGCDHN CC[C@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)c1ccc(C)cc1[O-] ZINC000297161908 456138070 /nfs/dbraw/zinc/13/80/70/456138070.db2.gz CXOLRNAAMSYZOK-DQPZFDDXSA-N 0 3 339.501 3.345 20 10 EGCDHN CCCOc1ccc(C[NH2+]Cc2ccnc(N3CCCC3)c2)c([O-])c1 ZINC000263695419 456195022 /nfs/dbraw/zinc/19/50/22/456195022.db2.gz PXZVVWITTDLVMU-UHFFFAOYSA-N 0 3 341.455 3.466 20 10 EGCDHN Cc1ccc([C@@H](C)NCCS(=O)(=O)Cc2ccccc2)c(O)c1C ZINC000273396493 456227475 /nfs/dbraw/zinc/22/74/75/456227475.db2.gz LZTHHGKKIRQPCK-MRXNPFEDSA-N 0 3 347.480 3.275 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCc2ccc(OC)c(OC)c2OC)c1 ZINC000273432172 456230666 /nfs/dbraw/zinc/23/06/66/456230666.db2.gz VWNFCHYOMKTDAJ-LBPRGKRZSA-N 0 3 347.411 3.277 20 10 EGCDHN Cc1ccc([C@@H](C)N[C@H]2CCN(Cc3ccccc3)C2=O)c(O)c1C ZINC000273545466 456237837 /nfs/dbraw/zinc/23/78/37/456237837.db2.gz ZHCSZOKZVFHSDD-APWZRJJASA-N 0 3 338.451 3.461 20 10 EGCDHN C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1)c1ccc(F)cc1[O-] ZINC000273536974 456238003 /nfs/dbraw/zinc/23/80/03/456238003.db2.gz XOJXOZVMXSUQTC-XJKSGUPXSA-N 0 3 344.434 3.240 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C2CCN(c3nccs3)CC2)c1 ZINC000281526467 456257012 /nfs/dbraw/zinc/25/70/12/456257012.db2.gz HYHZIHPFFVDDFG-LBPRGKRZSA-N 0 3 333.457 3.177 20 10 EGCDHN COCCn1cc(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])cn1 ZINC000281970523 456377741 /nfs/dbraw/zinc/37/77/41/456377741.db2.gz JYUSZOYWUOWPOC-UHFFFAOYSA-N 0 3 337.423 3.192 20 10 EGCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)c1 ZINC000291195724 456562151 /nfs/dbraw/zinc/56/21/51/456562151.db2.gz HBFFZTAYYQCGQE-OAQYLSRUSA-N 0 3 341.451 3.218 20 10 EGCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)c1 ZINC000291195724 456562155 /nfs/dbraw/zinc/56/21/55/456562155.db2.gz HBFFZTAYYQCGQE-OAQYLSRUSA-N 0 3 341.451 3.218 20 10 EGCDHN Cc1c2ccccc2n(C)c1CNCc1ccc(S(C)(=O)=O)cc1 ZINC000392257347 457457126 /nfs/dbraw/zinc/45/71/26/457457126.db2.gz ZVMDGKMNZRVJDP-UHFFFAOYSA-N 0 3 342.464 3.180 20 10 EGCDHN CCOc1cccc(CN2CCCN(c3ncccc3F)CC2)c1O ZINC000369037070 458072116 /nfs/dbraw/zinc/07/21/16/458072116.db2.gz VJFXKFTVWFSEJR-UHFFFAOYSA-N 0 3 345.418 3.037 20 10 EGCDHN CCOc1ccc(C[NH2+]C[C@@H](OC)c2cccc(OC)c2)c([O-])c1 ZINC000527734409 459718527 /nfs/dbraw/zinc/71/85/27/459718527.db2.gz GZKISFOFZCSWPP-LJQANCHMSA-N 0 3 331.412 3.277 20 10 EGCDHN CC[C@H](C)[C@@](C)(O)CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000732821010 575289845 /nfs/dbraw/zinc/28/98/45/575289845.db2.gz SSTCBTQUMHJALY-KXBFYZLASA-N 0 3 349.475 3.472 20 10 EGCDHN CC(C)(C)C[C@H](O)CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000735324633 575644125 /nfs/dbraw/zinc/64/41/25/575644125.db2.gz XAUJVGLUVHMGHN-INIZCTEOSA-N 0 3 349.475 3.472 20 10 EGCDHN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000741722789 576713607 /nfs/dbraw/zinc/71/36/07/576713607.db2.gz RVXFWQMPNLJNEP-HUUCEWRRSA-N 0 3 331.485 3.368 20 10 EGCDHN [O-]c1cc(Br)ccc1CN1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000691498368 1298134372 /nfs/dbraw/zinc/13/43/72/1298134372.db2.gz SRGRSXMCYRIPFT-GJZGRUSLSA-N 0 3 339.277 3.261 20 10 EGCDHN CCN1C[C@H]([NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])CC1=O ZINC000834892009 1293165222 /nfs/dbraw/zinc/16/52/22/1293165222.db2.gz UCOMLCMZVGSVPT-IEBWSBKVSA-N 0 3 338.451 3.277 20 10 EGCDHN CCN1C[C@@H]([NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])CC1=O ZINC000834892012 1293165440 /nfs/dbraw/zinc/16/54/40/1293165440.db2.gz UCOMLCMZVGSVPT-PKOBYXMFSA-N 0 3 338.451 3.277 20 10 EGCDHN CC[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCO1)c1ccccc1[O-] ZINC000121096957 1293355896 /nfs/dbraw/zinc/35/58/96/1293355896.db2.gz FIDVBIPYPZMECN-AZUAARDMSA-N 0 3 340.467 3.334 20 10 EGCDHN CC[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1)c1ccccc1[O-] ZINC000121096640 1293355957 /nfs/dbraw/zinc/35/59/57/1293355957.db2.gz FIDVBIPYPZMECN-UYAOXDASSA-N 0 3 340.467 3.334 20 10 EGCDHN COc1ccccc1N1CCN(Cc2cc(C)cc(C)c2O)CC1 ZINC000125100113 1293495951 /nfs/dbraw/zinc/49/59/51/1293495951.db2.gz HSMWLSQOCHDRPC-UHFFFAOYSA-N 0 3 326.440 3.340 20 10 EGCDHN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000151172010 1293911431 /nfs/dbraw/zinc/91/14/31/1293911431.db2.gz LWGVGFGCIUYTLI-OAHLLOKOSA-N 0 3 331.485 3.322 20 10 EGCDHN Cc1c([C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)cnn1C ZINC000177958819 1294706597 /nfs/dbraw/zinc/70/65/97/1294706597.db2.gz HFWWRAMNHBGJPS-ZIAGYGMSSA-N 0 3 346.450 3.116 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2cccc(SC)c2)c1 ZINC000182313203 1295034371 /nfs/dbraw/zinc/03/43/71/1295034371.db2.gz GIIMZTDEUMBTGO-LBPRGKRZSA-N 0 3 346.452 3.412 20 10 EGCDHN COc1ccc(O)c([C@@H](C)Nc2ccc(N3CCN(C)CC3)cc2)c1 ZINC000186401354 1295323994 /nfs/dbraw/zinc/32/39/94/1295323994.db2.gz HGCDAGPXGAKDOP-OAHLLOKOSA-N 0 3 341.455 3.326 20 10 EGCDHN C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])CC[C@@H]1O ZINC000190045708 1295558666 /nfs/dbraw/zinc/55/86/66/1295558666.db2.gz QYQATGIICBHXJU-BEFAXECRSA-N 0 3 327.424 3.174 20 10 EGCDHN C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])CC[C@@H]1O ZINC000190045708 1295558676 /nfs/dbraw/zinc/55/86/76/1295558676.db2.gz QYQATGIICBHXJU-BEFAXECRSA-N 0 3 327.424 3.174 20 10 EGCDHN CCN1CCN(c2cccc(NCc3cccc(C)c3O)c2)CC1 ZINC000191884973 1295719667 /nfs/dbraw/zinc/71/96/67/1295719667.db2.gz JFLFBHWBOOTHPT-UHFFFAOYSA-N 0 3 325.456 3.455 20 10 EGCDHN COc1cc(Br)cc(C[NH2+]CCCOC(C)(C)C)c1[O-] ZINC000850370477 1322235370 /nfs/dbraw/zinc/23/53/70/1322235370.db2.gz PEDNEZGVGCHPLT-UHFFFAOYSA-N 0 3 346.265 3.458 20 10 EGCDHN CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000382433103 1297558951 /nfs/dbraw/zinc/55/89/51/1297558951.db2.gz SLAKERBTMZYISY-DOMZBBRYSA-N 0 3 338.423 3.314 20 10 EGCDHN CN(C(=O)Nc1ccc(N)cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388880397 1297605813 /nfs/dbraw/zinc/60/58/13/1297605813.db2.gz QTFWHTMSTJMIEG-IBGZPJMESA-N 0 3 338.455 3.397 20 10 EGCDHN Cc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c([O-])c1 ZINC000876559415 1298827975 /nfs/dbraw/zinc/82/79/75/1298827975.db2.gz ZXHZWEZCDLDEPR-QGZVFWFLSA-N 0 3 340.471 3.398 20 10 EGCDHN Cc1ccc(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c([O-])c1 ZINC000876559415 1298827988 /nfs/dbraw/zinc/82/79/88/1298827988.db2.gz ZXHZWEZCDLDEPR-QGZVFWFLSA-N 0 3 340.471 3.398 20 10 EGCDHN Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3c(C)cccc3[O-])C2)nc1 ZINC000876598618 1298858262 /nfs/dbraw/zinc/85/82/62/1298858262.db2.gz ZIGDCNDEMZPGEH-INIZCTEOSA-N 0 3 339.439 3.255 20 10 EGCDHN Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3c(C)cccc3[O-])C2)nc1 ZINC000876598618 1298858277 /nfs/dbraw/zinc/85/82/77/1298858277.db2.gz ZIGDCNDEMZPGEH-INIZCTEOSA-N 0 3 339.439 3.255 20 10 EGCDHN Cc1ccc(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c([O-])c1 ZINC000876614385 1298869749 /nfs/dbraw/zinc/86/97/49/1298869749.db2.gz LOWKIEYCBIERBZ-MRXNPFEDSA-N 0 3 330.472 3.171 20 10 EGCDHN C[NH+](C)CCN(CCCc1ccccc1)C(=O)c1cc([O-])cs1 ZINC000748321485 1298984321 /nfs/dbraw/zinc/98/43/21/1298984321.db2.gz WRSZQLLABBGXDT-UHFFFAOYSA-N 0 3 332.469 3.090 20 10 EGCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000877503149 1299351646 /nfs/dbraw/zinc/35/16/46/1299351646.db2.gz CLSISZLXQHRBMU-SFHVURJKSA-N 0 3 338.451 3.024 20 10 EGCDHN Cc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCCNC3=O)cc2)c([O-])c1 ZINC000877543226 1299383991 /nfs/dbraw/zinc/38/39/91/1299383991.db2.gz AGMIVPSEEUMDDK-HNNXBMFYSA-N 0 3 339.439 3.471 20 10 EGCDHN COc1ccc(N2CCN(Cc3cccc4c3CCOC4)CC2)cc1 ZINC000877911919 1299636678 /nfs/dbraw/zinc/63/66/78/1299636678.db2.gz UKUANSJNYNSNDN-UHFFFAOYSA-N 0 3 338.451 3.090 20 10 EGCDHN C[C@@H](Cc1cnccn1)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000753553610 1299972245 /nfs/dbraw/zinc/97/22/45/1299972245.db2.gz YOOLBELOIRKSAG-INIZCTEOSA-N 0 3 349.434 3.482 20 10 EGCDHN C[C@@H]1CCN(CC[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000753572794 1299976782 /nfs/dbraw/zinc/97/67/82/1299976782.db2.gz YLKQIMKOXVLQLF-QGZVFWFLSA-N 0 3 340.467 3.403 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+]Cc2cccnc2-n2cccn2)c2c1c(F)ccc2[O-] ZINC000756393311 1300483498 /nfs/dbraw/zinc/48/34/98/1300483498.db2.gz NDKVOLBUOJZJDN-IUODEOHRSA-N 0 3 338.386 3.450 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccc(F)cc2)c2c1c(F)ccc2[O-] ZINC000756453725 1300495011 /nfs/dbraw/zinc/49/50/11/1300495011.db2.gz HXVGWYLWCPITDU-AXAPSJFSSA-N 0 3 349.377 3.248 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CC(=O)N(c3ccccc3)C2)c2c1c(F)ccc2[O-] ZINC000756474262 1300500001 /nfs/dbraw/zinc/50/00/01/1300500001.db2.gz HWXQSHKKVWAZFS-WWGRRREGSA-N 0 3 340.398 3.475 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccn2)c2c1c(F)ccc2[O-] ZINC000756477354 1300500695 /nfs/dbraw/zinc/50/06/95/1300500695.db2.gz AHRYLMOYGSNTNG-YPMHNXCESA-N 0 3 329.375 3.093 20 10 EGCDHN COc1ccc(O)c([C@@H](C)NCc2cnn(CC(F)(F)F)c2)c1 ZINC000756658469 1300542604 /nfs/dbraw/zinc/54/26/04/1300542604.db2.gz JTEREZXCSSDXNE-SNVBAGLBSA-N 0 3 329.322 3.010 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)c2c1c(F)ccc2[O-] ZINC000756657703 1300542710 /nfs/dbraw/zinc/54/27/10/1300542710.db2.gz FNCLJGPCXQXDHH-SIXLDLHFSA-N 0 3 348.462 3.313 20 10 EGCDHN Cc1ccoc1C(=O)NCCC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756737231 1300556441 /nfs/dbraw/zinc/55/64/41/1300556441.db2.gz LKIGJOJDJAYZQE-OCCSQVGLSA-N 0 3 346.402 3.391 20 10 EGCDHN C[C@H]([NH2+]CC1=CCN(C)CC1)c1cc(Br)cc(F)c1[O-] ZINC000756791744 1300567147 /nfs/dbraw/zinc/56/71/47/1300567147.db2.gz UXMDUDMZSUBSRO-JTQLQIEISA-N 0 3 343.240 3.206 20 10 EGCDHN CCCOc1cccc(CNC(=O)C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000879648442 1300647870 /nfs/dbraw/zinc/64/78/70/1300647870.db2.gz PFYAODMXWFLTBX-OAHLLOKOSA-N 0 3 342.439 3.148 20 10 EGCDHN CN(Cc1ccc(F)c(Cl)c1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000762123227 1301617559 /nfs/dbraw/zinc/61/75/59/1301617559.db2.gz XALNHKQQQODYFC-MRXNPFEDSA-N 0 3 337.778 3.243 20 10 EGCDHN C[N@H+](Cc1ccc(F)c(Cl)c1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000762123227 1301617567 /nfs/dbraw/zinc/61/75/67/1301617567.db2.gz XALNHKQQQODYFC-MRXNPFEDSA-N 0 3 337.778 3.243 20 10 EGCDHN C[N@@H+](Cc1ccc(F)c(Cl)c1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000762123227 1301617576 /nfs/dbraw/zinc/61/75/76/1301617576.db2.gz XALNHKQQQODYFC-MRXNPFEDSA-N 0 3 337.778 3.243 20 10 EGCDHN CCOc1ccc(CN[C@@H](C[S@@](C)=O)c2ccccc2)c(O)c1 ZINC000765639712 1302294003 /nfs/dbraw/zinc/29/40/03/1302294003.db2.gz VKAHPGDXNFOXDK-GAJHUEQPSA-N 0 3 333.453 3.000 20 10 EGCDHN CN1CCN(c2ccc(CN[C@H]3CCCc4scnc43)cc2)CC1 ZINC000883290762 1302369511 /nfs/dbraw/zinc/36/95/11/1302369511.db2.gz GCXRUWGXKOOBSE-KRWDZBQOSA-N 0 3 342.512 3.062 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+](CCc1ccccc1)C1CC1)[C@@H](O)CO2 ZINC000768438946 1302900888 /nfs/dbraw/zinc/90/08/88/1302900888.db2.gz BXDWSZYNTAXURX-IBGZPJMESA-N 0 3 325.408 3.025 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+](CCc1ccccc1)C1CC1)[C@@H](O)CO2 ZINC000768438946 1302900894 /nfs/dbraw/zinc/90/08/94/1302900894.db2.gz BXDWSZYNTAXURX-IBGZPJMESA-N 0 3 325.408 3.025 20 10 EGCDHN [O-]c1cc2c(cc1C[NH+]1CCC(Cc3ccccc3)CC1)[C@@H](O)CO2 ZINC000768438028 1302901310 /nfs/dbraw/zinc/90/13/10/1302901310.db2.gz OKPOMIZLKUHORN-FQEVSTJZSA-N 0 3 339.435 3.273 20 10 EGCDHN CC(C)[N@H+](Cc1cccc(F)c1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768442167 1302902790 /nfs/dbraw/zinc/90/27/90/1302902790.db2.gz JYRKBISYMMMBME-SFHVURJKSA-N 0 3 331.387 3.368 20 10 EGCDHN CC(C)[N@@H+](Cc1cccc(F)c1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768442167 1302902800 /nfs/dbraw/zinc/90/28/00/1302902800.db2.gz JYRKBISYMMMBME-SFHVURJKSA-N 0 3 331.387 3.368 20 10 EGCDHN Cc1ccc([C@@H]2CCC[N@@H+]2Cc2cc3c(cc2[O-])OC[C@@H]3O)cc1 ZINC000768441491 1302904386 /nfs/dbraw/zinc/90/43/86/1302904386.db2.gz MGYAPCGXTWNRTH-HKUYNNGSSA-N 0 3 325.408 3.464 20 10 EGCDHN Cc1ccc([C@@H]2CCC[N@H+]2Cc2cc3c(cc2[O-])OC[C@@H]3O)cc1 ZINC000768441491 1302904397 /nfs/dbraw/zinc/90/43/97/1302904397.db2.gz MGYAPCGXTWNRTH-HKUYNNGSSA-N 0 3 325.408 3.464 20 10 EGCDHN COCCCN(Cc1ccncc1)Cc1cc(OC)c(C)cc1O ZINC000768452726 1302909553 /nfs/dbraw/zinc/90/95/53/1302909553.db2.gz RUNMXLZJXTXNDN-UHFFFAOYSA-N 0 3 330.428 3.143 20 10 EGCDHN [O-]c1cc2c(cc1C[NH+]1CCC(c3cccc(F)c3)CC1)[C@H](O)CO2 ZINC000768463679 1302912017 /nfs/dbraw/zinc/91/20/17/1302912017.db2.gz LEFBZLDPWFEEHQ-LJQANCHMSA-N 0 3 343.398 3.337 20 10 EGCDHN C[N@H+](Cc1cc2ccccc2o1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768465737 1302912517 /nfs/dbraw/zinc/91/25/17/1302912517.db2.gz JRWZENFVDZOYDT-KRWDZBQOSA-N 0 3 325.364 3.196 20 10 EGCDHN C[N@@H+](Cc1cc2ccccc2o1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768465737 1302912524 /nfs/dbraw/zinc/91/25/24/1302912524.db2.gz JRWZENFVDZOYDT-KRWDZBQOSA-N 0 3 325.364 3.196 20 10 EGCDHN C[N@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCO2)Cc1ccccc1[O-] ZINC000768874007 1303002978 /nfs/dbraw/zinc/00/29/78/1303002978.db2.gz XQUSXHSOMJFYFJ-UHFFFAOYSA-N 0 3 337.379 3.143 20 10 EGCDHN C[N@@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCO2)Cc1ccccc1[O-] ZINC000768874007 1303002981 /nfs/dbraw/zinc/00/29/81/1303002981.db2.gz XQUSXHSOMJFYFJ-UHFFFAOYSA-N 0 3 337.379 3.143 20 10 EGCDHN COCCc1nc(C)c([C@H](C)NCc2ccc3c(c2)CCO3)s1 ZINC000771382063 1303396776 /nfs/dbraw/zinc/39/67/76/1303396776.db2.gz IKZVLZYEUMUGPG-LBPRGKRZSA-N 0 3 332.469 3.426 20 10 EGCDHN C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1)c1c([O-])cccc1F ZINC000886578259 1303509453 /nfs/dbraw/zinc/50/94/53/1303509453.db2.gz PPYHLLKACYZXDW-HIFRSBDPSA-N 0 3 344.434 3.240 20 10 EGCDHN CCN(C)c1ccc(CN2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000773887932 1303751842 /nfs/dbraw/zinc/75/18/42/1303751842.db2.gz JTMYTCHWJSAXCN-GOEBONIOSA-N 0 3 330.394 3.278 20 10 EGCDHN COc1ccc(O)c([C@H](C)N[C@H](C)C(=O)Nc2ccccc2OC)c1 ZINC000775376024 1303949121 /nfs/dbraw/zinc/94/91/21/1303949121.db2.gz RCWGWXYXPKWNEV-QWHCGFSZSA-N 0 3 344.411 3.087 20 10 EGCDHN C[C@H](NCC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000775838383 1304047696 /nfs/dbraw/zinc/04/76/96/1304047696.db2.gz XYGQVIHZMFPLLQ-PASDCYSWSA-N 0 3 331.504 3.344 20 10 EGCDHN C[C@H](NCC(=O)N1c2ccccc2C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000775837034 1304047979 /nfs/dbraw/zinc/04/79/79/1304047979.db2.gz QPPDZADUUCUWHT-CVEARBPZSA-N 0 3 337.467 3.381 20 10 EGCDHN CCCCn1cc(CNCc2cc(OC)c(OC)cc2O)c(C)n1 ZINC000776256921 1304122488 /nfs/dbraw/zinc/12/24/88/1304122488.db2.gz SPELEGVNFAVEEV-UHFFFAOYSA-N 0 3 333.432 3.004 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CC[C@H](O)CC2)c1[O-] ZINC000779040579 1304521525 /nfs/dbraw/zinc/52/15/25/1304521525.db2.gz YVTCCGZQRBMHGH-DRZSPHRISA-N 0 3 328.250 3.417 20 10 EGCDHN CC(=O)N1CC[C@H](NCc2ccc3c(c2)CCO3)c2ccccc2C1 ZINC000779047137 1304523180 /nfs/dbraw/zinc/52/31/80/1304523180.db2.gz WBXDEPIUSRHZJW-FQEVSTJZSA-N 0 3 336.435 3.205 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2C[C@H](O)C2(C)C)c1[O-] ZINC000779063230 1304524625 /nfs/dbraw/zinc/52/46/25/1304524625.db2.gz CWJKRJDDIAFHGN-BIMULSAOSA-N 0 3 328.250 3.273 20 10 EGCDHN CCOc1ccc(O)c(CN(C)CCN(C)C(=O)OC(C)(C)C)c1 ZINC000779597307 1304585376 /nfs/dbraw/zinc/58/53/76/1304585376.db2.gz RARHQGFIABTQIE-UHFFFAOYSA-N 0 3 338.448 3.090 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1)[C@H](O)CO2 ZINC000779890383 1304619855 /nfs/dbraw/zinc/61/98/55/1304619855.db2.gz VZUMGZUGXKDMPT-DBHZWCICSA-N 0 3 337.419 3.496 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1/C=C/c1ccccc1)[C@H](O)CO2 ZINC000779890383 1304619858 /nfs/dbraw/zinc/61/98/58/1304619858.db2.gz VZUMGZUGXKDMPT-DBHZWCICSA-N 0 3 337.419 3.496 20 10 EGCDHN CCCc1[nH]ccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891250718 1305000558 /nfs/dbraw/zinc/00/05/58/1305000558.db2.gz ZHMHIRKBDGOGLF-LJQANCHMSA-N 0 3 342.487 3.066 20 10 EGCDHN C[C@H]([NH2+][C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1)c1ccccc1[O-] ZINC000783513239 1305100976 /nfs/dbraw/zinc/10/09/76/1305100976.db2.gz JSELGCAXXXBILT-FIKGOQFSSA-N 0 3 340.467 3.332 20 10 EGCDHN C[C@@H]([NH2+][C@@H]1CCN(CCCc2ccccc2)C1=O)c1ccccc1[O-] ZINC000783517710 1305101738 /nfs/dbraw/zinc/10/17/38/1305101738.db2.gz IAAOHMFHHCENIP-VQIMIIECSA-N 0 3 338.451 3.277 20 10 EGCDHN COc1ccc(N2CCCN(Cc3cn(C)nc3C3CC3)CC2)cc1 ZINC000891775310 1305162051 /nfs/dbraw/zinc/16/20/51/1305162051.db2.gz LULFKAVLYHKEMA-UHFFFAOYSA-N 0 3 340.471 3.018 20 10 EGCDHN COc1cc(CN2CCN(c3ccc(C)cc3)CC2)c(O)cc1C ZINC000784014579 1305176682 /nfs/dbraw/zinc/17/66/82/1305176682.db2.gz MNJQEYLQARMUPM-UHFFFAOYSA-N 0 3 326.440 3.340 20 10 EGCDHN COc1ccc(CN[C@@H](C)c2ccc(N3CCNC3=O)cc2)cc1C ZINC000786820293 1305635254 /nfs/dbraw/zinc/63/52/54/1305635254.db2.gz DMVQPKXTSVGERU-HNNXBMFYSA-N 0 3 339.439 3.384 20 10 EGCDHN COc1ccc2c(c1)OCC[C@H]2NCc1ccc(OC)c(OC)c1O ZINC000893069875 1305689895 /nfs/dbraw/zinc/68/98/95/1305689895.db2.gz SNRYLINJPRXFJE-OAHLLOKOSA-N 0 3 345.395 3.031 20 10 EGCDHN CCOC(CC[NH2+]Cc1cc(Br)cc(C)c1[O-])OCC ZINC000787432537 1305745418 /nfs/dbraw/zinc/74/54/18/1305745418.db2.gz IRMKJVVQXINFNG-UHFFFAOYSA-N 0 3 346.265 3.342 20 10 EGCDHN CC(=O)Nc1ccc(C[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)cn1 ZINC000788604528 1305980471 /nfs/dbraw/zinc/98/04/71/1305980471.db2.gz CERGMGYCFWGTNI-QMTHXVAHSA-N 0 3 329.375 3.223 20 10 EGCDHN CCN1CCN(c2cccc(NCc3c(O)cccc3OC)c2)CC1 ZINC000789551768 1306183990 /nfs/dbraw/zinc/18/39/90/1306183990.db2.gz OBPUGDGUWGHFDU-UHFFFAOYSA-N 0 3 341.455 3.155 20 10 EGCDHN CN(C)c1ccc(CN(C)C(=O)NC[C@H]2N(C)CCCC2(C)C)cc1 ZINC000790544674 1306349213 /nfs/dbraw/zinc/34/92/13/1306349213.db2.gz YGVPUCWZZXKGGL-GOSISDBHSA-N 0 3 346.519 3.014 20 10 EGCDHN CC[N@H+](CCC1CCN(C(=O)c2cccc(O)c2[O-])CC1)CC1CC1 ZINC000790911611 1308885441 /nfs/dbraw/zinc/88/54/41/1308885441.db2.gz ILZPGYVAGMDKNW-UHFFFAOYSA-N 0 3 346.471 3.072 20 10 EGCDHN CC[N@@H+](CCC1CCN(C(=O)c2cccc(O)c2[O-])CC1)CC1CC1 ZINC000790911611 1308885444 /nfs/dbraw/zinc/88/54/44/1308885444.db2.gz ILZPGYVAGMDKNW-UHFFFAOYSA-N 0 3 346.471 3.072 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2N(C)CCCC2(C)C)c1[O-] ZINC000790928082 1308889887 /nfs/dbraw/zinc/88/98/87/1308889887.db2.gz QOKDGJDFAKPPJB-OAHLLOKOSA-N 0 3 326.868 3.264 20 10 EGCDHN CCN(CC)c1ccc(CN2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)cc1 ZINC000790930579 1308889949 /nfs/dbraw/zinc/88/99/49/1308889949.db2.gz ALBKWGYWVGZTGN-ZWOKBUDYSA-N 0 3 332.488 3.301 20 10 EGCDHN COc1ccc(N2CC[C@H](C[NH2+]Cc3ccc([O-])c(F)c3)C2)cc1 ZINC000895007224 1309155415 /nfs/dbraw/zinc/15/54/15/1309155415.db2.gz ZNCNTSPTEVKMOW-OAHLLOKOSA-N 0 3 330.403 3.156 20 10 EGCDHN COc1cccc([O-])c1C[NH+]1CCC(O)(Cc2cccc(C)c2)CC1 ZINC000793322027 1309346249 /nfs/dbraw/zinc/34/62/49/1309346249.db2.gz GWHVRLDOSHHFRT-UHFFFAOYSA-N 0 3 341.451 3.279 20 10 EGCDHN Cc1cc([C@H](C)NCc2ccc(N3CCSCC3)cc2)n(C)n1 ZINC000793520709 1309392467 /nfs/dbraw/zinc/39/24/67/1309392467.db2.gz HXOGJPJBKWHHQP-HNNXBMFYSA-N 0 3 330.501 3.133 20 10 EGCDHN CCOc1ccc(C[NH2+][C@H](C)CCNC(=O)OC(C)(C)C)c([O-])c1 ZINC000793602042 1309414512 /nfs/dbraw/zinc/41/45/12/1309414512.db2.gz RYRDGOAEUXSMAA-CYBMUJFWSA-N 0 3 338.448 3.184 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCc2cccc(Br)n2)c1 ZINC000794460622 1309531133 /nfs/dbraw/zinc/53/11/33/1309531133.db2.gz GGHVUNHGAFENKR-JTQLQIEISA-N 0 3 337.217 3.409 20 10 EGCDHN CC[C@@H]([NH2+]C1CCN(C[C@H]2CCCO2)CC1)c1ccc(C)cc1[O-] ZINC000794811309 1309599859 /nfs/dbraw/zinc/59/98/59/1309599859.db2.gz WTRRIIFALZVDNS-IEBWSBKVSA-N 0 3 332.488 3.385 20 10 EGCDHN CCOCc1cc(CNCc2c(C)nc3ccccn32)ccc1OC ZINC000898275775 1310657977 /nfs/dbraw/zinc/65/79/77/1310657977.db2.gz CKJHHKZFENLGCV-UHFFFAOYSA-N 0 3 339.439 3.478 20 10 EGCDHN COc1cc(Br)cc(C[NH2+]Cc2cnccc2C)c1[O-] ZINC000824909155 1320294833 /nfs/dbraw/zinc/29/48/33/1320294833.db2.gz KAVLNMMRJQCTIL-UHFFFAOYSA-N 0 3 337.217 3.157 20 10 EGCDHN CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc([O-])cs1 ZINC000802644902 1317020790 /nfs/dbraw/zinc/02/07/90/1317020790.db2.gz OXNUJMGDHQPYLA-QGZVFWFLSA-N 0 3 344.480 3.484 20 10 EGCDHN CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc([O-])cs1 ZINC000802644902 1317020799 /nfs/dbraw/zinc/02/07/99/1317020799.db2.gz OXNUJMGDHQPYLA-QGZVFWFLSA-N 0 3 344.480 3.484 20 10 EGCDHN CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)C1=CC(=O)CS1 ZINC000802644902 1317020808 /nfs/dbraw/zinc/02/08/08/1317020808.db2.gz OXNUJMGDHQPYLA-QGZVFWFLSA-N 0 3 344.480 3.484 20 10 EGCDHN CN(C)c1cc(F)c(CNC[C@@H](c2cccs2)N(C)C)cc1F ZINC000858087089 1328678650 /nfs/dbraw/zinc/67/86/50/1328678650.db2.gz JGHVOGZWOOTSGT-INIZCTEOSA-N 0 3 339.455 3.485 20 10 EGCDHN C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2cccc(Br)c2[O-])C1 ZINC000809767940 1317895694 /nfs/dbraw/zinc/89/56/94/1317895694.db2.gz YMERPCAUQJPQOP-WFASDCNBSA-N 0 3 339.277 3.071 20 10 EGCDHN C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2cccc(Br)c2[O-])C1 ZINC000809767940 1317895700 /nfs/dbraw/zinc/89/57/00/1317895700.db2.gz YMERPCAUQJPQOP-WFASDCNBSA-N 0 3 339.277 3.071 20 10 EGCDHN Cc1cccc([C@H](O)C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c1 ZINC000929970404 1328752648 /nfs/dbraw/zinc/75/26/48/1328752648.db2.gz JZXSYKCPSUHQRR-TZIWHRDSSA-N 0 3 341.451 3.415 20 10 EGCDHN Cc1cccc([C@H](O)C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c1 ZINC000929970404 1328752652 /nfs/dbraw/zinc/75/26/52/1328752652.db2.gz JZXSYKCPSUHQRR-TZIWHRDSSA-N 0 3 341.451 3.415 20 10 EGCDHN CCC(C)(C)N(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000908460232 1318347938 /nfs/dbraw/zinc/34/79/38/1318347938.db2.gz PVUFGNMRRMDTMK-KRWDZBQOSA-N 0 3 334.508 3.185 20 10 EGCDHN CCN(CC)c1ccc(CNCc2cc(C(=O)OC)c(C)n2C)cc1 ZINC000812747128 1318449866 /nfs/dbraw/zinc/44/98/66/1318449866.db2.gz PGIQJLQRDSBZLN-UHFFFAOYSA-N 0 3 343.471 3.256 20 10 EGCDHN C[C@@H]1CN(CCC[NH2+]Cc2ccc3ccccc3c2[O-])CCCO1 ZINC000816592585 1319189316 /nfs/dbraw/zinc/18/93/16/1319189316.db2.gz OBLRDDHYRQDEMZ-MRXNPFEDSA-N 0 3 328.456 3.136 20 10 EGCDHN C[C@@H]([NH2+]C[C@@H]1CCCCN1)c1cc(Br)c(F)cc1[O-] ZINC000817949843 1319473569 /nfs/dbraw/zinc/47/35/69/1319473569.db2.gz NZORIFPIRSFFLM-ZJUUUORDSA-N 0 3 331.229 3.087 20 10 EGCDHN C[C@@H](NC[C@@H]1CCCC[NH2+]1)c1cc(Br)c(F)cc1[O-] ZINC000817949843 1319473573 /nfs/dbraw/zinc/47/35/73/1319473573.db2.gz NZORIFPIRSFFLM-ZJUUUORDSA-N 0 3 331.229 3.087 20 10 EGCDHN CCN[C@H](C)C[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000817973314 1319482664 /nfs/dbraw/zinc/48/26/64/1319482664.db2.gz TYINOIDYHDFOKQ-RKDXNWHRSA-N 0 3 335.673 3.457 20 10 EGCDHN C[C@H]([NH2+][C@@H](CN)C1CCCC1)c1ccc(Br)cc1[O-] ZINC000817981641 1319485210 /nfs/dbraw/zinc/48/52/10/1319485210.db2.gz MFBCAQAFTXKOCQ-HZMBPMFUSA-N 0 3 327.266 3.323 20 10 EGCDHN Cc1cc(O)c(CN2CCCN(C(=O)OC(C)(C)C)CC2)cc1C ZINC000917488454 1319821360 /nfs/dbraw/zinc/82/13/60/1319821360.db2.gz QVFRXVPVUKVXHS-UHFFFAOYSA-N 0 3 334.460 3.452 20 10 EGCDHN COc1cc(C)ccc1CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000823391169 1320174636 /nfs/dbraw/zinc/17/46/36/1320174636.db2.gz SFHFIMQPNYQMFH-UHFFFAOYSA-N 0 3 340.467 3.472 20 10 EGCDHN C[C@H]1CN(Cc2cc(Br)ccc2[O-])CC[N@@H+](C2CC2)C1 ZINC000824445660 1320259128 /nfs/dbraw/zinc/25/91/28/1320259128.db2.gz JOQVNPKIKGXACV-LBPRGKRZSA-N 0 3 339.277 3.071 20 10 EGCDHN C[C@H]1CN(Cc2cc(Br)ccc2[O-])CC[N@H+](C2CC2)C1 ZINC000824445660 1320259133 /nfs/dbraw/zinc/25/91/33/1320259133.db2.gz JOQVNPKIKGXACV-LBPRGKRZSA-N 0 3 339.277 3.071 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)c1[O-] ZINC000824954030 1320299562 /nfs/dbraw/zinc/29/95/62/1320299562.db2.gz NZLNJMODZOKTBL-HZPDHXFCSA-N 0 3 348.830 3.459 20 10 EGCDHN COc1cccc(O)c1CN(C)CC(C)(C)NC(=O)OC(C)(C)C ZINC000826808601 1320405984 /nfs/dbraw/zinc/40/59/84/1320405984.db2.gz CWWPDPILNFVZOW-UHFFFAOYSA-N 0 3 338.448 3.136 20 10 EGCDHN COc1cccc([O-])c1C[N@H+](C)CC(C)(C)NC(=O)OC(C)(C)C ZINC000826808601 1320405987 /nfs/dbraw/zinc/40/59/87/1320405987.db2.gz CWWPDPILNFVZOW-UHFFFAOYSA-N 0 3 338.448 3.136 20 10 EGCDHN COc1cccc([O-])c1C[N@@H+](C)CC(C)(C)NC(=O)OC(C)(C)C ZINC000826808601 1320405989 /nfs/dbraw/zinc/40/59/89/1320405989.db2.gz CWWPDPILNFVZOW-UHFFFAOYSA-N 0 3 338.448 3.136 20 10 EGCDHN CN(Cc1cc2cnccc2o1)Cc1ccc(N2CCOCC2)cc1 ZINC000845903391 1321752975 /nfs/dbraw/zinc/75/29/75/1321752975.db2.gz ZKSXTCVXLZBIGY-UHFFFAOYSA-N 0 3 337.423 3.296 20 10 EGCDHN C[C@@H](O)C[N@H+](Cc1ccc(OCc2ccccc2)cc1[O-])C1CC1 ZINC000848928660 1322048365 /nfs/dbraw/zinc/04/83/65/1322048365.db2.gz JUVRWHDMWPRRFJ-OAHLLOKOSA-N 0 3 327.424 3.316 20 10 EGCDHN C[C@@H](O)C[N@@H+](Cc1ccc(OCc2ccccc2)cc1[O-])C1CC1 ZINC000848928660 1322048371 /nfs/dbraw/zinc/04/83/71/1322048371.db2.gz JUVRWHDMWPRRFJ-OAHLLOKOSA-N 0 3 327.424 3.316 20 10 EGCDHN COc1ccc(O)c(CNCc2cc(F)ccc2OC(F)F)c1 ZINC000850137159 1322197528 /nfs/dbraw/zinc/19/75/28/1322197528.db2.gz KWSZUHGGYSUSBU-UHFFFAOYSA-N 0 3 327.302 3.431 20 10 EGCDHN COc1cccc([C@@H](C)NCc2cccnc2N2CCCC2)c1O ZINC000850500108 1322257502 /nfs/dbraw/zinc/25/75/02/1322257502.db2.gz CYNDDFSVGGXSBH-CQSZACIVSA-N 0 3 327.428 3.247 20 10 EGCDHN C[C@H]([NH2+]C[C@H](O)c1cc(F)c(F)c(F)c1)c1cc(F)ccc1[O-] ZINC000850580554 1322272670 /nfs/dbraw/zinc/27/26/70/1322272670.db2.gz OKVOGIDFUXVCCN-AYVTZFPOSA-N 0 3 329.293 3.333 20 10 EGCDHN COC(=O)[C@H](C)Oc1ccccc1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000922328960 1322502757 /nfs/dbraw/zinc/50/27/57/1322502757.db2.gz KHNQXJMVOJVRQC-KGLIPLIRSA-N 0 3 329.396 3.183 20 10 EGCDHN CC(C)(C)OC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ccccc1[O-])C2 ZINC000857069958 1325567913 /nfs/dbraw/zinc/56/79/13/1325567913.db2.gz XTTFFRPMGOIFLI-KXBFYZLASA-N 0 3 332.444 3.271 20 10 EGCDHN CC(C)(C)OC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ccccc1[O-])C2 ZINC000857069958 1325567916 /nfs/dbraw/zinc/56/79/16/1325567916.db2.gz XTTFFRPMGOIFLI-KXBFYZLASA-N 0 3 332.444 3.271 20 10 EGCDHN COc1cc(CN[C@@H](C)[C@H](O)C(F)(F)F)c(O)c(C(C)(C)C)c1 ZINC000865710396 1329731406 /nfs/dbraw/zinc/73/14/06/1329731406.db2.gz BMAIPJWSJXILRN-XPTSAGLGSA-N 0 3 335.366 3.100 20 10 EGCDHN CCOCc1cc(CN[C@@H](C(C)C)[C@H](O)C(F)(F)F)ccc1OC ZINC000865710974 1329731525 /nfs/dbraw/zinc/73/15/25/1329731525.db2.gz GPXITDJGZQZKTH-HOTGVXAUSA-N 0 3 349.393 3.269 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+]C[C@H](n2cncn2)C(F)(F)F)c2c1c(F)ccc2[O-] ZINC000866436695 1330112327 /nfs/dbraw/zinc/11/23/27/1330112327.db2.gz QRAQOBCXZPJYPV-QRTLGDNMSA-N 0 3 344.312 3.064 20 10 EGCDHN CC(C)=CCN1CC[C@@](C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001046862843 1347135472 /nfs/dbraw/zinc/13/54/72/1347135472.db2.gz QYWCQQPQBXZUIF-GOSISDBHSA-N 0 3 343.431 3.009 20 10 EGCDHN COc1ccc(Br)c(C[N@H+]2CC[C@@H](OC)C[C@H]2C)c1[O-] ZINC001231556154 1376264267 /nfs/dbraw/zinc/26/42/67/1376264267.db2.gz YIZDKZYHTFQOOB-GHMZBOCLSA-N 0 3 344.249 3.163 20 10 EGCDHN COc1ccc(Br)c(C[N@@H+]2CC[C@@H](OC)C[C@H]2C)c1[O-] ZINC001231556154 1376264280 /nfs/dbraw/zinc/26/42/80/1376264280.db2.gz YIZDKZYHTFQOOB-GHMZBOCLSA-N 0 3 344.249 3.163 20 10 EGCDHN O=C1N(CC2CC2)c2ccccc2[C@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001203556682 1370168290 /nfs/dbraw/zinc/16/82/90/1370168290.db2.gz TUCBDSIALIORIR-JOCHJYFZSA-N 0 3 348.446 3.293 20 10 EGCDHN O=C1N(CC2CC2)c2ccccc2[C@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001203556682 1370168292 /nfs/dbraw/zinc/16/82/92/1370168292.db2.gz TUCBDSIALIORIR-JOCHJYFZSA-N 0 3 348.446 3.293 20 10 EGCDHN O=C1Nc2c(cccc2F)C12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001203555840 1370168479 /nfs/dbraw/zinc/16/84/79/1370168479.db2.gz HHNGFGRZXQDQQU-UHFFFAOYSA-N 0 3 326.371 3.017 20 10 EGCDHN CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccccc1[O-])C2 ZINC001203558311 1370169117 /nfs/dbraw/zinc/16/91/17/1370169117.db2.gz CSHMUWDYFOTAHA-SCAQPMJSSA-N 0 3 332.444 3.127 20 10 EGCDHN CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccccc1[O-])C2 ZINC001203558311 1370169118 /nfs/dbraw/zinc/16/91/18/1370169118.db2.gz CSHMUWDYFOTAHA-SCAQPMJSSA-N 0 3 332.444 3.127 20 10 EGCDHN CCn1c2ccccc2nc1N1CCN(Cc2ccccc2O)CC1 ZINC001203561139 1370169950 /nfs/dbraw/zinc/16/99/50/1370169950.db2.gz MEQAQBNKJJUJEO-UHFFFAOYSA-N 0 3 336.439 3.084 20 10 EGCDHN CCn1c2ccccc2nc1N1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001203561139 1370169951 /nfs/dbraw/zinc/16/99/51/1370169951.db2.gz MEQAQBNKJJUJEO-UHFFFAOYSA-N 0 3 336.439 3.084 20 10 EGCDHN CCC[N@H+](Cc1cccc(OCC)c1[O-])C1CCN(C(C)=O)CC1 ZINC001203613892 1370188306 /nfs/dbraw/zinc/18/83/06/1370188306.db2.gz ISHSDYQKDFLATO-UHFFFAOYSA-N 0 3 334.460 3.014 20 10 EGCDHN CCC[N@@H+](Cc1cccc(OCC)c1[O-])C1CCN(C(C)=O)CC1 ZINC001203613892 1370188307 /nfs/dbraw/zinc/18/83/07/1370188307.db2.gz ISHSDYQKDFLATO-UHFFFAOYSA-N 0 3 334.460 3.014 20 10 EGCDHN COc1ccc(C[N@H+](C)[C@@H]2CCCN(Cc3ccccc3)C2)c([O-])c1 ZINC001203635351 1370196372 /nfs/dbraw/zinc/19/63/72/1370196372.db2.gz QMYKTIWXJVALKK-LJQANCHMSA-N 0 3 340.467 3.497 20 10 EGCDHN COc1ccc(C[N@@H+](C)[C@@H]2CCCN(Cc3ccccc3)C2)c([O-])c1 ZINC001203635351 1370196374 /nfs/dbraw/zinc/19/63/74/1370196374.db2.gz QMYKTIWXJVALKK-LJQANCHMSA-N 0 3 340.467 3.497 20 10 EGCDHN [O-]c1ccc(Cl)cc1CN1CC[C@@H]([NH+]2CCCCC2)[C@@H](F)C1 ZINC001203665853 1370208905 /nfs/dbraw/zinc/20/89/05/1370208905.db2.gz YFMZRDMHBWEBMA-JKSUJKDBSA-N 0 3 326.843 3.444 20 10 EGCDHN CCOc1cccc(N2CCN(Cc3cc(OC)ccc3O)CC2)c1 ZINC001203680308 1370216100 /nfs/dbraw/zinc/21/61/00/1370216100.db2.gz NYSMYEXGQLHVJP-UHFFFAOYSA-N 0 3 342.439 3.122 20 10 EGCDHN COc1cccc(OCC2CCN(Cc3ccc(O)c(O)c3)CC2)c1 ZINC001203880384 1370297307 /nfs/dbraw/zinc/29/73/07/1370297307.db2.gz PZLWOUPBUOBZCX-UHFFFAOYSA-N 0 3 343.423 3.397 20 10 EGCDHN COc1cccc(O[C@H]2CCCN(Cc3ccc(N(C)C)cc3)C2)n1 ZINC001203935825 1370322289 /nfs/dbraw/zinc/32/22/89/1370322289.db2.gz FCCJJBOSWSKBHE-SFHVURJKSA-N 0 3 341.455 3.200 20 10 EGCDHN CN(C)c1ccc(CN2CCN(c3ccncn3)CC2)c2ccccc21 ZINC001204240330 1370419095 /nfs/dbraw/zinc/41/90/95/1370419095.db2.gz OWPKBPMTNDQTFN-UHFFFAOYSA-N 0 3 347.466 3.018 20 10 EGCDHN O=C(OCc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204282751 1370430925 /nfs/dbraw/zinc/43/09/25/1370430925.db2.gz VIUUKQSYAKDAQG-QGZVFWFLSA-N 0 3 341.407 3.053 20 10 EGCDHN O=C(OCc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204282751 1370430926 /nfs/dbraw/zinc/43/09/26/1370430926.db2.gz VIUUKQSYAKDAQG-QGZVFWFLSA-N 0 3 341.407 3.053 20 10 EGCDHN OC[C@@]1(C(F)(F)F)CCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001119504722 1371356532 /nfs/dbraw/zinc/35/65/32/1371356532.db2.gz JXNXBXPKRONRPO-MRXNPFEDSA-N 0 3 328.378 3.034 20 10 EGCDHN O=C1OCCCN1C1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001120048208 1371468305 /nfs/dbraw/zinc/46/83/05/1371468305.db2.gz VWQIXHAIHUIUBC-UHFFFAOYSA-N 0 3 343.471 3.094 20 10 EGCDHN CC(=O)N(C)[C@@H]1CCN(Cc2ccc(-n3c(C)ccc3C)cc2)C1 ZINC001209520461 1372127762 /nfs/dbraw/zinc/12/77/62/1372127762.db2.gz XSNLIPOWCXLWQU-HXUWFJFHSA-N 0 3 325.456 3.147 20 10 EGCDHN COc1ccc(C[NH2+]Cc2sc(N3CCCCC3)nc2C)c([O-])c1 ZINC001326836259 1388326257 /nfs/dbraw/zinc/32/62/57/1388326257.db2.gz SSDYYKTXDQDHJQ-UHFFFAOYSA-N 0 3 347.484 3.446 20 10 EGCDHN COc1ccc(Br)c(CN2CC[C@@H](OC)C[C@H]2C)c1O ZINC001231556154 1376264261 /nfs/dbraw/zinc/26/42/61/1376264261.db2.gz YIZDKZYHTFQOOB-GHMZBOCLSA-N 0 3 344.249 3.163 20 10 EGCDHN CCOC[C@H]1CN(Cc2c(C)cc(C)cc2O)Cc2cnn(CC)c21 ZINC001231845279 1376325551 /nfs/dbraw/zinc/32/55/51/1376325551.db2.gz WWZXTUMLMWRGQE-QGZVFWFLSA-N 0 3 343.471 3.361 20 10 EGCDHN COc1ccc(N2CCN(Cc3cc4c[nH]ccc-4n3)CC2)c(C)c1 ZINC001232018282 1376385541 /nfs/dbraw/zinc/38/55/41/1376385541.db2.gz ILCCCCMUCRCLES-UHFFFAOYSA-N 0 3 336.439 3.202 20 10 EGCDHN COc1ccc(N2CCN(Cc3cc4cnccc4[nH]3)CC2)c(C)c1 ZINC001232018282 1376385548 /nfs/dbraw/zinc/38/55/48/1376385548.db2.gz ILCCCCMUCRCLES-UHFFFAOYSA-N 0 3 336.439 3.202 20 10 EGCDHN CN(Cc1ccc(N2CCOCC2)c(Cl)c1)C[C@@H]1CCCCO1 ZINC001232203529 1376417252 /nfs/dbraw/zinc/41/72/52/1376417252.db2.gz XSDLMMWKULVUHC-INIZCTEOSA-N 0 3 338.879 3.178 20 10 EGCDHN COC[C@H]1Cn2nccc2CN(Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233285823 1376604315 /nfs/dbraw/zinc/60/43/15/1376604315.db2.gz UTJUKOIZLGUYOP-OAHLLOKOSA-N 0 3 343.471 3.165 20 10 EGCDHN Oc1cc(O)c(CN2CCC(c3ccc(F)cc3F)CC2)cc1O ZINC001233487662 1376653405 /nfs/dbraw/zinc/65/34/05/1376653405.db2.gz NKFUGAOHDUHBDT-UHFFFAOYSA-N 0 3 335.350 3.461 20 10 EGCDHN COc1cc([O-])c(CN2CC[NH2+]C[C@H]2Cc2ccccc2)c(Cl)c1 ZINC001235857326 1376905313 /nfs/dbraw/zinc/90/53/13/1376905313.db2.gz VEAIYEDOMUQUHV-OAHLLOKOSA-N 0 3 346.858 3.071 20 10 EGCDHN CCCC[C@H]1CN(Cc2c([O-])cccc2Br)CC[NH2+]1 ZINC001236139645 1376935746 /nfs/dbraw/zinc/93/57/46/1376935746.db2.gz YXXICFIWRDMOBU-LBPRGKRZSA-N 0 3 327.266 3.119 20 10 EGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001237051260 1376971799 /nfs/dbraw/zinc/97/17/99/1376971799.db2.gz JCWADYCPEICHFB-CJNGLKHVSA-N 0 3 345.361 3.334 20 10 EGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001237051260 1376971810 /nfs/dbraw/zinc/97/18/10/1376971810.db2.gz JCWADYCPEICHFB-CJNGLKHVSA-N 0 3 345.361 3.334 20 10 EGCDHN Cc1cncnc1O[C@H]1CC[N@@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237051578 1376972130 /nfs/dbraw/zinc/97/21/30/1376972130.db2.gz OMSJPSKXEZZXCU-KRWDZBQOSA-N 0 3 327.428 3.267 20 10 EGCDHN Cc1cncnc1O[C@H]1CC[N@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237051578 1376972138 /nfs/dbraw/zinc/97/21/38/1376972138.db2.gz OMSJPSKXEZZXCU-KRWDZBQOSA-N 0 3 327.428 3.267 20 10 EGCDHN CO[C@@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])CC1 ZINC001237057873 1376973601 /nfs/dbraw/zinc/97/36/01/1376973601.db2.gz GDOCDBUHKVMVIQ-CYBMUJFWSA-N 0 3 333.350 3.334 20 10 EGCDHN CO[C@@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])CC1 ZINC001237057873 1376973605 /nfs/dbraw/zinc/97/36/05/1376973605.db2.gz GDOCDBUHKVMVIQ-CYBMUJFWSA-N 0 3 333.350 3.334 20 10 EGCDHN CCC[N@H+](CCCN(C)C)Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237061553 1376974735 /nfs/dbraw/zinc/97/47/35/1376974735.db2.gz INVLHKOYAMVCSV-UHFFFAOYSA-N 0 3 348.409 3.497 20 10 EGCDHN CCC[N@@H+](CCCN(C)C)Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237061553 1376974743 /nfs/dbraw/zinc/97/47/43/1376974743.db2.gz INVLHKOYAMVCSV-UHFFFAOYSA-N 0 3 348.409 3.497 20 10 EGCDHN Oc1cccc(F)c1CN1CCN(C/C=C/c2ccccc2)CC1 ZINC001137832052 1377624189 /nfs/dbraw/zinc/62/41/89/1377624189.db2.gz YUIRJXNLXBWLEU-VMPITWQZSA-N 0 3 326.415 3.362 20 10 EGCDHN CO[C@H](CN1CCN(Cc2c([O-])cccc2F)CC1)c1ccccc1 ZINC001137839634 1377628972 /nfs/dbraw/zinc/62/89/72/1377628972.db2.gz FYHZWUVMNGQBTK-HXUWFJFHSA-N 0 3 344.430 3.037 20 10 EGCDHN CO[C@H](CN1CCN(Cc2c(O)cccc2F)CC1)c1ccccc1 ZINC001137839634 1377628974 /nfs/dbraw/zinc/62/89/74/1377628974.db2.gz FYHZWUVMNGQBTK-HXUWFJFHSA-N 0 3 344.430 3.037 20 10 EGCDHN CCOC(=O)C1(F)CCN(Cc2c(C)n(C)c3ccccc32)CC1 ZINC001138256720 1377694860 /nfs/dbraw/zinc/69/48/60/1377694860.db2.gz HUDHCWVSEKICEP-UHFFFAOYSA-N 0 3 332.419 3.354 20 10 EGCDHN Cc1c(CN2CCN(CCc3ccncc3)CC2)c2ccccc2n1C ZINC001138257081 1377694932 /nfs/dbraw/zinc/69/49/32/1377694932.db2.gz VCMLBDHZLJSNRV-UHFFFAOYSA-N 0 3 348.494 3.242 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC(CC(=O)OC)CC2)c(OC)c1 ZINC001138386774 1377714146 /nfs/dbraw/zinc/71/41/46/1377714146.db2.gz WKWSRMHOUJVOKR-UHFFFAOYSA-N 0 3 348.487 3.317 20 10 EGCDHN Cc1cncnc1O[C@H]1CCCN(Cc2ccc(N(C)C)c(C)c2)C1 ZINC001139673863 1377931434 /nfs/dbraw/zinc/93/14/34/1377931434.db2.gz GPDQLPSZAQIGAZ-SFHVURJKSA-N 0 3 340.471 3.203 20 10 EGCDHN Cc1cc(CN2C[C@H]3[C@H](CN3C(=O)OC(C)(C)C)C2)ccc1N(C)C ZINC001139674378 1377931538 /nfs/dbraw/zinc/93/15/38/1377931538.db2.gz XCSALKCNXJEPOY-WMZOPIPTSA-N 0 3 345.487 3.112 20 10 EGCDHN Cc1ccnc(O[C@@H]2CCCN(Cc3ccc(N(C)C)c(C)c3)C2)n1 ZINC001139674037 1377931702 /nfs/dbraw/zinc/93/17/02/1377931702.db2.gz LMDOGFWDSRRNNG-GOSISDBHSA-N 0 3 340.471 3.203 20 10 EGCDHN Cc1ccc(C)c(CN2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c1O ZINC001140181204 1378027079 /nfs/dbraw/zinc/02/70/79/1378027079.db2.gz PWKRXEQJZCFPJN-GJZGRUSLSA-N 0 3 332.444 3.203 20 10 EGCDHN CCN1CCN(c2ccc(CN3Cc4ccc(F)cc4C3)cc2)CC1 ZINC001140304031 1378042757 /nfs/dbraw/zinc/04/27/57/1378042757.db2.gz FHKHPUBAWQRUBM-UHFFFAOYSA-N 0 3 339.458 3.483 20 10 EGCDHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1cc(Cl)ccc1N ZINC001140714880 1378123056 /nfs/dbraw/zinc/12/30/56/1378123056.db2.gz BTRIHHOJLZYPNZ-UHFFFAOYSA-N 0 3 345.874 3.391 20 10 EGCDHN COc1cc([O-])c(C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)c(OC)c1 ZINC001141033035 1378214055 /nfs/dbraw/zinc/21/40/55/1378214055.db2.gz XFQXDKITSZTESJ-HNNXBMFYSA-N 0 3 347.386 3.202 20 10 EGCDHN COc1cc([O-])c(C[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)c(OC)c1 ZINC001141033035 1378214058 /nfs/dbraw/zinc/21/40/58/1378214058.db2.gz XFQXDKITSZTESJ-HNNXBMFYSA-N 0 3 347.386 3.202 20 10 EGCDHN COc1cc(O)c(CN2CC[C@H](Oc3cccc(F)c3)C2)c(OC)c1 ZINC001141033035 1378214063 /nfs/dbraw/zinc/21/40/63/1378214063.db2.gz XFQXDKITSZTESJ-HNNXBMFYSA-N 0 3 347.386 3.202 20 10 EGCDHN CCN(CC)Cc1cccc(NCCc2cc(O)c(O)cc2O)c1F ZINC001168018091 1383797905 /nfs/dbraw/zinc/79/79/05/1383797905.db2.gz XKFDPYGHFSJQOP-UHFFFAOYSA-N 0 3 348.418 3.439 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCCC[C@H]2N(C)C)c1[O-] ZINC001319952344 1386413505 /nfs/dbraw/zinc/41/35/05/1386413505.db2.gz ZVVYPGZMCMBUIK-HUUCEWRRSA-N 0 3 341.293 3.426 20 10 EGCDHN Cc1cscc1CNCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001320938544 1386764259 /nfs/dbraw/zinc/76/42/59/1386764259.db2.gz RCEMPVOIHWWLQT-UHFFFAOYSA-N 0 3 333.476 3.237 20 10 EGCDHN CCOc1ccc(C[NH2+][C@@H](CO)Cc2ccc(C)c(C)c2)c([O-])c1 ZINC000835072723 1126111399 /nfs/dbraw/zinc/11/13/99/1126111399.db2.gz HEZZQTCCDATKKN-GOSISDBHSA-N 0 3 329.440 3.101 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C2CCN(CC(F)(F)F)CC2)c1 ZINC000185291222 455534430 /nfs/dbraw/zinc/53/44/30/455534430.db2.gz AVVZPFIKISUCML-NSHDSACASA-N 0 3 332.366 3.078 20 10 EGCDHN Cc1cc(Br)cc(CN2CC[C@H](n3cccn3)C2)c1O ZINC000291336024 456609816 /nfs/dbraw/zinc/60/98/16/456609816.db2.gz VHACZHDKUFMTGT-AWEZNQCLSA-N 0 3 336.233 3.107 20 10 EGCDHN Cc1cc([O-])c(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1C ZINC000016878595 453623251 /nfs/dbraw/zinc/62/32/51/453623251.db2.gz SJBBQTCWHGTGAZ-UHFFFAOYSA-N 0 3 340.467 3.478 20 10 EGCDHN Cc1cc([O-])c(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1C ZINC000016878595 453623257 /nfs/dbraw/zinc/62/32/57/453623257.db2.gz SJBBQTCWHGTGAZ-UHFFFAOYSA-N 0 3 340.467 3.478 20 10 EGCDHN CC[C@H](NCCS(=O)(=O)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000089628986 454169772 /nfs/dbraw/zinc/16/97/72/454169772.db2.gz PVUBWTCMAYHUCE-INIZCTEOSA-N 0 3 326.506 3.007 20 10 EGCDHN CCC[N@H+](C)C[C@H]1CCN(Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000184699910 455432003 /nfs/dbraw/zinc/43/20/03/455432003.db2.gz SWXDXHPXIDARPV-CYBMUJFWSA-N 0 3 326.868 3.218 20 10 EGCDHN CCC[N@@H+](C)C[C@H]1CCN(Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000184699910 455432007 /nfs/dbraw/zinc/43/20/07/455432007.db2.gz SWXDXHPXIDARPV-CYBMUJFWSA-N 0 3 326.868 3.218 20 10 EGCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)cc1C(C)C ZINC000050900630 454601373 /nfs/dbraw/zinc/60/13/73/454601373.db2.gz OTRCGAJHPXJTBE-OAHLLOKOSA-N 0 3 330.472 3.315 20 10 EGCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)cc1C(C)C ZINC000050900630 454601377 /nfs/dbraw/zinc/60/13/77/454601377.db2.gz OTRCGAJHPXJTBE-OAHLLOKOSA-N 0 3 330.472 3.315 20 10 EGCDHN CCn1cc(C[N@H+](CC)Cc2cc(Br)ccc2[O-])cn1 ZINC000093866940 454741643 /nfs/dbraw/zinc/74/16/43/454741643.db2.gz DFPNTNUKBOPHOS-UHFFFAOYSA-N 0 3 338.249 3.393 20 10 EGCDHN CCn1cc(C[N@@H+](CC)Cc2cc(Br)ccc2[O-])cn1 ZINC000093866940 454741646 /nfs/dbraw/zinc/74/16/46/454741646.db2.gz DFPNTNUKBOPHOS-UHFFFAOYSA-N 0 3 338.249 3.393 20 10 EGCDHN CCCN(Cc1ccccc1O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000108928449 454816774 /nfs/dbraw/zinc/81/67/74/454816774.db2.gz DOFNOZGBKPAEKR-MRXNPFEDSA-N 0 3 333.476 3.188 20 10 EGCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+]C2CCSCC2)C1 ZINC000113359269 454924822 /nfs/dbraw/zinc/92/48/22/454924822.db2.gz AFPBMXFADVFHDZ-INIZCTEOSA-N 0 3 340.920 3.495 20 10 EGCDHN C[C@@H](CN1CCCC1=O)N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000178490790 454956669 /nfs/dbraw/zinc/95/66/69/454956669.db2.gz IDWDAOITDSXNBB-HOTGVXAUSA-N 0 3 347.478 3.478 20 10 EGCDHN CCN1CCN(c2ccc(CN[C@H](C)c3cncs3)cc2F)CC1 ZINC000155275853 454982241 /nfs/dbraw/zinc/98/22/41/454982241.db2.gz NCXQLAKPCXPFDV-CQSZACIVSA-N 0 3 348.491 3.275 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]Cc2cccc(Cn3cccn3)c2)c1 ZINC000185093828 455500193 /nfs/dbraw/zinc/50/01/93/455500193.db2.gz KXCPVASZTVBMPB-OAHLLOKOSA-N 0 3 337.423 3.496 20 10 EGCDHN CCN(Cc1ccc(OC)cc1)Cc1cc(OC)c(OC)cc1O ZINC000179698236 455067965 /nfs/dbraw/zinc/06/79/65/455067965.db2.gz ZTPLKCUKCVSYQR-UHFFFAOYSA-N 0 3 331.412 3.440 20 10 EGCDHN CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(OC)c(OC)cc1[O-] ZINC000179698236 455067966 /nfs/dbraw/zinc/06/79/66/455067966.db2.gz ZTPLKCUKCVSYQR-UHFFFAOYSA-N 0 3 331.412 3.440 20 10 EGCDHN CC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(OC)c(OC)cc1[O-] ZINC000179698236 455067968 /nfs/dbraw/zinc/06/79/68/455067968.db2.gz ZTPLKCUKCVSYQR-UHFFFAOYSA-N 0 3 331.412 3.440 20 10 EGCDHN COc1cc(O)c(CN2CCC[C@H](Nc3ccccc3)C2)cc1OC ZINC000180488938 455180832 /nfs/dbraw/zinc/18/08/32/455180832.db2.gz HKISUUUHLTZKIF-KRWDZBQOSA-N 0 3 342.439 3.486 20 10 EGCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)cc1OC ZINC000180488938 455180838 /nfs/dbraw/zinc/18/08/38/455180838.db2.gz HKISUUUHLTZKIF-KRWDZBQOSA-N 0 3 342.439 3.486 20 10 EGCDHN COc1cc([O-])c(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)cc1OC ZINC000180488938 455180844 /nfs/dbraw/zinc/18/08/44/455180844.db2.gz HKISUUUHLTZKIF-KRWDZBQOSA-N 0 3 342.439 3.486 20 10 EGCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1OC ZINC000245947523 455405427 /nfs/dbraw/zinc/40/54/27/455405427.db2.gz WDCGJONPACISRW-GDBMZVCRSA-N 0 3 347.411 3.091 20 10 EGCDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1OC ZINC000245947523 455405429 /nfs/dbraw/zinc/40/54/29/455405429.db2.gz WDCGJONPACISRW-GDBMZVCRSA-N 0 3 347.411 3.091 20 10 EGCDHN COc1cc(O)c(CN2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1OC ZINC000245947523 455405433 /nfs/dbraw/zinc/40/54/33/455405433.db2.gz WDCGJONPACISRW-GDBMZVCRSA-N 0 3 347.411 3.091 20 10 EGCDHN Cc1n[nH]cc1CN[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000174622312 455407000 /nfs/dbraw/zinc/40/70/00/455407000.db2.gz JSUOKZWVOFZGON-AWEZNQCLSA-N 0 3 336.386 3.078 20 10 EGCDHN CCOc1cccc(CN[C@H](C[S@@](C)=O)c2ccccc2)c1O ZINC000182097569 455435328 /nfs/dbraw/zinc/43/53/28/455435328.db2.gz WZIHTYFAEKIXQI-WAIKUNEKSA-N 0 3 333.453 3.000 20 10 EGCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H](CN2CCOCC2)c2ccccc2)c1 ZINC000184903872 455469996 /nfs/dbraw/zinc/46/99/96/455469996.db2.gz XXZZLWAOBGQFSR-PXNSSMCTSA-N 0 3 340.467 3.425 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](c2ccccc2)N2CCOCC2)c([O-])c1 ZINC000184919369 455472568 /nfs/dbraw/zinc/47/25/68/455472568.db2.gz YUQNECJTRZELFE-YLJYHZDGSA-N 0 3 340.467 3.425 20 10 EGCDHN COc1ccc(OC)c([C@H](O)C[NH2+][C@@H](C)c2ccc(C)cc2[O-])c1 ZINC000184946939 455476515 /nfs/dbraw/zinc/47/65/15/455476515.db2.gz GTVZSAKBAFLYHZ-SCLBCKFNSA-N 0 3 331.412 3.102 20 10 EGCDHN C[C@@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1cc(F)ccc1[O-] ZINC000184979998 455480483 /nfs/dbraw/zinc/48/04/83/455480483.db2.gz JJLSPMVHZCDNDV-GFCCVEGCSA-N 0 3 332.375 3.080 20 10 EGCDHN C[C@@H](CO[C@@H]1CCOC1)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000267901616 455562399 /nfs/dbraw/zinc/56/23/99/455562399.db2.gz LKTZXPPGURNJLX-HNAYVOBHSA-N 0 3 327.424 3.343 20 10 EGCDHN C[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1cc(Cl)ccc1[O-] ZINC000185491615 455567184 /nfs/dbraw/zinc/56/71/84/455567184.db2.gz GSJWMPRGGOWBJZ-UONOGXRCSA-N 0 3 338.879 3.197 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]CCNc2nccc(C(F)(F)F)n2)c([O-])c1 ZINC000185498727 455568375 /nfs/dbraw/zinc/56/83/75/455568375.db2.gz AKNIRBCCTPBBKU-LLVKDONJSA-N 0 3 340.349 3.272 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]CCCNC(=O)c2ccc(F)cc2)c([O-])c1 ZINC000186013735 455675339 /nfs/dbraw/zinc/67/53/39/455675339.db2.gz XSESOTOJQWUHLI-CQSZACIVSA-N 0 3 330.403 3.310 20 10 EGCDHN C[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1=O)c1cc(F)ccc1[O-] ZINC000186022968 455677716 /nfs/dbraw/zinc/67/77/16/455677716.db2.gz NYLNGVBFMQXAMY-NHYWBVRUSA-N 0 3 332.350 3.127 20 10 EGCDHN C[C@@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1=O)c1cc(F)ccc1[O-] ZINC000186195750 455713798 /nfs/dbraw/zinc/71/37/98/455713798.db2.gz BCUHCCKBCSYHBX-KDOFPFPSSA-N 0 3 342.414 3.373 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](c2ccco2)N2CCCC2)c1 ZINC000192916345 455717041 /nfs/dbraw/zinc/71/70/41/455717041.db2.gz UHZSKMUYDDXARC-PBHICJAKSA-N 0 3 330.428 3.482 20 10 EGCDHN COc1ccc([O-])c(C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)c1 ZINC000271736380 455739586 /nfs/dbraw/zinc/73/95/86/455739586.db2.gz OSOXWEHFFVGRSH-UHFFFAOYSA-N 0 3 346.471 3.062 20 10 EGCDHN CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1 ZINC000186373677 455755143 /nfs/dbraw/zinc/75/51/43/455755143.db2.gz RHKOSRFECZXBHG-AWEZNQCLSA-N 0 3 333.453 3.345 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(N3CCOC3=O)cc2)c1 ZINC000186526079 455787398 /nfs/dbraw/zinc/78/73/98/455787398.db2.gz QLAZMVIZIBVUCR-CYBMUJFWSA-N 0 3 342.395 3.208 20 10 EGCDHN COc1ccc(O)c([C@@H](C)NCc2ccc(N3CCOC3=O)cc2)c1 ZINC000186526079 455787400 /nfs/dbraw/zinc/78/74/00/455787400.db2.gz QLAZMVIZIBVUCR-CYBMUJFWSA-N 0 3 342.395 3.208 20 10 EGCDHN Cc1cc(CN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)ccc1N(C)C ZINC000293470171 455787500 /nfs/dbraw/zinc/78/75/00/455787500.db2.gz DZRCWKULTCUHRW-HUUCEWRRSA-N 0 3 330.394 3.054 20 10 EGCDHN Cc1cc(Br)cc(CN[C@@H]2CCCc3c[nH]nc32)c1O ZINC000271856162 455788225 /nfs/dbraw/zinc/78/82/25/455788225.db2.gz UXMFRJNVOBNEEN-CYBMUJFWSA-N 0 3 336.233 3.353 20 10 EGCDHN COc1ccc(O)c(CN[C@@H](c2ccccc2)C2(CO)CCC2)c1 ZINC000293804484 455798579 /nfs/dbraw/zinc/79/85/79/455798579.db2.gz DNGQMSWYDZTRPF-IBGZPJMESA-N 0 3 327.424 3.394 20 10 EGCDHN COc1ccc([O-])c(C[NH2+][C@@H](c2ccccc2)C2(CO)CCC2)c1 ZINC000293804484 455798582 /nfs/dbraw/zinc/79/85/82/455798582.db2.gz DNGQMSWYDZTRPF-IBGZPJMESA-N 0 3 327.424 3.394 20 10 EGCDHN CCNC(=O)[C@@H](C)[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000293870594 455798878 /nfs/dbraw/zinc/79/88/78/455798878.db2.gz UXRDVQQDLLOCOZ-QAPCUYQASA-N 0 3 326.440 3.180 20 10 EGCDHN O=C(C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-])NCC1CC1 ZINC000294079895 455804730 /nfs/dbraw/zinc/80/47/30/455804730.db2.gz IJAMMHRJTCVIDF-IBGZPJMESA-N 0 3 338.451 3.182 20 10 EGCDHN CCCOc1ccc(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c([O-])c1 ZINC000278429358 455834963 /nfs/dbraw/zinc/83/49/63/455834963.db2.gz SYSFFEBXVFNKAC-CJNGLKHVSA-N 0 3 347.377 3.316 20 10 EGCDHN CCCOc1ccc(C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c([O-])c1 ZINC000278429358 455834969 /nfs/dbraw/zinc/83/49/69/455834969.db2.gz SYSFFEBXVFNKAC-CJNGLKHVSA-N 0 3 347.377 3.316 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ccnn3C)C2)c([O-])c1C ZINC000278440147 455836478 /nfs/dbraw/zinc/83/64/78/455836478.db2.gz KIZBWZTTYQBYAG-CVEARBPZSA-N 0 3 328.460 3.062 20 10 EGCDHN COc1cc(O)c(CN[C@@H]2C[C@@H](C)Oc3ccccc32)cc1OC ZINC000295129708 455840466 /nfs/dbraw/zinc/84/04/66/455840466.db2.gz XWOHKFQOOPMQFG-IUODEOHRSA-N 0 3 329.396 3.411 20 10 EGCDHN CCOc1ccc([O-])c(C[NH+]2CCC(c3ccnn3CC)CC2)c1 ZINC000279353064 455863815 /nfs/dbraw/zinc/86/38/15/455863815.db2.gz GKAHICJDQBZOTK-UHFFFAOYSA-N 0 3 329.444 3.387 20 10 EGCDHN CCC[C@@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)[C@H](O)c1ccccc1 ZINC000279661892 455870647 /nfs/dbraw/zinc/87/06/47/455870647.db2.gz MAAQWJDTUINIAQ-DNVCBOLYSA-N 0 3 329.396 3.113 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCSCCCO)c1[O-] ZINC000187174129 455876308 /nfs/dbraw/zinc/87/63/08/455876308.db2.gz CWRMTOOONZZGEQ-LLVKDONJSA-N 0 3 348.306 3.229 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCSCCCO)c1[O-] ZINC000187174146 455876341 /nfs/dbraw/zinc/87/63/41/455876341.db2.gz CWRMTOOONZZGEQ-NSHDSACASA-N 0 3 348.306 3.229 20 10 EGCDHN [O-]c1ccccc1C[N@H+](CC[C@@H](O)c1ccccc1)C[C@@H]1CCCO1 ZINC000285611267 455881594 /nfs/dbraw/zinc/88/15/94/455881594.db2.gz MDQGYJRFQOILHX-PZJWPPBQSA-N 0 3 341.451 3.497 20 10 EGCDHN [O-]c1ccccc1C[N@@H+](CC[C@@H](O)c1ccccc1)C[C@@H]1CCCO1 ZINC000285611267 455881596 /nfs/dbraw/zinc/88/15/96/455881596.db2.gz MDQGYJRFQOILHX-PZJWPPBQSA-N 0 3 341.451 3.497 20 10 EGCDHN CC[C@H]([NH2+]CCCNC(=O)c1cccc(O)c1)c1ccc(C)cc1[O-] ZINC000280050297 455881826 /nfs/dbraw/zinc/88/18/26/455881826.db2.gz JMNRXIYPWQJMQW-SFHVURJKSA-N 0 3 342.439 3.267 20 10 EGCDHN CC[C@H]([NH2+]C1CCN(c2cccnn2)CC1)c1ccc(C)cc1[O-] ZINC000280079120 455886474 /nfs/dbraw/zinc/88/64/74/455886474.db2.gz LQBUHNFTJMVCFJ-KRWDZBQOSA-N 0 3 326.444 3.200 20 10 EGCDHN CC[C@H]([NH2+][C@H](C)C(=O)NCc1ccccc1)c1ccc(C)cc1[O-] ZINC000280171062 455907696 /nfs/dbraw/zinc/90/76/96/455907696.db2.gz RDPOOWUCFZNQAN-QAPCUYQASA-N 0 3 326.440 3.446 20 10 EGCDHN COc1cc([O-])c(C[NH2+][C@H](C)[C@@H](OC)c2ccccc2F)cc1OC ZINC000272453281 455955589 /nfs/dbraw/zinc/95/55/89/455955589.db2.gz WNCMCMNLIHDTCG-CWTRNNRKSA-N 0 3 349.402 3.414 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](COc3ccccc3)C1)OCO2 ZINC000272550537 455991236 /nfs/dbraw/zinc/99/12/36/455991236.db2.gz TWQXQSMUBDOBIT-AWEZNQCLSA-N 0 3 327.380 3.022 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](COc3ccccc3)C1)OCO2 ZINC000272550537 455991241 /nfs/dbraw/zinc/99/12/41/455991241.db2.gz TWQXQSMUBDOBIT-AWEZNQCLSA-N 0 3 327.380 3.022 20 10 EGCDHN O=C(CCC[NH2+][C@@H]1CCc2cccc([O-])c21)N1CCc2ccccc21 ZINC000296675991 456007660 /nfs/dbraw/zinc/00/76/60/456007660.db2.gz GERJRGGKMTTWMM-QGZVFWFLSA-N 0 3 336.435 3.339 20 10 EGCDHN CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296690674 456011083 /nfs/dbraw/zinc/01/10/83/456011083.db2.gz HDKVKMDVPPAWKP-DOTOQJQBSA-N 0 3 345.464 3.222 20 10 EGCDHN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000272621795 456017296 /nfs/dbraw/zinc/01/72/96/456017296.db2.gz LYQKTNIFSJZIFQ-CHWSQXEVSA-N 0 3 338.423 3.266 20 10 EGCDHN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000272621795 456017300 /nfs/dbraw/zinc/01/73/00/456017300.db2.gz LYQKTNIFSJZIFQ-CHWSQXEVSA-N 0 3 338.423 3.266 20 10 EGCDHN COC[C@@H](NCc1ccc(N(C)C)cc1C(F)(F)F)[C@@H]1CCCO1 ZINC000280689186 456032199 /nfs/dbraw/zinc/03/21/99/456032199.db2.gz VPBDWRDFWFWMAF-CVEARBPZSA-N 0 3 346.393 3.055 20 10 EGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCCn2cc(Br)cn2)c1 ZINC000287196326 456063638 /nfs/dbraw/zinc/06/36/38/456063638.db2.gz DNFQQCHOVOFLME-LBPRGKRZSA-N 0 3 338.249 3.401 20 10 EGCDHN CCOCc1cc(CN[C@@H](C)[C@H](O)c2ccccc2)ccc1OC ZINC000288634069 456101265 /nfs/dbraw/zinc/10/12/65/456101265.db2.gz SZVPQJYAZIBDSN-YWZLYKJASA-N 0 3 329.440 3.443 20 10 EGCDHN CCOc1cccc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)c1[O-] ZINC000289839568 456150940 /nfs/dbraw/zinc/15/09/40/456150940.db2.gz NCLPYGNSPZFOCK-PXNSSMCTSA-N 0 3 327.424 3.047 20 10 EGCDHN Cc1cc(C)c([C@H](C)[NH2+]C2CCC(CS(C)(=O)=O)CC2)c([O-])c1 ZINC000297227308 456155225 /nfs/dbraw/zinc/15/52/25/456155225.db2.gz HPTZULNKRSHLTK-FHERZECASA-N 0 3 339.501 3.263 20 10 EGCDHN Cc1ccc([O-])c(C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)c1 ZINC000271198972 456168150 /nfs/dbraw/zinc/16/81/50/456168150.db2.gz PWMSRDJMPHOQEH-UHFFFAOYSA-N 0 3 330.472 3.362 20 10 EGCDHN Cc1cccc(CNCc2ccncc2OCC(F)(F)F)c1O ZINC000281225398 456170523 /nfs/dbraw/zinc/17/05/23/456170523.db2.gz KPZCRAUFFMYCND-UHFFFAOYSA-N 0 3 326.318 3.327 20 10 EGCDHN Fc1cncc([C@@H](NCc2ccc(N3CCOCC3)cc2)C2CC2)c1 ZINC000281307240 456196117 /nfs/dbraw/zinc/19/61/17/456196117.db2.gz RPHXLZSLAIRXNZ-FQEVSTJZSA-N 0 3 341.430 3.298 20 10 EGCDHN COc1cccc(CN[C@@H](C)c2ccc3c(c2)CCC(=O)N3)c1O ZINC000263720288 456202191 /nfs/dbraw/zinc/20/21/91/456202191.db2.gz WBQOEISWJIWLOM-LBPRGKRZSA-N 0 3 326.396 3.136 20 10 EGCDHN COc1cccc(C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)c1[O-] ZINC000263720288 456202196 /nfs/dbraw/zinc/20/21/96/456202196.db2.gz WBQOEISWJIWLOM-LBPRGKRZSA-N 0 3 326.396 3.136 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(Cn3cncn3)cc2)c([O-])c1C ZINC000273380841 456227315 /nfs/dbraw/zinc/22/73/15/456227315.db2.gz IEADURGVIMABQR-INIZCTEOSA-N 0 3 336.439 3.500 20 10 EGCDHN COc1ccc(OC)c([C@@H](O)C[NH2+][C@H](C)c2ccc(C)c(C)c2[O-])c1 ZINC000273405986 456229042 /nfs/dbraw/zinc/22/90/42/456229042.db2.gz OMZAKWPZULYBFJ-KDOFPFPSSA-N 0 3 345.439 3.410 20 10 EGCDHN C[C@@H]([NH2+]Cc1cccc(CN(C)C)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273400958 456229221 /nfs/dbraw/zinc/22/92/21/456229221.db2.gz NDSKMUOWGNKDRE-CYBMUJFWSA-N 0 3 329.400 3.213 20 10 EGCDHN COCCOc1ncccc1CN[C@H](C)c1ccc(C)c(C)c1O ZINC000273439650 456232103 /nfs/dbraw/zinc/23/21/03/456232103.db2.gz YBHSGRIOLZVKCH-OAHLLOKOSA-N 0 3 330.428 3.280 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)c([O-])c1C ZINC000273476571 456233304 /nfs/dbraw/zinc/23/33/04/456233304.db2.gz KWARFAPDXSJBKH-SNRMKQJTSA-N 0 3 332.488 3.037 20 10 EGCDHN CCOCc1cc(CN[C@@H]2C[C@@H](OCC)[C@@]23CCCO3)ccc1OC ZINC000273535550 456238103 /nfs/dbraw/zinc/23/81/03/456238103.db2.gz ALENFDVUMVKLOE-VAMGGRTRSA-N 0 3 349.471 3.048 20 10 EGCDHN CC[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)c1ccccc1[O-] ZINC000274783214 456264480 /nfs/dbraw/zinc/26/44/80/456264480.db2.gz PTKNENJJOBFECH-QZTJIDSGSA-N 0 3 339.439 3.019 20 10 EGCDHN CS(=O)(=O)CCCCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000274785620 456264785 /nfs/dbraw/zinc/26/47/85/456264785.db2.gz WWDKBHAIRYJHPZ-UHFFFAOYSA-N 0 3 347.480 3.364 20 10 EGCDHN O=C(NCC[NH2+][C@H]1CCc2cccc([O-])c21)c1ccc(Cl)cc1 ZINC000297864128 456312404 /nfs/dbraw/zinc/31/24/04/456312404.db2.gz UFQWURTXBQMPAL-HNNXBMFYSA-N 0 3 330.815 3.053 20 10 EGCDHN COc1cccc(C[N@@H+]2CCC[C@@H]2Cn2cnc3ccccc32)c1[O-] ZINC000290413031 456321130 /nfs/dbraw/zinc/32/11/30/456321130.db2.gz KEASXTNTRFNUDI-MRXNPFEDSA-N 0 3 337.423 3.415 20 10 EGCDHN COc1cccc(C[N@H+]2CCC[C@@H]2Cn2cnc3ccccc32)c1[O-] ZINC000290413031 456321132 /nfs/dbraw/zinc/32/11/32/456321132.db2.gz KEASXTNTRFNUDI-MRXNPFEDSA-N 0 3 337.423 3.415 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC2([S@@](C)=O)CC2)c1[O-] ZINC000282203663 456441482 /nfs/dbraw/zinc/44/14/82/456441482.db2.gz GYXJOEBELCOLHS-APBUJDDRSA-N 0 3 346.290 3.025 20 10 EGCDHN CCOc1ccc(O)c(CN[C@]2(CO)CCCc3ccccc32)c1 ZINC000282389817 456498235 /nfs/dbraw/zinc/49/82/35/456498235.db2.gz OWORWQHUASZDMQ-FQEVSTJZSA-N 0 3 327.424 3.105 20 10 EGCDHN COc1ccc([C@H](O)C2CC[NH+](Cc3cc(F)ccc3[O-])CC2)cc1 ZINC000291299488 456595987 /nfs/dbraw/zinc/59/59/87/456595987.db2.gz QMBKHTGALDXGLX-FQEVSTJZSA-N 0 3 345.414 3.486 20 10 EGCDHN CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000277415650 456817515 /nfs/dbraw/zinc/81/75/15/456817515.db2.gz GUYUPFBGISIEGO-GOSISDBHSA-N 0 3 345.487 3.331 20 10 EGCDHN CCN(CC)c1ccc(CN2CC[C@@H](c3nccn3C)C2)cc1F ZINC000367710143 457974554 /nfs/dbraw/zinc/97/45/54/457974554.db2.gz YMBOXWXPWQESOR-MRXNPFEDSA-N 0 3 330.451 3.395 20 10 EGCDHN COc1cc(Br)cc(C[NH2+][C@@H]2C[C@]2(C)OC(C)C)c1[O-] ZINC000527799809 459740430 /nfs/dbraw/zinc/74/04/30/459740430.db2.gz NBMLBBHGVMZPMO-HIFRSBDPSA-N 0 3 344.249 3.209 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2Cc3ccccc3NC2=O)c2c1c(F)ccc2[O-] ZINC000528002987 459793634 /nfs/dbraw/zinc/79/36/34/459793634.db2.gz UIIPBHWWCOGJOU-WKPIXPDZSA-N 0 3 326.371 3.233 20 10 EGCDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCc2ccccc2O)C1 ZINC000726237805 574546889 /nfs/dbraw/zinc/54/68/89/574546889.db2.gz MVWMLQZOSJLECS-YJBOKZPZSA-N 0 3 339.439 3.027 20 10 EGCDHN CN(C)C(=O)c1cccc(CNCc2ccc3c(c2)CCCN3C)c1 ZINC000727643818 574680390 /nfs/dbraw/zinc/68/03/90/574680390.db2.gz OSGWBAFJPCBJNR-UHFFFAOYSA-N 0 3 337.467 3.061 20 10 EGCDHN CC[NH+](CC)[C@@H](CNC(=O)c1cc([O-])cs1)Cc1ccccc1 ZINC000731868849 575216596 /nfs/dbraw/zinc/21/65/96/575216596.db2.gz ZVFVKMGDCZDNEG-OAHLLOKOSA-N 0 3 332.469 3.137 20 10 EGCDHN O=[N+]([O-])c1cc(CNC[C@H]2CCCC[C@@H]2O)ccc1N1CCCCC1 ZINC000740900492 576635402 /nfs/dbraw/zinc/63/54/02/576635402.db2.gz RCDJNMMDZHFPEV-APWZRJJASA-N 0 3 347.459 3.226 20 10 EGCDHN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000742169937 576754919 /nfs/dbraw/zinc/75/49/19/576754919.db2.gz VFCMCUABSFQPDC-MRXNPFEDSA-N 0 3 325.456 3.248 20 10 EGCDHN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000742169937 576754921 /nfs/dbraw/zinc/75/49/21/576754921.db2.gz VFCMCUABSFQPDC-MRXNPFEDSA-N 0 3 325.456 3.248 20 10 EGCDHN CCN(C)C[C@@H]1CC[N@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000829613866 600718077 /nfs/dbraw/zinc/71/80/77/600718077.db2.gz UXZXZOAPNOKPKP-AWEZNQCLSA-N 0 3 342.439 3.017 20 10 EGCDHN CCN(C)C[C@@H]1CC[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000829613866 600718079 /nfs/dbraw/zinc/71/80/79/600718079.db2.gz UXZXZOAPNOKPKP-AWEZNQCLSA-N 0 3 342.439 3.017 20 10 EGCDHN CC(C)N1CCC([NH2+]Cc2ccc(Br)cc2[O-])CC1 ZINC000691490051 1298134027 /nfs/dbraw/zinc/13/40/27/1298134027.db2.gz VOCFEAZKQWZRPV-UHFFFAOYSA-N 0 3 327.266 3.117 20 10 EGCDHN CCCCCn1cc(CNCc2cc3c(cc2O)OCO3)c(C)n1 ZINC000767426133 1302672372 /nfs/dbraw/zinc/67/23/72/1302672372.db2.gz IRAWWWLDHGRLQC-UHFFFAOYSA-N 0 3 331.416 3.106 20 10 EGCDHN C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@]1(C)CO ZINC000827699614 1292356798 /nfs/dbraw/zinc/35/67/98/1292356798.db2.gz JQVMVKXNMXLOLI-IIBYNOLFSA-N 0 3 341.451 3.422 20 10 EGCDHN C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@]1(C)CO ZINC000827699614 1292356804 /nfs/dbraw/zinc/35/68/04/1292356804.db2.gz JQVMVKXNMXLOLI-IIBYNOLFSA-N 0 3 341.451 3.422 20 10 EGCDHN CN(Cc1cccs1)c1ccc(CN2CCCN(C=O)CC2)cc1 ZINC000827868035 1292390203 /nfs/dbraw/zinc/39/02/03/1292390203.db2.gz VHLOFWXAONZKAV-UHFFFAOYSA-N 0 3 343.496 3.049 20 10 EGCDHN COCC[N@@H+](Cc1cc(Br)cc(OC)c1[O-])CC(C)C ZINC000092563268 1292874315 /nfs/dbraw/zinc/87/43/15/1292874315.db2.gz UBSNSPRLEQHNJU-UHFFFAOYSA-N 0 3 346.265 3.268 20 10 EGCDHN COCC[N@H+](Cc1cc(Br)cc(OC)c1[O-])CC(C)C ZINC000092563268 1292874329 /nfs/dbraw/zinc/87/43/29/1292874329.db2.gz UBSNSPRLEQHNJU-UHFFFAOYSA-N 0 3 346.265 3.268 20 10 EGCDHN CCOC[C@H]1CCN(Cc2cc(Br)cc(OC)c2O)C1 ZINC000093838723 1292932460 /nfs/dbraw/zinc/93/24/60/1292932460.db2.gz HUBILJWDWHXUDN-NSHDSACASA-N 0 3 344.249 3.022 20 10 EGCDHN O=C(C1CCC1)N(CCC[NH2+][C@@H]1CCc2cccc([O-])c21)C1CC1 ZINC000834640494 1293125482 /nfs/dbraw/zinc/12/54/82/1293125482.db2.gz MVPWMFIGBHRQRI-QGZVFWFLSA-N 0 3 328.456 3.150 20 10 EGCDHN O=C1C[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CN1[C@@H]1C[C@@H]1c1ccccc1 ZINC000834672784 1293131338 /nfs/dbraw/zinc/13/13/38/1293131338.db2.gz JITFFSKUEIMGEQ-WJFTUGDTSA-N 0 3 348.446 3.126 20 10 EGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@]1(CO)C[C@@H]1c1ccc(F)cc1)CC2 ZINC000834783033 1293147133 /nfs/dbraw/zinc/14/71/33/1293147133.db2.gz ARAVJGFQTQVZLG-MBOZVWFJSA-N 0 3 327.399 3.274 20 10 EGCDHN Cc1cc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)ccn1 ZINC000834860761 1293158749 /nfs/dbraw/zinc/15/87/49/1293158749.db2.gz TZBMSTDCPAFBRX-OAHLLOKOSA-N 0 3 329.419 3.217 20 10 EGCDHN CC[C@@H]([NH2+][C@H](C)C(=O)NCCc1ccccc1)c1ccccc1[O-] ZINC000834914056 1293174983 /nfs/dbraw/zinc/17/49/83/1293174983.db2.gz KVNYPRCZJVVRHJ-CRAIPNDOSA-N 0 3 326.440 3.180 20 10 EGCDHN CCOc1ccc(C[N@@H+]2CC[C@@](C)(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000835071098 1293200212 /nfs/dbraw/zinc/20/02/12/1293200212.db2.gz VDXMHMYAPURUSA-LJQANCHMSA-N 0 3 335.444 3.345 20 10 EGCDHN CCOc1ccc(C[N@H+]2CC[C@@](C)(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000835071098 1293200215 /nfs/dbraw/zinc/20/02/15/1293200215.db2.gz VDXMHMYAPURUSA-LJQANCHMSA-N 0 3 335.444 3.345 20 10 EGCDHN C[C@@H]([NH2+][C@@H](C)CN1CCN(c2ccccc2)CC1)c1ccccc1[O-] ZINC000183529300 1295129297 /nfs/dbraw/zinc/12/92/97/1295129297.db2.gz HVMZFINLKUAYAJ-ZWKOTPCHSA-N 0 3 339.483 3.254 20 10 EGCDHN CCN1CCN(c2cccc(NC(=O)c3ccc(F)cc3)c2)CC1 ZINC000184264641 1295184955 /nfs/dbraw/zinc/18/49/55/1295184955.db2.gz AMGYRSZWXYSDAV-UHFFFAOYSA-N 0 3 327.403 3.220 20 10 EGCDHN [O-]c1ccc(Br)cc1CN1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000300417082 1296781006 /nfs/dbraw/zinc/78/10/06/1296781006.db2.gz KHFYOAOLPKNVJY-HUUCEWRRSA-N 0 3 339.277 3.261 20 10 EGCDHN C[C@H]([NH2+]CC(C)(C)N1CCN(C)CC1)c1ccc2ccccc2c1[O-] ZINC000326697881 1297239528 /nfs/dbraw/zinc/23/95/28/1297239528.db2.gz UMILIFRIYFDXNL-INIZCTEOSA-N 0 3 341.499 3.222 20 10 EGCDHN COc1ccc(CN[C@@H]2CCc3c2cccc3O)cc1Cn1cccn1 ZINC000873046476 1297245159 /nfs/dbraw/zinc/24/51/59/1297245159.db2.gz PMFGJRKFTINNAF-LJQANCHMSA-N 0 3 349.434 3.423 20 10 EGCDHN CN(C)C1(C[NH2+]Cc2c([O-])cccc2Br)CCCC1 ZINC000706872007 1298226055 /nfs/dbraw/zinc/22/60/55/1298226055.db2.gz WLYXNBQTUPTOLS-UHFFFAOYSA-N 0 3 327.266 3.119 20 10 EGCDHN CN1CCCC[C@@H](C[NH2+]Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715719839 1298282896 /nfs/dbraw/zinc/28/28/96/1298282896.db2.gz VEGKXBGNYCJMGC-NSHDSACASA-N 0 3 345.256 3.115 20 10 EGCDHN Cc1ccc(C(=O)NC2CC[NH+](Cc3c(C)cccc3[O-])CC2)s1 ZINC000876652394 1298897868 /nfs/dbraw/zinc/89/78/68/1298897868.db2.gz OKSSKTNQULHNQE-UHFFFAOYSA-N 0 3 344.480 3.465 20 10 EGCDHN CCN(C[C@H]1CC[N@H+](Cc2ccc(C)cc2[O-])C1)CC(F)(F)F ZINC000876782666 1298983992 /nfs/dbraw/zinc/98/39/92/1298983992.db2.gz RLNAIQFSGGOJMG-CQSZACIVSA-N 0 3 330.394 3.407 20 10 EGCDHN CCN(C[C@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])C1)CC(F)(F)F ZINC000876782666 1298984004 /nfs/dbraw/zinc/98/40/04/1298984004.db2.gz RLNAIQFSGGOJMG-CQSZACIVSA-N 0 3 330.394 3.407 20 10 EGCDHN Cc1cccc([O-])c1C[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000876811013 1299006801 /nfs/dbraw/zinc/00/68/01/1299006801.db2.gz FXAAYJOKZQUNOD-CABCVRRESA-N 0 3 334.460 3.436 20 10 EGCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000876811013 1299006810 /nfs/dbraw/zinc/00/68/10/1299006810.db2.gz FXAAYJOKZQUNOD-CABCVRRESA-N 0 3 334.460 3.436 20 10 EGCDHN Cc1ccc(C[NH2+]C[C@H](c2cccc(F)c2)N2CCOCC2)c([O-])c1 ZINC000876990560 1299103533 /nfs/dbraw/zinc/10/35/33/1299103533.db2.gz HRCAHFOSQQYBEP-LJQANCHMSA-N 0 3 344.430 3.003 20 10 EGCDHN Cc1ccc(C[NH2+]CCCCn2cc(Br)cn2)c([O-])c1 ZINC000877487443 1299339653 /nfs/dbraw/zinc/33/96/53/1299339653.db2.gz UYCXIJWWSYLGHB-UHFFFAOYSA-N 0 3 338.249 3.230 20 10 EGCDHN C[C@H]1CN(Cc2ccc(N3CCC(O)CC3)cc2)CC2(CCCC2)O1 ZINC000877608696 1299428100 /nfs/dbraw/zinc/42/81/00/1299428100.db2.gz UZLZWDDDFNNGMT-KRWDZBQOSA-N 0 3 344.499 3.181 20 10 EGCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCN2CCCC[C@@H]2C)c1 ZINC000756362589 1300475977 /nfs/dbraw/zinc/47/59/77/1300475977.db2.gz JZSFNGUQZZICPL-LSDHHAIUSA-N 0 3 334.460 3.094 20 10 EGCDHN C[C@H](NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756418360 1300487184 /nfs/dbraw/zinc/48/71/84/1300487184.db2.gz ARROYLMNFDWBOH-ZNMIVQPWSA-N 0 3 335.448 3.319 20 10 EGCDHN C[C@H](NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756418360 1300487189 /nfs/dbraw/zinc/48/71/89/1300487189.db2.gz ARROYLMNFDWBOH-ZNMIVQPWSA-N 0 3 335.448 3.319 20 10 EGCDHN COCCOc1ccc(C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)cn1 ZINC000756430996 1300488068 /nfs/dbraw/zinc/48/80/68/1300488068.db2.gz AOSAFZWBINTCQM-DOMZBBRYSA-N 0 3 346.402 3.290 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+]CC2(C(=O)N(C)C)CCCC2)c2c1c(F)ccc2[O-] ZINC000756575903 1300525442 /nfs/dbraw/zinc/52/54/42/1300525442.db2.gz RDJCGJFWIYZUQV-OCCSQVGLSA-N 0 3 334.435 3.318 20 10 EGCDHN C[C@@H]([NH2+]C[C@H](O)COCc1ccccc1Cl)c1ccccc1[O-] ZINC000879649277 1300648995 /nfs/dbraw/zinc/64/89/95/1300648995.db2.gz OVQBJVMVHUSQEA-HIFRSBDPSA-N 0 3 335.831 3.274 20 10 EGCDHN COc1cccc(CN[C@H](CO)c2ccc(C(F)(F)F)cc2)c1O ZINC000758633354 1300927864 /nfs/dbraw/zinc/92/78/64/1300927864.db2.gz VIGYPEKFKGKGOM-CQSZACIVSA-N 0 3 341.329 3.243 20 10 EGCDHN C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1)c1ccccc1[O-] ZINC000760031357 1301211618 /nfs/dbraw/zinc/21/16/18/1301211618.db2.gz UYSMJAORUGGKQY-LLVKDONJSA-N 0 3 339.844 3.300 20 10 EGCDHN C[N@H+](Cc1ccc(OCc2ccccc2)cc1[O-])CC1(O)CCC1 ZINC000761218410 1301423277 /nfs/dbraw/zinc/42/32/77/1301423277.db2.gz CJGABNYFDHAUSF-UHFFFAOYSA-N 0 3 327.424 3.318 20 10 EGCDHN C[N@@H+](Cc1ccc(OCc2ccccc2)cc1[O-])CC1(O)CCC1 ZINC000761218410 1301423280 /nfs/dbraw/zinc/42/32/80/1301423280.db2.gz CJGABNYFDHAUSF-UHFFFAOYSA-N 0 3 327.424 3.318 20 10 EGCDHN COc1ccc(O)c(CN[C@H](Cc2nc(C)no2)c2ccccc2)c1 ZINC000763546578 1301922299 /nfs/dbraw/zinc/92/22/99/1301922299.db2.gz JHZQGYTXMRKJKA-QGZVFWFLSA-N 0 3 339.395 3.166 20 10 EGCDHN C[C@@H](N[C@@H](C)Cn1ccnc1)c1ccc(N2CCOCC2)cc1Cl ZINC000764889239 1302159592 /nfs/dbraw/zinc/15/95/92/1302159592.db2.gz KNAZBIOYJHXAMN-LSDHHAIUSA-N 0 3 348.878 3.112 20 10 EGCDHN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000882971984 1302188275 /nfs/dbraw/zinc/18/82/75/1302188275.db2.gz ZDWGTLJBMCCHED-INIZCTEOSA-N 0 3 346.421 3.325 20 10 EGCDHN CCOc1ccc(NC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000765386842 1302259501 /nfs/dbraw/zinc/25/95/01/1302259501.db2.gz VZNOGGUKVHZJDY-HNNXBMFYSA-N 0 3 341.455 3.441 20 10 EGCDHN COC(=O)/C=C\c1ccc(OCC[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000767321925 1302639109 /nfs/dbraw/zinc/63/91/09/1302639109.db2.gz KKAGXVFYFJEOIL-XFXZXTDPSA-N 0 3 341.407 3.089 20 10 EGCDHN COC(=O)/C=C\c1ccc(OCC[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000767321925 1302639119 /nfs/dbraw/zinc/63/91/19/1302639119.db2.gz KKAGXVFYFJEOIL-XFXZXTDPSA-N 0 3 341.407 3.089 20 10 EGCDHN COC(=O)/C=C/c1ccc(OCC[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000767321922 1302639391 /nfs/dbraw/zinc/63/93/91/1302639391.db2.gz KKAGXVFYFJEOIL-FMIVXFBMSA-N 0 3 341.407 3.089 20 10 EGCDHN COC(=O)/C=C/c1ccc(OCC[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000767321922 1302639398 /nfs/dbraw/zinc/63/93/98/1302639398.db2.gz KKAGXVFYFJEOIL-FMIVXFBMSA-N 0 3 341.407 3.089 20 10 EGCDHN CN(C)c1ccc(CN2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)cc1 ZINC000768249669 1302865506 /nfs/dbraw/zinc/86/55/06/1302865506.db2.gz ZFKXICKDBBBXBG-KRWDZBQOSA-N 0 3 333.476 3.194 20 10 EGCDHN CCOc1cccc(CN2CCN(CCc3cccs3)CC2)c1O ZINC000768357426 1302886685 /nfs/dbraw/zinc/88/66/85/1302886685.db2.gz JVPRKQJUXPTJDF-UHFFFAOYSA-N 0 3 346.496 3.213 20 10 EGCDHN CC1(C)CN(Cc2cc3c(cc2O)OC[C@@H]3O)[C@H]1c1ccccc1 ZINC000768440895 1302904868 /nfs/dbraw/zinc/90/48/68/1302904868.db2.gz APRGJHKWUJQXPB-HKUYNNGSSA-N 0 3 325.408 3.401 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](Cc3ccccc3)C1)[C@H](O)CO2 ZINC000768452129 1302908853 /nfs/dbraw/zinc/90/88/53/1302908853.db2.gz OYILXKHRMUUCFB-OXQOHEQNSA-N 0 3 339.435 3.273 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](Cc3ccccc3)C1)[C@H](O)CO2 ZINC000768452129 1302908860 /nfs/dbraw/zinc/90/88/60/1302908860.db2.gz OYILXKHRMUUCFB-OXQOHEQNSA-N 0 3 339.435 3.273 20 10 EGCDHN O=[N+]([O-])c1cc(CN2CCC[C@H](CCO)C2)ccc1N1CCCCC1 ZINC000769333215 1303093770 /nfs/dbraw/zinc/09/37/70/1303093770.db2.gz HKQVLOJWVIGPAH-MRXNPFEDSA-N 0 3 347.459 3.180 20 10 EGCDHN COc1cccc([O-])c1C[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000769382118 1303102568 /nfs/dbraw/zinc/10/25/68/1303102568.db2.gz RKGMAGWMFRLOMG-HXUWFJFHSA-N 0 3 345.414 3.486 20 10 EGCDHN C[C@H](O)C[C@H]1CCCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000769450945 1303114617 /nfs/dbraw/zinc/11/46/17/1303114617.db2.gz JXYVUVOPDVKQIO-DOTOQJQBSA-N 0 3 347.459 3.320 20 10 EGCDHN CCOc1ccc(C[NH2+]C(C)(C)C(=O)NCC2CCCCC2)c([O-])c1 ZINC000769934305 1303195830 /nfs/dbraw/zinc/19/58/30/1303195830.db2.gz QHXHVFKHJXXYRW-UHFFFAOYSA-N 0 3 348.487 3.356 20 10 EGCDHN CCN1CCN(c2cccc(NC(=O)c3cc(C)ccc3O)c2)CC1 ZINC000770148177 1303229139 /nfs/dbraw/zinc/22/91/39/1303229139.db2.gz RAHCYSBMVSWZPB-UHFFFAOYSA-N 0 3 339.439 3.095 20 10 EGCDHN [O-]c1cc2c(cc1C[NH2+]CC1(Cc3ccc(F)cc3)CC1)OCO2 ZINC000770742096 1303313002 /nfs/dbraw/zinc/31/30/02/1303313002.db2.gz RHTFKZUPQBDKPX-UHFFFAOYSA-N 0 3 329.371 3.373 20 10 EGCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+][C@@H]2CCCOCC2)C1 ZINC000771388947 1303397785 /nfs/dbraw/zinc/39/77/85/1303397785.db2.gz KVCVMGWLCAHOGH-SJORKVTESA-N 0 3 338.879 3.169 20 10 EGCDHN COc1cc(Br)cc(C[NH2+]C[C@H]2CCC[C@@H]2OC)c1[O-] ZINC000774832151 1303865169 /nfs/dbraw/zinc/86/51/69/1303865169.db2.gz JMTFUZOWBOHXHU-MFKMUULPSA-N 0 3 344.249 3.068 20 10 EGCDHN CCOc1ccc2c(c1)[C@H](NCc1cc3c(cc1O)OCO3)CCO2 ZINC000775345973 1303944250 /nfs/dbraw/zinc/94/42/50/1303944250.db2.gz RVEDEPHMISBZSS-OAHLLOKOSA-N 0 3 343.379 3.133 20 10 EGCDHN CCN(Cc1cc(OC)ccc1O)Cc1ccc(OC)cc1OC ZINC000775654000 1304004668 /nfs/dbraw/zinc/00/46/68/1304004668.db2.gz QVCQUBOEADYGOR-UHFFFAOYSA-N 0 3 331.412 3.440 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](CCO)C2CC2)c1[O-] ZINC000779031509 1304520436 /nfs/dbraw/zinc/52/04/36/1304520436.db2.gz IOEWHGJXURVGGX-HZMBPMFUSA-N 0 3 328.250 3.275 20 10 EGCDHN CC[C@@]1(O)CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000779217121 1304543431 /nfs/dbraw/zinc/54/34/31/1304543431.db2.gz PPSNTZNTICXPGR-HXUWFJFHSA-N 0 3 327.424 3.318 20 10 EGCDHN CC[C@@]1(O)CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000779217121 1304543436 /nfs/dbraw/zinc/54/34/36/1304543436.db2.gz PPSNTZNTICXPGR-HXUWFJFHSA-N 0 3 327.424 3.318 20 10 EGCDHN Cc1csc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000891247859 1304999518 /nfs/dbraw/zinc/99/95/18/1304999518.db2.gz KXKQUYHDYDONBL-INIZCTEOSA-N 0 3 331.485 3.155 20 10 EGCDHN CN(C)c1ccc(CN[C@H]2CCCN(C3CCCCC3)C2=O)cc1F ZINC000785548233 1305375298 /nfs/dbraw/zinc/37/52/98/1305375298.db2.gz LLNAPROAQKNQLV-SFHVURJKSA-N 0 3 347.478 3.305 20 10 EGCDHN Cc1cc(F)ncc1CNCc1ccc(N2CCSCC2)cc1 ZINC000892611933 1305470354 /nfs/dbraw/zinc/47/03/54/1305470354.db2.gz CWTUUINEEVQMPE-UHFFFAOYSA-N 0 3 331.460 3.372 20 10 EGCDHN Cc1nn(C(C)C)c(C)c1CNCc1ccc(N2CCOCC2)cc1 ZINC000892667957 1305495090 /nfs/dbraw/zinc/49/50/90/1305495090.db2.gz FHYCWHGRIMDUAT-UHFFFAOYSA-N 0 3 342.487 3.207 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@]2(CO)CC(C)C)c1[O-] ZINC000789592298 1306188223 /nfs/dbraw/zinc/18/82/23/1306188223.db2.gz AZKYSXOIDWWXFK-QGZVFWFLSA-N 0 3 327.852 3.427 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@]2(CO)CC(C)C)c1[O-] ZINC000789592298 1306188226 /nfs/dbraw/zinc/18/82/26/1306188226.db2.gz AZKYSXOIDWWXFK-QGZVFWFLSA-N 0 3 327.852 3.427 20 10 EGCDHN CCCn1ccnc1CCC[N@H+](C)Cc1ccc(OC)c(OC)c1[O-] ZINC000894478945 1308913363 /nfs/dbraw/zinc/91/33/63/1308913363.db2.gz GKQUOALFONSUCC-UHFFFAOYSA-N 0 3 347.459 3.081 20 10 EGCDHN CCCn1ccnc1CCC[N@@H+](C)Cc1ccc(OC)c(OC)c1[O-] ZINC000894478945 1308913370 /nfs/dbraw/zinc/91/33/70/1308913370.db2.gz GKQUOALFONSUCC-UHFFFAOYSA-N 0 3 347.459 3.081 20 10 EGCDHN COc1ccc(C[NH2+]Cc2c(C3CC3)nc3sccn23)c([O-])c1 ZINC000793387604 1309361910 /nfs/dbraw/zinc/36/19/10/1309361910.db2.gz IJOBHLASNLMWDU-UHFFFAOYSA-N 0 3 329.425 3.277 20 10 EGCDHN CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])s1 ZINC000797140986 1310147115 /nfs/dbraw/zinc/14/71/15/1310147115.db2.gz PGJIEAMZVJXPBP-IJLUTSLNSA-N 0 3 348.472 3.120 20 10 EGCDHN Cn1cc(-c2ccc(CNCc3ccc4c(c3)CCO4)s2)cn1 ZINC000800885681 1310827976 /nfs/dbraw/zinc/82/79/76/1310827976.db2.gz JJUOFECPMXABGG-UHFFFAOYSA-N 0 3 325.437 3.373 20 10 EGCDHN CC(C)[C@H](C)N(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899101650 1310934451 /nfs/dbraw/zinc/93/44/51/1310934451.db2.gz KHFBXYVUSYKYHB-MAUKXSAKSA-N 0 3 334.508 3.041 20 10 EGCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CC(C(=O)OC)=C(C)O1 ZINC000801597858 1310971712 /nfs/dbraw/zinc/97/17/12/1310971712.db2.gz PZMZBORMWDESJY-INIZCTEOSA-N 0 3 333.428 3.230 20 10 EGCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CC(C(=O)OC)=C(C)O1 ZINC000801597858 1310971718 /nfs/dbraw/zinc/97/17/18/1310971718.db2.gz PZMZBORMWDESJY-INIZCTEOSA-N 0 3 333.428 3.230 20 10 EGCDHN CCCC[N@H+](CCC[N-]C(=O)C(F)(F)F)Cc1ccccc1O ZINC000801596434 1310971735 /nfs/dbraw/zinc/97/17/35/1310971735.db2.gz ZKMJTGGNXRDEPE-UHFFFAOYSA-N 0 3 332.366 3.063 20 10 EGCDHN CCCC[N@@H+](CCC[N-]C(=O)C(F)(F)F)Cc1ccccc1O ZINC000801596434 1310971740 /nfs/dbraw/zinc/97/17/40/1310971740.db2.gz ZKMJTGGNXRDEPE-UHFFFAOYSA-N 0 3 332.366 3.063 20 10 EGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C1(CO)CCSCC1 ZINC000839177866 1320886383 /nfs/dbraw/zinc/88/63/83/1320886383.db2.gz SKZZEHUDIPTQMZ-UHFFFAOYSA-N 0 3 329.465 3.407 20 10 EGCDHN CCOc1ccc(C[N@@H+]2CC[C@H](Oc3ccc(C)cn3)C2)c([O-])c1 ZINC000858011712 1328657451 /nfs/dbraw/zinc/65/74/51/1328657451.db2.gz RDNPYYPPQLYNFB-KRWDZBQOSA-N 0 3 328.412 3.148 20 10 EGCDHN CCOc1ccc(C[N@H+]2CC[C@H](Oc3ccc(C)cn3)C2)c([O-])c1 ZINC000858011712 1328657458 /nfs/dbraw/zinc/65/74/58/1328657458.db2.gz RDNPYYPPQLYNFB-KRWDZBQOSA-N 0 3 328.412 3.148 20 10 EGCDHN CN(C)c1cc(F)c(CN[C@@H](Cn2ccnc2)C(C)(C)C)cc1F ZINC000858104787 1328683955 /nfs/dbraw/zinc/68/39/55/1328683955.db2.gz XPFIFUIXWMPIKP-KRWDZBQOSA-N 0 3 336.430 3.432 20 10 EGCDHN C[C@@H](COCC(F)(F)F)NCc1cc(F)c(N(C)C)cc1F ZINC000858118415 1328687633 /nfs/dbraw/zinc/68/76/33/1328687633.db2.gz ZPEXRFURYQPPDB-VIFPVBQESA-N 0 3 326.309 3.088 20 10 EGCDHN CN(C)C[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(F)cc1 ZINC000808426142 1317675409 /nfs/dbraw/zinc/67/54/09/1317675409.db2.gz PPCJWNXSDDNXBT-SFHVURJKSA-N 0 3 333.426 3.423 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC[C@H](O)C2CC2)c1[O-] ZINC000903407865 1317697499 /nfs/dbraw/zinc/69/74/99/1317697499.db2.gz QUEPJWLAUNESFK-YGRLFVJLSA-N 0 3 328.250 3.275 20 10 EGCDHN CCN1CCC[C@@H](N[C@H](C)c2ccc(N3CCCCC3)cc2)C1=O ZINC000903393163 1317695693 /nfs/dbraw/zinc/69/56/93/1317695693.db2.gz HWDVSTOFEXBWKN-VQIMIIECSA-N 0 3 329.488 3.338 20 10 EGCDHN Cc1nc([C@H](C)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cs1 ZINC000903449653 1317702406 /nfs/dbraw/zinc/70/24/06/1317702406.db2.gz ZAIDLLBOTPIAHF-SCLBCKFNSA-N 0 3 332.517 3.471 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+](CC2CCC2)[C@@H](C)CO)c1[O-] ZINC000809664417 1317859592 /nfs/dbraw/zinc/85/95/92/1317859592.db2.gz FJGYIVJMXOSBPI-LBPRGKRZSA-N 0 3 342.277 3.446 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+](CC2CCC2)[C@@H](C)CO)c1[O-] ZINC000809664417 1317859599 /nfs/dbraw/zinc/85/95/99/1317859599.db2.gz FJGYIVJMXOSBPI-LBPRGKRZSA-N 0 3 342.277 3.446 20 10 EGCDHN CN(C)c1ccc(CNC(=O)CN[C@H](c2cccs2)C2CC2)cc1 ZINC000809931264 1317919104 /nfs/dbraw/zinc/91/91/04/1317919104.db2.gz CCVJJMRWDABHEA-IBGZPJMESA-N 0 3 343.496 3.171 20 10 EGCDHN CCCN(CC)C[C@H](C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000810180610 1317970376 /nfs/dbraw/zinc/97/03/76/1317970376.db2.gz DGZBHRYVLBSHSS-LBPRGKRZSA-N 0 3 329.282 3.365 20 10 EGCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000811512542 1318190541 /nfs/dbraw/zinc/19/05/41/1318190541.db2.gz NZGZGERLPAOFGD-HXUWFJFHSA-N 0 3 325.408 3.371 20 10 EGCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000811512542 1318190549 /nfs/dbraw/zinc/19/05/49/1318190549.db2.gz NZGZGERLPAOFGD-HXUWFJFHSA-N 0 3 325.408 3.371 20 10 EGCDHN O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cc([O-])cs1 ZINC000812369942 1318378379 /nfs/dbraw/zinc/37/83/79/1318378379.db2.gz SVPVHKRTXGVZGH-INIZCTEOSA-N 0 3 344.480 3.486 20 10 EGCDHN O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cc([O-])cs1 ZINC000812369942 1318378388 /nfs/dbraw/zinc/37/83/88/1318378388.db2.gz SVPVHKRTXGVZGH-INIZCTEOSA-N 0 3 344.480 3.486 20 10 EGCDHN CC[C@@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2F)C1)c1ccccc1[O-] ZINC000812739979 1318446794 /nfs/dbraw/zinc/44/67/94/1318446794.db2.gz JTPPAAJMXNBDTG-CZUORRHYSA-N 0 3 328.387 3.378 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN2CC(F)F)c2c1c(F)ccc2[O-] ZINC000858478888 1328774467 /nfs/dbraw/zinc/77/44/67/1328774467.db2.gz DDVLYSRKUZEQLO-NQBHXWOUSA-N 0 3 328.378 3.399 20 10 EGCDHN CON(C)C(=O)[C@H](C)N[C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000858581641 1328798526 /nfs/dbraw/zinc/79/85/26/1328798526.db2.gz HMJAIDCNYBYQTQ-CVEARBPZSA-N 0 3 333.476 3.126 20 10 EGCDHN COc1cc(C)cc(CN(C)Cc2ccc3c(c2)OCCO3)c1O ZINC000915831916 1319545242 /nfs/dbraw/zinc/54/52/42/1319545242.db2.gz APMRFLOGUYVDKM-UHFFFAOYSA-N 0 3 329.396 3.112 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)[C@@H](C)O1 ZINC000823854997 1320211711 /nfs/dbraw/zinc/21/17/11/1320211711.db2.gz ASTLBQRHRBGCRG-KFZJALRRSA-N 0 3 338.879 3.166 20 10 EGCDHN COc1ccc(C[NH2+]Cc2ccc3c(c2)OCCCCO3)c([O-])c1 ZINC000824320850 1320247869 /nfs/dbraw/zinc/24/78/69/1320247869.db2.gz LJYBPAIYLPNNCZ-UHFFFAOYSA-N 0 3 329.396 3.242 20 10 EGCDHN CO[C@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000824815184 1320288223 /nfs/dbraw/zinc/28/82/23/1320288223.db2.gz JJPQIBGJLZCLGP-BEFAXECRSA-N 0 3 347.459 3.442 20 10 EGCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000824861067 1320291638 /nfs/dbraw/zinc/29/16/38/1320291638.db2.gz GMGRLZRCBSHJMM-HNNXBMFYSA-N 0 3 345.292 3.253 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+]C[C@H]2CCCC[C@@H]2O)c1[O-] ZINC000825035706 1320305453 /nfs/dbraw/zinc/30/54/53/1320305453.db2.gz PYAQMWDUVCZTRE-RISCZKNCSA-N 0 3 328.250 3.104 20 10 EGCDHN CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2[O-])[C@@H]1n1cccn1 ZINC000825118172 1320313164 /nfs/dbraw/zinc/31/31/64/1320313164.db2.gz PZWBWROLQFCFJD-UAGQMJEPSA-N 0 3 333.407 3.015 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]CC(C)(C)C2(O)CCCC2)c1[O-] ZINC000825240467 1320320200 /nfs/dbraw/zinc/32/02/00/1320320200.db2.gz LZEADZXZMKMBAM-UHFFFAOYSA-N 0 3 327.852 3.475 20 10 EGCDHN COc1cc(CN2CCC(F)(F)[C@H](CO)C2)c(O)c(C(C)(C)C)c1 ZINC000825956207 1320374716 /nfs/dbraw/zinc/37/47/16/1320374716.db2.gz ZIRNJSHQXPSPBO-ZDUSSCGKSA-N 0 3 343.414 3.148 20 10 EGCDHN Cc1ccccc1CNCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146629 1320880112 /nfs/dbraw/zinc/88/01/12/1320880112.db2.gz OWJACTLONJMAEL-UHFFFAOYSA-N 0 3 332.394 3.400 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCC(=O)N2CCC[C@H]3CCCC[C@@H]32)c1 ZINC000839539392 1320934659 /nfs/dbraw/zinc/93/46/59/1320934659.db2.gz MLMZZUXVFVOEHW-DAYGRLMNSA-N 0 3 346.471 3.233 20 10 EGCDHN Cc1cc(N(C)C)ccc1CN1CCN(c2ccc(O)cc2)CC1 ZINC000840908605 1321175510 /nfs/dbraw/zinc/17/55/10/1321175510.db2.gz USIAXUMFRXSMGI-UHFFFAOYSA-N 0 3 325.456 3.089 20 10 EGCDHN COc1cc(Br)cc(C[NH2+]C[C@@H]2C[C@H](C)O[C@@H]2C)c1[O-] ZINC000840964852 1321189261 /nfs/dbraw/zinc/18/92/61/1321189261.db2.gz WDUXAYKBAZJDOF-AXFHLTTASA-N 0 3 344.249 3.066 20 10 EGCDHN COCCCN1CCC([NH2+][C@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000841746108 1321305263 /nfs/dbraw/zinc/30/52/63/1321305263.db2.gz CHNJHSOPGBNLRG-CYBMUJFWSA-N 0 3 326.868 3.197 20 10 EGCDHN C[C@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1ccc(Cl)cc1[O-] ZINC000841751269 1321306766 /nfs/dbraw/zinc/30/67/66/1321306766.db2.gz HAFZDWKJOHJUID-KBPBESRZSA-N 0 3 326.868 3.197 20 10 EGCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCCC[C@H]2OC)c1[O-] ZINC000846056368 1321765091 /nfs/dbraw/zinc/76/50/91/1321765091.db2.gz NLUSGZVLCOVZRJ-CHWSQXEVSA-N 0 3 344.249 3.211 20 10 EGCDHN Cc1ncncc1[C@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000848527129 1321969434 /nfs/dbraw/zinc/96/94/34/1321969434.db2.gz SLKUBLKEXZCVDE-HOCLYGCPSA-N 0 3 326.444 3.033 20 10 EGCDHN CCOc1ccc(O)c(CN[C@H](COC)c2cccc(OC)c2)c1 ZINC000850362191 1322234199 /nfs/dbraw/zinc/23/41/99/1322234199.db2.gz JIITUNQQEFIUKS-GOSISDBHSA-N 0 3 331.412 3.277 20 10 EGCDHN COc1cc(C)ccc1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000850406763 1322241045 /nfs/dbraw/zinc/24/10/45/1322241045.db2.gz SNMRLASUKGIIHY-UHFFFAOYSA-N 0 3 340.467 3.255 20 10 EGCDHN CCOc1cccc(CNCc2cccc3c2OC(F)(F)O3)c1O ZINC000850412599 1322241361 /nfs/dbraw/zinc/24/13/61/1322241361.db2.gz HBJDNXUKBFOEOW-UHFFFAOYSA-N 0 3 337.322 3.402 20 10 EGCDHN c1cc2n(n1)CCC[C@@H]2NCc1ccc(N2CCSCC2)cc1 ZINC000850425747 1322246047 /nfs/dbraw/zinc/24/60/47/1322246047.db2.gz XBCKBNOXGUQVKF-KRWDZBQOSA-N 0 3 328.485 3.061 20 10 EGCDHN Cc1nccn1-c1ccc(CNCc2ccc3c(c2)CCCO3)cn1 ZINC000921564807 1322353716 /nfs/dbraw/zinc/35/37/16/1322353716.db2.gz VQFZOJSSMZLKSH-UHFFFAOYSA-N 0 3 334.423 3.191 20 10 EGCDHN C[C@H](NCc1cnn(C2CCC2)c1)c1ccc(N2CCOCC2)cc1 ZINC000921593068 1322360186 /nfs/dbraw/zinc/36/01/86/1322360186.db2.gz PUESKFQWYIASHY-INIZCTEOSA-N 0 3 340.471 3.296 20 10 EGCDHN c1ccc(N2CCOCC2)c(CNCc2ccc3c(c2)CCCO3)c1 ZINC000921609320 1322363249 /nfs/dbraw/zinc/36/32/49/1322363249.db2.gz ZNLFZPPIBQWYLQ-UHFFFAOYSA-N 0 3 338.451 3.138 20 10 EGCDHN c1ccc(CN2CCc3cc(CNCC4OCCCO4)ccc32)cc1 ZINC000922280975 1322492059 /nfs/dbraw/zinc/49/20/59/1322492059.db2.gz OZJAGHONFYJXID-UHFFFAOYSA-N 0 3 338.451 3.102 20 10 EGCDHN CCOc1ccc(O)c(CNCc2cnccc2C(F)(F)F)c1 ZINC000853094839 1323280483 /nfs/dbraw/zinc/28/04/83/1323280483.db2.gz AZFBWJRGYOHXCH-UHFFFAOYSA-N 0 3 326.318 3.495 20 10 EGCDHN C[C@@H]([NH2+]CC1(N)CCCC1)c1cc(Br)c(F)cc1[O-] ZINC000854222811 1325230575 /nfs/dbraw/zinc/23/05/75/1325230575.db2.gz KYSBXZLLMZYHSL-SECBINFHSA-N 0 3 331.229 3.216 20 10 EGCDHN C[C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H](C)C1(F)F ZINC000862442274 1329487733 /nfs/dbraw/zinc/48/77/33/1329487733.db2.gz HIWGYBOOGONRPY-ZIAGYGMSSA-N 0 3 342.405 3.385 20 10 EGCDHN CC(C)(C)OC(=O)N[C@H](C[NH2+]Cc1ccccc1[O-])CC(F)F ZINC000865442836 1329697889 /nfs/dbraw/zinc/69/78/89/1329697889.db2.gz UNJZETUGGXKBDS-LBPRGKRZSA-N 0 3 330.375 3.030 20 10 EGCDHN COc1ccc(N2CCN(CCCc3ccccc3)CC2)c(OC)c1 ZINC001201671711 1369602997 /nfs/dbraw/zinc/60/29/97/1369602997.db2.gz MBZSEDWIMKOEIV-UHFFFAOYSA-N 0 3 340.467 3.459 20 10 EGCDHN [O-]c1ccccc1C[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC001203551708 1370166752 /nfs/dbraw/zinc/16/67/52/1370166752.db2.gz LFBBRTVIQWBULN-UHFFFAOYSA-N 0 3 347.256 3.477 20 10 EGCDHN CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001203562002 1370170472 /nfs/dbraw/zinc/17/04/72/1370170472.db2.gz APJWJYZDNCLPLR-HXUWFJFHSA-N 0 3 340.467 3.115 20 10 EGCDHN CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001203562002 1370170477 /nfs/dbraw/zinc/17/04/77/1370170477.db2.gz APJWJYZDNCLPLR-HXUWFJFHSA-N 0 3 340.467 3.115 20 10 EGCDHN COc1ccc(N2CCN(Cc3cccc(OC)c3O)CC2)c(C)c1 ZINC001203601563 1370184052 /nfs/dbraw/zinc/18/40/52/1370184052.db2.gz AHVDCDPMBQBIRZ-UHFFFAOYSA-N 0 3 342.439 3.040 20 10 EGCDHN COc1cccc(O[C@@H]2CCC[N@H+](Cc3ccc(O)cc3[O-])C2)c1 ZINC001204275488 1370428966 /nfs/dbraw/zinc/42/89/66/1370428966.db2.gz SQYQCOKIEHRVGD-GOSISDBHSA-N 0 3 329.396 3.150 20 10 EGCDHN COc1cccc(O[C@@H]2CCC[N@@H+](Cc3ccc(O)cc3[O-])C2)c1 ZINC001204275488 1370428969 /nfs/dbraw/zinc/42/89/69/1370428969.db2.gz SQYQCOKIEHRVGD-GOSISDBHSA-N 0 3 329.396 3.150 20 10 EGCDHN CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(O)cc1[O-] ZINC001204276841 1370429289 /nfs/dbraw/zinc/42/92/89/1370429289.db2.gz SGIMIMNLANAQME-CABCVRRESA-N 0 3 348.443 3.072 20 10 EGCDHN CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(O)cc1[O-] ZINC001204276841 1370429293 /nfs/dbraw/zinc/42/92/93/1370429293.db2.gz SGIMIMNLANAQME-CABCVRRESA-N 0 3 348.443 3.072 20 10 EGCDHN Oc1ccc(CN2CC3(CC(OCc4ccccc4)C3)C2)c(O)c1 ZINC001204279960 1370429862 /nfs/dbraw/zinc/42/98/62/1370429862.db2.gz GMQAADWTZOJKFL-UHFFFAOYSA-N 0 3 325.408 3.279 20 10 EGCDHN C[C@H]1C[C@@H]([NH2+]CCC(=O)N2CCC[C@@H](C)C2)c2c1c(F)ccc2[O-] ZINC001116589333 1370941949 /nfs/dbraw/zinc/94/19/49/1370941949.db2.gz UHBZUQWJZMIPDK-VNHYZAJKSA-N 0 3 334.435 3.318 20 10 EGCDHN C/C(=C/C(=O)N(CCN1CCCC1)c1ccccc1)c1cnccn1 ZINC001117751760 1371074861 /nfs/dbraw/zinc/07/48/61/1371074861.db2.gz ANAZVRGTJXRPMZ-ICFOKQHNSA-N 0 3 336.439 3.009 20 10 EGCDHN COc1ccc(N2CCN(CCCC(C)(C)OC(C)=O)CC2)c(C)c1 ZINC001209159316 1372019001 /nfs/dbraw/zinc/01/90/01/1372019001.db2.gz QLRFUPAKJKLSEG-UHFFFAOYSA-N 0 3 348.487 3.248 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@@](C)(O)[C@@H](C)C2)c1[O-] ZINC001233106778 1376570195 /nfs/dbraw/zinc/57/01/95/1376570195.db2.gz NPCPSNPYOXBHCJ-BLLLJJGKSA-N 0 3 342.277 3.446 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@@](C)(O)[C@@H](C)C2)c1[O-] ZINC001233106778 1376570201 /nfs/dbraw/zinc/57/02/01/1376570201.db2.gz NPCPSNPYOXBHCJ-BLLLJJGKSA-N 0 3 342.277 3.446 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CCCC[C@@](C)(O)C2)c1[O-] ZINC001233106754 1376570460 /nfs/dbraw/zinc/57/04/60/1376570460.db2.gz MPMMMXQKPKFKIE-OAHLLOKOSA-N 0 3 328.250 3.200 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CCCC[C@@](C)(O)C2)c1[O-] ZINC001233106754 1376570462 /nfs/dbraw/zinc/57/04/62/1376570462.db2.gz MPMMMXQKPKFKIE-OAHLLOKOSA-N 0 3 328.250 3.200 20 10 EGCDHN [O-]c1ccc2cc(Br)ccc2c1C[NH+]1CC2(CC(O)C2)C1 ZINC001233194410 1376583668 /nfs/dbraw/zinc/58/36/68/1376583668.db2.gz SCXIJHDVWOVCPO-UHFFFAOYSA-N 0 3 348.240 3.265 20 10 EGCDHN COc1cc(Cl)cc(CN2CCC[C@H](Oc3ccncc3)C2)c1O ZINC001233291096 1376605621 /nfs/dbraw/zinc/60/56/21/1376605621.db2.gz LXAXZXQMFDUAAT-INIZCTEOSA-N 0 3 348.830 3.493 20 10 EGCDHN Oc1ccc(F)c(F)c1CN1CCN(C2(c3ccccc3)CC2)CC1 ZINC001233335985 1376619944 /nfs/dbraw/zinc/61/99/44/1376619944.db2.gz TZIAVCXDKFKWNY-UHFFFAOYSA-N 0 3 344.405 3.477 20 10 EGCDHN Oc1cc(O)c(CN2CCC(OCc3ccc(F)cc3)CC2)cc1O ZINC001233485064 1376653342 /nfs/dbraw/zinc/65/33/42/1376653342.db2.gz HRIGBVXGZWFXPZ-UHFFFAOYSA-N 0 3 347.386 3.124 20 10 EGCDHN Cc1cc([O-])c(CN(C2CC2)[C@@H]2CCC[NH2+]C2)cc1Br ZINC001236240381 1376944705 /nfs/dbraw/zinc/94/47/05/1376944705.db2.gz LCBHALHXLLBOBR-CQSZACIVSA-N 0 3 339.277 3.180 20 10 EGCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1Br ZINC001237676236 1376983320 /nfs/dbraw/zinc/98/33/20/1376983320.db2.gz HHIIGGQZMJDWHD-WBMJQRKESA-N 0 3 340.261 3.464 20 10 EGCDHN Cc1cc([O-])c(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1Br ZINC001237676236 1376983329 /nfs/dbraw/zinc/98/33/29/1376983329.db2.gz HHIIGGQZMJDWHD-WBMJQRKESA-N 0 3 340.261 3.464 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC[C@](F)(CO)CC2)c(OC)c1 ZINC001138386680 1377714167 /nfs/dbraw/zinc/71/41/67/1377714167.db2.gz SPGYIQJNYPNTLK-LJQANCHMSA-N 0 3 338.467 3.228 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC[C@@H](C(=O)OC)[C@@H]2C)c(OC)c1 ZINC001138390250 1377714406 /nfs/dbraw/zinc/71/44/06/1377714406.db2.gz QSBYVIBETGASDN-MAUKXSAKSA-N 0 3 348.487 3.315 20 10 EGCDHN Cc1cc(CN2CCC3(CCN(C(C)C)C3=O)CC2)ccc1N(C)C ZINC001139674217 1377931469 /nfs/dbraw/zinc/93/14/69/1377931469.db2.gz PLNMODCSXFYWGX-UHFFFAOYSA-N 0 3 343.515 3.284 20 10 EGCDHN Cc1cnc(O[C@H]2CCCN(Cc3ccc(N(C)C)c(C)c3)C2)nc1 ZINC001139673503 1377931789 /nfs/dbraw/zinc/93/17/89/1377931789.db2.gz DEDNQINMVTYTRU-SFHVURJKSA-N 0 3 340.471 3.203 20 10 EGCDHN O=C1Cc2ccccc2N1C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC001140055171 1377996832 /nfs/dbraw/zinc/99/68/32/1377996832.db2.gz AACUEORLFYZVRH-UHFFFAOYSA-N 0 3 340.398 3.085 20 10 EGCDHN COc1ccccc1CN1CCN(Cc2c(C)ccc(C)c2O)CC1 ZINC001140180572 1378027018 /nfs/dbraw/zinc/02/70/18/1378027018.db2.gz ZELZALUCNFPXBD-UHFFFAOYSA-N 0 3 340.467 3.335 20 10 EGCDHN CCN(Cc1ccc(N2CCN(CC)CC2)cc1)CC(F)(F)F ZINC001140306027 1378044020 /nfs/dbraw/zinc/04/40/20/1378044020.db2.gz LBIKBTCJTVOUAV-UHFFFAOYSA-N 0 3 329.410 3.213 20 10 EGCDHN [O-]c1cc(Cl)ccc1C[N@@H+]1CCCN(Cc2ccncc2)CC1 ZINC001140461175 1378066061 /nfs/dbraw/zinc/06/60/61/1378066061.db2.gz GECDMEKMPOASDT-UHFFFAOYSA-N 0 3 331.847 3.149 20 10 EGCDHN [O-]c1cc(Cl)ccc1C[N@H+]1CCCN(Cc2ccncc2)CC1 ZINC001140461175 1378066062 /nfs/dbraw/zinc/06/60/62/1378066062.db2.gz GECDMEKMPOASDT-UHFFFAOYSA-N 0 3 331.847 3.149 20 10 EGCDHN CCCCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001273284427 1378094692 /nfs/dbraw/zinc/09/46/92/1378094692.db2.gz IELVEVTVVSSORP-MRXNPFEDSA-N 0 3 334.435 3.050 20 10 EGCDHN Cc1ccc(O)c(CN2CCCn3cnc(Cn4cccc4)c3C2)c1 ZINC001140620684 1378099538 /nfs/dbraw/zinc/09/95/38/1378099538.db2.gz XYNAMMZBYNLSQO-UHFFFAOYSA-N 0 3 336.439 3.153 20 10 EGCDHN CC(C)N1CCCC[C@@]12CC(=O)N(Cc1ccc(N(C)C)cc1)C2 ZINC001273925258 1378113083 /nfs/dbraw/zinc/11/30/83/1378113083.db2.gz QEKYXVZUPWHVPC-FQEVSTJZSA-N 0 3 329.488 3.118 20 10 EGCDHN Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3NC(=O)OC(C)(C)C)c([O-])c1 ZINC001140947885 1378188525 /nfs/dbraw/zinc/18/85/25/1378188525.db2.gz JJVJPGJDYUQAHX-JYJNAYRXSA-N 0 3 332.444 3.188 20 10 EGCDHN Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3NC(=O)OC(C)(C)C)c([O-])c1 ZINC001140947885 1378188528 /nfs/dbraw/zinc/18/85/28/1378188528.db2.gz JJVJPGJDYUQAHX-JYJNAYRXSA-N 0 3 332.444 3.188 20 10 EGCDHN Cc1ccc(CN2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)c(O)c1 ZINC001140950284 1378189965 /nfs/dbraw/zinc/18/99/65/1378189965.db2.gz PPRVDEUORHFKIC-MRXNPFEDSA-N 0 3 342.487 3.314 20 10 EGCDHN CCOC(=O)CCN(Cc1ccccc1)Cc1cc(O)ccc1O ZINC001141157206 1378253252 /nfs/dbraw/zinc/25/32/52/1378253252.db2.gz CXLQZAOTQRCYAE-UHFFFAOYSA-N 0 3 329.396 3.053 20 10 EGCDHN O=C(CC[NH+]1CCCCC1)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001142923403 1378509971 /nfs/dbraw/zinc/50/99/71/1378509971.db2.gz WXTLFNZDXZVRLH-UHFFFAOYSA-N 0 3 347.846 3.086 20 10 EGCDHN CCC[C@@H](C(=O)c1ccccc1)N(C)Cc1c(O)cc(O)cc1O ZINC001144516467 1378739757 /nfs/dbraw/zinc/73/97/57/1378739757.db2.gz ZBKQJEBHZSIXCN-INIZCTEOSA-N 0 3 329.396 3.287 20 10 EGCDHN CN1CCN(c2ccc(CNc3cc(OC(F)F)ccn3)cc2)CC1 ZINC001167437157 1383633449 /nfs/dbraw/zinc/63/34/49/1383633449.db2.gz NKPUWQQRBCPYBQ-UHFFFAOYSA-N 0 3 348.397 3.047 20 10 EGCDHN C[C@H]1CCCCN1c1cccc(NCCc2cc(O)c(O)cc2O)n1 ZINC001168008617 1383795758 /nfs/dbraw/zinc/79/57/58/1383795758.db2.gz CGHPTYXWRQDJOV-ZDUSSCGKSA-N 0 3 343.427 3.232 20 10 EGCDHN C[C@H]1C[C@@H]([N@@H+]2CCc3cccc([O-])c3C2)CN1C(=O)OC(C)(C)C ZINC001168872650 1384041972 /nfs/dbraw/zinc/04/19/72/1384041972.db2.gz NXGOJEXWRBUXAA-DZGCQCFKSA-N 0 3 332.444 3.148 20 10 EGCDHN C[C@H]1C[C@@H]([N@H+]2CCc3cccc([O-])c3C2)CN1C(=O)OC(C)(C)C ZINC001168872650 1384041975 /nfs/dbraw/zinc/04/19/75/1384041975.db2.gz NXGOJEXWRBUXAA-DZGCQCFKSA-N 0 3 332.444 3.148 20 10 EGCDHN O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccc(O)cc1[O-])CC2 ZINC001172912303 1384875914 /nfs/dbraw/zinc/87/59/14/1384875914.db2.gz NBYJWKJSMZMGSU-HNNXBMFYSA-N 0 3 328.368 3.043 20 10 EGCDHN COC(=O)N1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC001320493652 1386626000 /nfs/dbraw/zinc/62/60/00/1386626000.db2.gz DGWUNCBEKDZHIA-UHFFFAOYSA-N 0 3 340.423 3.333 20 10 EGCDHN COC(=O)N1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC001320493652 1386626006 /nfs/dbraw/zinc/62/60/06/1386626006.db2.gz DGWUNCBEKDZHIA-UHFFFAOYSA-N 0 3 340.423 3.333 20 10 EGCDHN C[C@@H]1OCC[C@]12CN(Cc1ccc(N3CCCC3)cc1)C[C@@H](C)O2 ZINC001322333449 1387161245 /nfs/dbraw/zinc/16/12/45/1387161245.db2.gz HYTOPSKZRYHUBJ-UWVAXJGDSA-N 0 3 330.472 3.055 20 10 EGCDHN O=C1[C@H](NCc2ccc(N3CCCC3)cc2)CCN1C1CCCCC1 ZINC001350427834 1391463140 /nfs/dbraw/zinc/46/31/40/1391463140.db2.gz BZDGURHHFJFRSD-HXUWFJFHSA-N 0 3 341.499 3.310 20 10 EGCDHN COc1ccc(CNC/C=C\CNC(=O)C2(C)CC=CC2)cc1C ZINC001754166190 1440546572 /nfs/dbraw/zinc/54/65/72/1440546572.db2.gz GWJDDUULUMEMBO-SREVYHEPSA-N 0 3 328.456 3.122 20 10 EGCDHN COc1cc(C)c(CN(C)Cc2cc3c(cc2O)OCO3)cc1OC ZINC000008104062 453161041 /nfs/dbraw/zinc/16/10/41/453161041.db2.gz HMPFNHFXWRQTIT-UHFFFAOYSA-N 0 3 345.395 3.079 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1)OCO2 ZINC000091891479 454484712 /nfs/dbraw/zinc/48/47/12/454484712.db2.gz MBQVIYZICUHCSU-DZGCQCFKSA-N 0 3 347.436 3.271 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1cccs1)OCO2 ZINC000091891479 454484716 /nfs/dbraw/zinc/48/47/16/454484716.db2.gz MBQVIYZICUHCSU-DZGCQCFKSA-N 0 3 347.436 3.271 20 10 EGCDHN CCN(CC)C(=O)C1([NH2+]Cc2cccc(OC)c2[O-])CCCCC1 ZINC000123602929 454656085 /nfs/dbraw/zinc/65/60/85/454656085.db2.gz DPDZZNMZEXZWGD-UHFFFAOYSA-N 0 3 334.460 3.062 20 10 EGCDHN CCN(CC)C(=O)C1(NCc2cccc(OC)c2O)CCCCC1 ZINC000123602929 454656091 /nfs/dbraw/zinc/65/60/91/454656091.db2.gz DPDZZNMZEXZWGD-UHFFFAOYSA-N 0 3 334.460 3.062 20 10 EGCDHN C[C@H](NCc1ccc(CS(C)(=O)=O)cc1)c1ccc(N(C)C)cc1 ZINC000125710897 454841160 /nfs/dbraw/zinc/84/11/60/454841160.db2.gz ZNFFBIKBAXLWKT-HNNXBMFYSA-N 0 3 346.496 3.148 20 10 EGCDHN Cc1nc2c(s1)[C@@H](N(C)Cc1cc3c(cc1O)OCO3)CCC2 ZINC000111173224 454858113 /nfs/dbraw/zinc/85/81/13/454858113.db2.gz IOSQAHGQGKXIIP-ZDUSSCGKSA-N 0 3 332.425 3.395 20 10 EGCDHN C[C@@H](C(=O)NCc1ccc2c(c1)CCCN2C)[C@@H](N)c1ccccc1 ZINC000166475472 454912522 /nfs/dbraw/zinc/91/25/22/454912522.db2.gz JZSURTAPMDFROE-FOIQADDNSA-N 0 3 337.467 3.021 20 10 EGCDHN COc1ccc(O)c([C@@H](C)N[C@@H]2CCN(c3ccc(C)cc3)C2=O)c1 ZINC000182323882 455489121 /nfs/dbraw/zinc/48/91/21/455489121.db2.gz AAUWARXJKQWTGW-RDTXWAMCSA-N 0 3 340.423 3.165 20 10 EGCDHN COc1ccc(C(=O)C2CC[NH+](Cc3ccccc3[O-])CC2)cc1 ZINC000179558389 455058069 /nfs/dbraw/zinc/05/80/69/455058069.db2.gz WHBZWRLBFFBEOE-UHFFFAOYSA-N 0 3 325.408 3.496 20 10 EGCDHN Cc1cccc(CN2CCCN(C(=O)c3ccc(F)cc3)CC2)c1O ZINC000179674322 455065791 /nfs/dbraw/zinc/06/57/91/455065791.db2.gz LAJUYUHZCPNLFE-UHFFFAOYSA-N 0 3 342.414 3.188 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC(CC(=O)N(C)C)CC2)cc1 ZINC000180328922 455158421 /nfs/dbraw/zinc/15/84/21/455158421.db2.gz GCKMNIBLTBMOJE-UHFFFAOYSA-N 0 3 331.504 3.223 20 10 EGCDHN COc1cccc(CNCc2c(C)nn(-c3ccccc3)c2C)c1O ZINC000237391357 455181208 /nfs/dbraw/zinc/18/12/08/455181208.db2.gz JBJHMKFAKOFDMK-UHFFFAOYSA-N 0 3 337.423 3.493 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCC[C@H]2CCO)c1[O-] ZINC000190306390 455296165 /nfs/dbraw/zinc/29/61/65/455296165.db2.gz KPPFSEILTOTLGE-FZMZJTMJSA-N 0 3 328.250 3.104 20 10 EGCDHN COc1ccc(CC[NH2+][C@@H](C)c2ccccc2[O-])c(OC)c1OC ZINC000183487220 455298685 /nfs/dbraw/zinc/29/86/85/455298685.db2.gz PZBVTNUHNLZKHL-ZDUSSCGKSA-N 0 3 331.412 3.311 20 10 EGCDHN COc1cccc(CNC2(c3cccc(F)c3)CCOCC2)c1O ZINC000174648276 455408810 /nfs/dbraw/zinc/40/88/10/455408810.db2.gz GFHRAXVYPJGOMF-UHFFFAOYSA-N 0 3 331.387 3.335 20 10 EGCDHN COc1cccc(C[NH2+]C2(c3cccc(F)c3)CCOCC2)c1[O-] ZINC000174648276 455408811 /nfs/dbraw/zinc/40/88/11/455408811.db2.gz GFHRAXVYPJGOMF-UHFFFAOYSA-N 0 3 331.387 3.335 20 10 EGCDHN CN(CCc1nc(-c2ccccc2)no1)Cc1ccc(N(C)C)cc1 ZINC000265948060 455412348 /nfs/dbraw/zinc/41/23/48/455412348.db2.gz SSIUUXQDYJWSKS-UHFFFAOYSA-N 0 3 336.439 3.477 20 10 EGCDHN CO[C@H](C[NH2+]Cc1cc2c(cc1[O-])OCO2)c1ccc(Cl)cc1 ZINC000266156599 455424029 /nfs/dbraw/zinc/42/40/29/455424029.db2.gz MAKSETDHZSWINS-QGZVFWFLSA-N 0 3 335.787 3.252 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c1[O-] ZINC000184710104 455434067 /nfs/dbraw/zinc/43/40/67/455434067.db2.gz PEWLMCBDRSTFMU-XJKSGUPXSA-N 0 3 343.876 3.199 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCO[C@H](C)C3)nc2)c([O-])c1 ZINC000185033481 455488891 /nfs/dbraw/zinc/48/88/91/455488891.db2.gz LMZBYKROWQCWHM-HZPDHXFCSA-N 0 3 341.455 3.172 20 10 EGCDHN CCCNC(=O)c1cccc(CN[C@@H](C)c2cc(OC)ccc2O)c1 ZINC000185048408 455492278 /nfs/dbraw/zinc/49/22/78/455492278.db2.gz CSQJJQHABQCIGQ-AWEZNQCLSA-N 0 3 342.439 3.391 20 10 EGCDHN CC(=O)c1cc(F)cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1[O-] ZINC000246509211 455504110 /nfs/dbraw/zinc/50/41/10/455504110.db2.gz IBZPWEMWGOSHGS-IFXJQAMLSA-N 0 3 346.446 3.183 20 10 EGCDHN CC(=O)c1cc(F)cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1[O-] ZINC000246509211 455504114 /nfs/dbraw/zinc/50/41/14/455504114.db2.gz IBZPWEMWGOSHGS-IFXJQAMLSA-N 0 3 346.446 3.183 20 10 EGCDHN C[C@@H]([NH2+]CC1(N(C)C)CCOCC1)c1cc2c(cc1[O-])CCCC2 ZINC000185449989 455559423 /nfs/dbraw/zinc/55/94/23/455559423.db2.gz IBQXUJNJEKRPAT-OAHLLOKOSA-N 0 3 332.488 3.032 20 10 EGCDHN COc1cc(O)c(CN2CC[C@H](Oc3cccc(F)c3)C2)cc1OC ZINC000182783470 455586115 /nfs/dbraw/zinc/58/61/15/455586115.db2.gz LACDXWGBCWGZIM-INIZCTEOSA-N 0 3 347.386 3.202 20 10 EGCDHN CCS(=O)(=O)c1ccc([C@@H](C)NCc2cc(C)ccc2O)cc1 ZINC000283916181 455612353 /nfs/dbraw/zinc/61/23/53/455612353.db2.gz INIXUMNBHKTITC-CQSZACIVSA-N 0 3 333.453 3.345 20 10 EGCDHN CC(=O)Nc1cccc(OCC[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000185966970 455664367 /nfs/dbraw/zinc/66/43/67/455664367.db2.gz KMSWWPKFMXAKIB-LBPRGKRZSA-N 0 3 332.375 3.219 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000185979823 455667847 /nfs/dbraw/zinc/66/78/47/455667847.db2.gz KPCKOUMHRHVABJ-QWHCGFSZSA-N 0 3 338.448 3.355 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]CC2(N3CCCCC3)CCOCC2)c([O-])c1 ZINC000186019411 455676539 /nfs/dbraw/zinc/67/65/39/455676539.db2.gz NUABLCHOETTYIA-KRWDZBQOSA-N 0 3 332.488 3.386 20 10 EGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CC2(N3CCCCC3)CCOCC2)c1 ZINC000186019169 455676828 /nfs/dbraw/zinc/67/68/28/455676828.db2.gz SRRKCDCPGLFHKQ-QGZVFWFLSA-N 0 3 332.488 3.386 20 10 EGCDHN COc1cccc([C@H](C[NH2+][C@@H](C)c2cc(OC)ccc2[O-])N(C)C)c1 ZINC000192865495 455708246 /nfs/dbraw/zinc/70/82/46/455708246.db2.gz NIXNCWYHKCKCSL-LIRRHRJNSA-N 0 3 344.455 3.363 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C2CCC(O)(c3cccnc3)CC2)c1 ZINC000186358089 455750645 /nfs/dbraw/zinc/75/06/45/455750645.db2.gz SBTHEZJRSPVZAW-PCVOSPCESA-N 0 3 342.439 3.277 20 10 EGCDHN Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1[O-] ZINC000271841927 455784079 /nfs/dbraw/zinc/78/40/79/455784079.db2.gz QKZJUVZRFGPSED-HOCLYGCPSA-N 0 3 334.460 3.436 20 10 EGCDHN Cc1cccc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1[O-] ZINC000271841927 455784086 /nfs/dbraw/zinc/78/40/86/455784086.db2.gz QKZJUVZRFGPSED-HOCLYGCPSA-N 0 3 334.460 3.436 20 10 EGCDHN Cc1cc(C)c([C@H](C)NCCS(=O)(=O)c2ccccc2)c(O)c1 ZINC000293710452 455795176 /nfs/dbraw/zinc/79/51/76/455795176.db2.gz LWOKZONABGUANC-HNNXBMFYSA-N 0 3 333.453 3.134 20 10 EGCDHN COc1ccc(OC)c([C@H](O)C[NH2+][C@H](C)c2c(C)cc(C)cc2[O-])c1 ZINC000293932034 455800810 /nfs/dbraw/zinc/80/08/10/455800810.db2.gz XXUNQQMOBAYLOJ-RDTXWAMCSA-N 0 3 345.439 3.410 20 10 EGCDHN Cc1cc(CN(C)[C@H](CC(N)=O)c2ccccc2)ccc1N(C)C ZINC000294121786 455805758 /nfs/dbraw/zinc/80/57/58/455805758.db2.gz NLCXDOGTXZOBHV-LJQANCHMSA-N 0 3 325.456 3.110 20 10 EGCDHN COC[C@@]1(C)CC[N@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000294214037 455808608 /nfs/dbraw/zinc/80/86/08/455808608.db2.gz MVUQWOIWIFNGKS-HNNXBMFYSA-N 0 3 328.250 3.322 20 10 EGCDHN COC[C@@]1(C)CC[N@@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000294214037 455808613 /nfs/dbraw/zinc/80/86/13/455808613.db2.gz MVUQWOIWIFNGKS-HNNXBMFYSA-N 0 3 328.250 3.322 20 10 EGCDHN C[C@@H](C[S@](C)=O)NCc1ccc(N(C)Cc2cccs2)cc1 ZINC000294669653 455824082 /nfs/dbraw/zinc/82/40/82/455824082.db2.gz ALRIYKSXQDNYQC-FPTDNZKUSA-N 0 3 336.526 3.241 20 10 EGCDHN C=Cn1cc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cn1 ZINC000194344481 455831538 /nfs/dbraw/zinc/83/15/38/455831538.db2.gz HNJOMACNFQLAQT-HNNXBMFYSA-N 0 3 348.397 3.344 20 10 EGCDHN CCOc1ccc([O-])c(C[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)c1 ZINC000278782300 455848665 /nfs/dbraw/zinc/84/86/65/455848665.db2.gz PVJZUXRBBPKKOZ-QGZVFWFLSA-N 0 3 339.794 3.407 20 10 EGCDHN COc1cc(C[NH2+][C@H]2CCc3cccc([O-])c32)cc(OC)c1OC ZINC000296019819 455866757 /nfs/dbraw/zinc/86/67/57/455866757.db2.gz PIRMSXYGDNJKNF-AWEZNQCLSA-N 0 3 329.396 3.195 20 10 EGCDHN CC[C@@H]([NH2+]Cc1cccc(OCC(=O)OC)c1)c1ccc(C)cc1[O-] ZINC000280113373 455895001 /nfs/dbraw/zinc/89/50/01/455895001.db2.gz NTKQRHJDFMRACJ-GOSISDBHSA-N 0 3 343.423 3.493 20 10 EGCDHN C[C@@H](CC[S@](C)=O)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000280304042 455941270 /nfs/dbraw/zinc/94/12/70/455941270.db2.gz OHGDFQZMGYMMGO-SAHAZLINSA-N 0 3 336.423 3.018 20 10 EGCDHN CC[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(F)cc1[O-] ZINC000286328798 456025458 /nfs/dbraw/zinc/02/54/58/456025458.db2.gz XWKRFBBYGWGSIS-RDTXWAMCSA-N 0 3 336.451 3.073 20 10 EGCDHN O=C1C[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CN1c1c(F)cccc1F ZINC000296739574 456025789 /nfs/dbraw/zinc/02/57/89/456025789.db2.gz JGMATMRQLWGSNI-IUODEOHRSA-N 0 3 344.361 3.053 20 10 EGCDHN COC[C@H](NCc1ccc(N(C)C)cc1C(F)(F)F)[C@@H]1CCCO1 ZINC000280689194 456032369 /nfs/dbraw/zinc/03/23/69/456032369.db2.gz VPBDWRDFWFWMAF-HOTGVXAUSA-N 0 3 346.393 3.055 20 10 EGCDHN COc1cc(NCC[NH2+][C@@H]2CCc3cccc([O-])c32)cc(OC)c1 ZINC000296819024 456045823 /nfs/dbraw/zinc/04/58/23/456045823.db2.gz MCCLHZLYVPUBEU-QGZVFWFLSA-N 0 3 328.412 3.098 20 10 EGCDHN CN(C)c1ccc(CNCCNC(=O)C(C)(C)C)c(C(F)(F)F)c1 ZINC000280950464 456090948 /nfs/dbraw/zinc/09/09/48/456090948.db2.gz RNZFLJBYGKFMQP-UHFFFAOYSA-N 0 3 345.409 3.023 20 10 EGCDHN CC(C)N1CCC([N@H+](C)Cc2cc(Br)ccc2[O-])CC1 ZINC000271038459 456106042 /nfs/dbraw/zinc/10/60/42/456106042.db2.gz KUSOKZOXIDOPKF-UHFFFAOYSA-N 0 3 341.293 3.459 20 10 EGCDHN CC(C)N1CCC([N@@H+](C)Cc2cc(Br)ccc2[O-])CC1 ZINC000271038459 456106048 /nfs/dbraw/zinc/10/60/48/456106048.db2.gz KUSOKZOXIDOPKF-UHFFFAOYSA-N 0 3 341.293 3.459 20 10 EGCDHN C[C@H]([NH2+]Cc1cc(F)ccc1N1CCOCC1)c1ccccc1[O-] ZINC000272923123 456114307 /nfs/dbraw/zinc/11/43/07/456114307.db2.gz YIFWQAUDSHKAGD-AWEZNQCLSA-N 0 3 330.403 3.219 20 10 EGCDHN CCCCCC(=O)NC1CCN(Cc2cc(OCC)ccc2O)CC1 ZINC000271203036 456169908 /nfs/dbraw/zinc/16/99/08/456169908.db2.gz WZOWRJIMRKCJIK-UHFFFAOYSA-N 0 3 348.487 3.452 20 10 EGCDHN CCOc1ccc(O)c(CN2CCN(C(C)=O)C3(CCCCC3)C2)c1 ZINC000271286548 456205071 /nfs/dbraw/zinc/20/50/71/456205071.db2.gz QMSLXPUWIVENKG-UHFFFAOYSA-N 0 3 346.471 3.158 20 10 EGCDHN COC[C@]1(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])OCCc2ccccc21 ZINC000289982645 456205628 /nfs/dbraw/zinc/20/56/28/456205628.db2.gz XYUAIPVDMNPRAQ-KKSFZXQISA-N 0 3 341.451 3.466 20 10 EGCDHN Cc1ccc(CN2CC[C@@H]([NH2+][C@H](C)c3cc(F)ccc3[O-])C2=O)cc1 ZINC000189085392 456221378 /nfs/dbraw/zinc/22/13/78/456221378.db2.gz CFXCXVZTUOLNKB-RDTXWAMCSA-N 0 3 342.414 3.291 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(Cn3cncn3)cc2)c([O-])c1C ZINC000273380843 456227135 /nfs/dbraw/zinc/22/71/35/456227135.db2.gz IEADURGVIMABQR-MRXNPFEDSA-N 0 3 336.439 3.500 20 10 EGCDHN Cc1ccc([C@H](C)N[C@@H](C)C(=O)NCc2ccccc2)c(O)c1C ZINC000273430410 456229554 /nfs/dbraw/zinc/22/95/54/456229554.db2.gz VLPCJLKSNXBRTB-HOTGVXAUSA-N 0 3 326.440 3.365 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+][C@H](CO)C[C@@H](O)c2ccccc2)c([O-])c1C ZINC000273447859 456231421 /nfs/dbraw/zinc/23/14/21/456231421.db2.gz FNQMBDMBJPZNPJ-VDZJLULYSA-N 0 3 329.440 3.144 20 10 EGCDHN C[C@@H](NCCn1cc(Br)cn1)c1ccc(N(C)C)cc1 ZINC000275013309 456268382 /nfs/dbraw/zinc/26/83/82/456268382.db2.gz RUWHHUBVCCVUSJ-GFCCVEGCSA-N 0 3 337.265 3.062 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+](C)C2CCC(CO)CC2)c1[O-] ZINC000290291875 456280759 /nfs/dbraw/zinc/28/07/59/456280759.db2.gz AMIPVEUMFVZOTB-UHFFFAOYSA-N 0 3 342.277 3.446 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+](C)C2CCC(CO)CC2)c1[O-] ZINC000290291875 456280760 /nfs/dbraw/zinc/28/07/60/456280760.db2.gz AMIPVEUMFVZOTB-UHFFFAOYSA-N 0 3 342.277 3.446 20 10 EGCDHN C[C@H](NCC1([S@](C)=O)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000282150503 456427234 /nfs/dbraw/zinc/42/72/34/456427234.db2.gz CPVUNTSVOBQRFP-PSLXWICFSA-N 0 3 338.492 3.378 20 10 EGCDHN CCOc1cccc(CN[C@]2(CO)CCCc3ccccc32)c1O ZINC000282346758 456484295 /nfs/dbraw/zinc/48/42/95/456484295.db2.gz MNMBNJXZSITROF-FQEVSTJZSA-N 0 3 327.424 3.105 20 10 EGCDHN COc1cc([O-])c(C[NH2+]C[C@]2(C)OCCc3sccc32)cc1OC ZINC000291506129 456664083 /nfs/dbraw/zinc/66/40/83/456664083.db2.gz HTXAIMIHFCYSES-SFHVURJKSA-N 0 3 349.452 3.049 20 10 EGCDHN Cc1ccc([O-])c(C[NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)c1 ZINC000283057814 456701496 /nfs/dbraw/zinc/70/14/96/456701496.db2.gz SVNJJOGSKDWBCN-KRWDZBQOSA-N 0 3 325.412 3.097 20 10 EGCDHN COc1cccc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2C(C)C)c1[O-] ZINC000359869524 457136975 /nfs/dbraw/zinc/13/69/75/457136975.db2.gz IMOMUBRZBQHGET-MRXNPFEDSA-N 0 3 329.444 3.385 20 10 EGCDHN COc1cccc(C[N@H+]2CCC[C@@H]2Cn2ccnc2C(C)C)c1[O-] ZINC000359869524 457136981 /nfs/dbraw/zinc/13/69/81/457136981.db2.gz IMOMUBRZBQHGET-MRXNPFEDSA-N 0 3 329.444 3.385 20 10 EGCDHN COc1ccc(N2CCC(N[C@H](C)c3cn(C)nc3C)CC2)cc1 ZINC000366231022 457801917 /nfs/dbraw/zinc/80/19/17/457801917.db2.gz FBMLXRKAVDPNIZ-CQSZACIVSA-N 0 3 328.460 3.057 20 10 EGCDHN CC(C)c1cccc(N(C)C(=O)c2cn[n-]c2[C@H]2CCC[NH2+]C2)c1 ZINC000423080052 458429890 /nfs/dbraw/zinc/42/98/90/458429890.db2.gz BFGKDIBSSOPNTK-HNNXBMFYSA-N 0 3 326.444 3.277 20 10 EGCDHN COc1cc(O)c(CN[C@@H]2CCOc3c(F)cccc32)cc1OC ZINC000377009910 458439520 /nfs/dbraw/zinc/43/95/20/458439520.db2.gz NPGUSBUURKSXRM-CQSZACIVSA-N 0 3 333.359 3.162 20 10 EGCDHN C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(O)c1 ZINC000105461094 546695507 /nfs/dbraw/zinc/69/55/07/546695507.db2.gz GCRDMJHCAOALHA-AWEZNQCLSA-N 0 3 330.403 3.219 20 10 EGCDHN CCN(CCNC(=O)c1ccc(-n2c(C)ccc2C)cc1)C1CC1 ZINC000726196352 574544936 /nfs/dbraw/zinc/54/49/36/574544936.db2.gz MUUYKPRHDXYHHE-UHFFFAOYSA-N 0 3 325.456 3.308 20 10 EGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCN(C)C[C@@H]3C(C)C)c2c1 ZINC000738286469 574562703 /nfs/dbraw/zinc/56/27/03/574562703.db2.gz WSIOGVRQYNUKBH-LJQANCHMSA-N 0 3 328.456 3.326 20 10 EGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCN(C)C[C@@H]3C(C)C)c2c1 ZINC000738286469 574562704 /nfs/dbraw/zinc/56/27/04/574562704.db2.gz WSIOGVRQYNUKBH-LJQANCHMSA-N 0 3 328.456 3.326 20 10 EGCDHN c1ccc2c(CNCc3ccc(N4CCSCC4)cc3)n[nH]c2c1 ZINC000727466770 574669180 /nfs/dbraw/zinc/66/91/80/574669180.db2.gz FSPZJIJXRVGCJC-UHFFFAOYSA-N 0 3 338.480 3.406 20 10 EGCDHN c1ccc2c(c1)n[nH]c2CNCc1ccc(N2CCSCC2)cc1 ZINC000727466770 574669181 /nfs/dbraw/zinc/66/91/81/574669181.db2.gz FSPZJIJXRVGCJC-UHFFFAOYSA-N 0 3 338.480 3.406 20 10 EGCDHN Fc1ccc(C2(NCc3ccc(N4CCOCC4)cc3)CC2)cc1 ZINC000729685772 574879111 /nfs/dbraw/zinc/87/91/11/574879111.db2.gz OTPDBQCCBILVMU-UHFFFAOYSA-N 0 3 326.415 3.441 20 10 EGCDHN CCN(CC)c1ccc(CNCC(=O)N2CCc3ccccc32)cc1 ZINC000729684914 574879119 /nfs/dbraw/zinc/87/91/19/574879119.db2.gz KVZNRRYVDLQKNN-UHFFFAOYSA-N 0 3 337.467 3.212 20 10 EGCDHN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H]1CCCN(C)C1 ZINC000731024549 575045428 /nfs/dbraw/zinc/04/54/28/575045428.db2.gz FYGQLUONIPBGTF-HNNXBMFYSA-N 0 3 331.485 3.227 20 10 EGCDHN O=[N+]([O-])c1ccc([C@H](O)CNCc2ccc(N3CCCC3)cc2)cc1 ZINC000731678412 575199508 /nfs/dbraw/zinc/19/95/08/575199508.db2.gz LZDFHIOLIFGKBM-LJQANCHMSA-N 0 3 341.411 3.018 20 10 EGCDHN COc1ccc2[nH]cc(CC[NH2+]Cc3cccc(OC)c3[O-])c2c1 ZINC000733326433 575328071 /nfs/dbraw/zinc/32/80/71/575328071.db2.gz CIDCKRMGJXVCHL-UHFFFAOYSA-N 0 3 326.396 3.223 20 10 EGCDHN C[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccc1 ZINC000736348684 575941266 /nfs/dbraw/zinc/94/12/66/575941266.db2.gz UJRWXPNWAJQCGG-APWZRJJASA-N 0 3 337.467 3.239 20 10 EGCDHN CCN(C)c1ccc(CN2CCCN(c3nccs3)CC2)cc1 ZINC000741754873 576717467 /nfs/dbraw/zinc/71/74/67/576717467.db2.gz ZIKXHBSPWGTGGF-UHFFFAOYSA-N 0 3 330.501 3.312 20 10 EGCDHN Cc1cc(C(=O)NCCN2CC[C@@H](C)C2)c(C)n1-c1ccccc1C ZINC000744795075 576834571 /nfs/dbraw/zinc/83/45/71/576834571.db2.gz GMIUZEXWYRJITJ-OAHLLOKOSA-N 0 3 339.483 3.474 20 10 EGCDHN CC(C)CN(CCN(C)C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000046983996 1291560538 /nfs/dbraw/zinc/56/05/38/1291560538.db2.gz XRARXNLUKUNZTJ-UHFFFAOYSA-N 0 3 346.519 3.016 20 10 EGCDHN COC[C@@](C)(CC(=O)OC)NCc1ccc(N2CCCCC2)c(C)c1 ZINC000828365017 1292458091 /nfs/dbraw/zinc/45/80/91/1292458091.db2.gz NIUGACGGAFPPAY-HXUWFJFHSA-N 0 3 348.487 3.043 20 10 EGCDHN C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@H]1COCCO1 ZINC000828563960 1292474064 /nfs/dbraw/zinc/47/40/64/1292474064.db2.gz KGBCTUOADSAIGC-LPHOPBHVSA-N 0 3 327.424 3.371 20 10 EGCDHN C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@H]1COCCO1 ZINC000828563960 1292474065 /nfs/dbraw/zinc/47/40/65/1292474065.db2.gz KGBCTUOADSAIGC-LPHOPBHVSA-N 0 3 327.424 3.371 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC[C@@H](CCC(N)=O)C2)cc1F ZINC000092660213 1292884264 /nfs/dbraw/zinc/88/42/64/1292884264.db2.gz QDBMTRKPBUIOQJ-HNNXBMFYSA-N 0 3 335.467 3.149 20 10 EGCDHN COc1cc([C@@H](C)[NH2+][C@@H]2CCc3cccc([O-])c32)ccc1OCCO ZINC000834530696 1293112030 /nfs/dbraw/zinc/11/20/30/1293112030.db2.gz JKNUZWBWIUGJHV-CZUORRHYSA-N 0 3 343.423 3.110 20 10 EGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1)CC2 ZINC000834775324 1293145916 /nfs/dbraw/zinc/14/59/16/1293145916.db2.gz YUILSBRKPFRLOY-ZENOOKHLSA-N 0 3 329.362 3.453 20 10 EGCDHN CCOc1ccc(C[N@@H+]2CC[C@](C)(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000835071094 1293200362 /nfs/dbraw/zinc/20/03/62/1293200362.db2.gz VDXMHMYAPURUSA-IBGZPJMESA-N 0 3 335.444 3.345 20 10 EGCDHN CCOc1ccc(C[N@H+]2CC[C@](C)(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000835071094 1293200365 /nfs/dbraw/zinc/20/03/65/1293200365.db2.gz VDXMHMYAPURUSA-IBGZPJMESA-N 0 3 335.444 3.345 20 10 EGCDHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000119493095 1293273392 /nfs/dbraw/zinc/27/33/92/1293273392.db2.gz SYZWSDYKMPULDE-LSDHHAIUSA-N 0 3 338.423 3.457 20 10 EGCDHN CC[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCO1)c1ccccc1[O-] ZINC000121096811 1293355619 /nfs/dbraw/zinc/35/56/19/1293355619.db2.gz FIDVBIPYPZMECN-ICSRJNTNSA-N 0 3 340.467 3.334 20 10 EGCDHN CC[N@@H+](Cc1cc(Br)cc(C)c1[O-])C[C@H]1CCCO1 ZINC000124566841 1293479049 /nfs/dbraw/zinc/47/90/49/1293479049.db2.gz MPMDKVJTLQXACW-CQSZACIVSA-N 0 3 328.250 3.464 20 10 EGCDHN CC[N@H+](Cc1cc(Br)cc(C)c1[O-])C[C@H]1CCCO1 ZINC000124566841 1293479052 /nfs/dbraw/zinc/47/90/52/1293479052.db2.gz MPMDKVJTLQXACW-CQSZACIVSA-N 0 3 328.250 3.464 20 10 EGCDHN CC[C@H]([NH2+]CCNC(=O)c1ccc(C)c(F)c1)c1ccccc1[O-] ZINC000155075906 1294082749 /nfs/dbraw/zinc/08/27/49/1294082749.db2.gz NJWWEOJROFDNJJ-KRWDZBQOSA-N 0 3 330.403 3.310 20 10 EGCDHN COC(=O)c1cc(CN(C)Cc2ccc(N3CCCCC3)cc2)c[nH]1 ZINC000155241252 1294090812 /nfs/dbraw/zinc/09/08/12/1294090812.db2.gz LGJCCNPWDWPCFB-UHFFFAOYSA-N 0 3 341.455 3.424 20 10 EGCDHN CC[C@@H](NCc1ccc(N2CCSCC2)cc1)c1cnn(C)c1 ZINC000163578138 1294335152 /nfs/dbraw/zinc/33/51/52/1294335152.db2.gz USZPXKQGQCDETH-GOSISDBHSA-N 0 3 330.501 3.214 20 10 EGCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N(C)Cc2ccccc2C)c1 ZINC000182428132 1295046039 /nfs/dbraw/zinc/04/60/39/1295046039.db2.gz UVPDGOMGFURGTD-OAHLLOKOSA-N 0 3 342.439 3.018 20 10 EGCDHN COc1cc(OC)cc(OCC[NH2+][C@@H](C)c2ccc(C)cc2[O-])c1 ZINC000186114623 1295305506 /nfs/dbraw/zinc/30/55/06/1295305506.db2.gz KBIAWBABECATIV-AWEZNQCLSA-N 0 3 331.412 3.447 20 10 EGCDHN C[C@H]([NH2+]CCc1nnc(-c2ccccc2)o1)c1cc(F)ccc1[O-] ZINC000186149320 1295307086 /nfs/dbraw/zinc/30/70/86/1295307086.db2.gz LINQBFWDDWBJPH-LBPRGKRZSA-N 0 3 327.359 3.475 20 10 EGCDHN CCOc1ccc2c(c1)[C@@H](NCc1cccc(OC)c1O)CCO2 ZINC000187545708 1295398858 /nfs/dbraw/zinc/39/88/58/1295398858.db2.gz SQRFCBYZMMFZTP-INIZCTEOSA-N 0 3 329.396 3.413 20 10 EGCDHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccc(C#N)c(F)c1 ZINC000191895611 1295719826 /nfs/dbraw/zinc/71/98/26/1295719826.db2.gz CBWXPWLBPSXBAU-UHFFFAOYSA-N 0 3 339.414 3.166 20 10 EGCDHN CC[C@H](C[NH2+][C@H](C)c1cc(F)ccc1[O-])NC(=O)OC(C)(C)C ZINC000227721227 1296147321 /nfs/dbraw/zinc/14/73/21/1296147321.db2.gz AYIAQUAHELMFRB-DGCLKSJQSA-N 0 3 326.412 3.485 20 10 EGCDHN C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])[C@H]1CO ZINC000249034259 1296434557 /nfs/dbraw/zinc/43/45/57/1296434557.db2.gz BVOJFXLAPDVTJX-BEFAXECRSA-N 0 3 327.424 3.174 20 10 EGCDHN C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])[C@H]1CO ZINC000249034259 1296434562 /nfs/dbraw/zinc/43/45/62/1296434562.db2.gz BVOJFXLAPDVTJX-BEFAXECRSA-N 0 3 327.424 3.174 20 10 EGCDHN C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)c1cc(F)ccc1[O-] ZINC000715103476 1298276533 /nfs/dbraw/zinc/27/65/33/1298276533.db2.gz LOJOEAIMWIIEDG-YRGRVCCFSA-N 0 3 338.423 3.485 20 10 EGCDHN COc1cc(Br)cc(C[NH2+][C@@H]2C[C@@H](OC)C2(C)C)c1[O-] ZINC000753375080 1299924297 /nfs/dbraw/zinc/92/42/97/1299924297.db2.gz ZNRREQIAOVNMAZ-CHWSQXEVSA-N 0 3 344.249 3.066 20 10 EGCDHN C[C@H]1COCC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000753546653 1299971079 /nfs/dbraw/zinc/97/10/79/1299971079.db2.gz JGIQUXIBRYPBIF-MRXNPFEDSA-N 0 3 327.424 3.440 20 10 EGCDHN C[C@H]1COCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000753546653 1299971086 /nfs/dbraw/zinc/97/10/86/1299971086.db2.gz JGIQUXIBRYPBIF-MRXNPFEDSA-N 0 3 327.424 3.440 20 10 EGCDHN CNC(=O)[C@H](CC(C)C)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000756040678 1300430915 /nfs/dbraw/zinc/43/09/15/1300430915.db2.gz AZPLDWILFIXNOQ-SFHVURJKSA-N 0 3 326.440 3.310 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3ccnc3)nc2)c2c1c(F)ccc2[O-] ZINC000756393970 1300483486 /nfs/dbraw/zinc/48/34/86/1300483486.db2.gz UVZKMLBNWCXJCH-DOMZBBRYSA-N 0 3 338.386 3.450 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)c2c1c(F)ccc2[O-] ZINC000756474260 1300500098 /nfs/dbraw/zinc/50/00/98/1300500098.db2.gz HWXQSHKKVWAZFS-IOASZLSFSA-N 0 3 340.398 3.475 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+][C@H]2CC(=O)N(c3ccccc3)C2)c2c1c(F)ccc2[O-] ZINC000756474257 1300500105 /nfs/dbraw/zinc/50/01/05/1300500105.db2.gz HWXQSHKKVWAZFS-DVOMOZLQSA-N 0 3 340.398 3.475 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+]Cc2cccc(-n3cncn3)c2)c2c1c(F)ccc2[O-] ZINC000756587780 1300527209 /nfs/dbraw/zinc/52/72/09/1300527209.db2.gz CKYXNOISUVUKNU-MLGOLLRUSA-N 0 3 338.386 3.450 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2N2CCOCC2)c2c1c(F)ccc2[O-] ZINC000756657697 1300542763 /nfs/dbraw/zinc/54/27/63/1300542763.db2.gz FNCLJGPCXQXDHH-BSWAZPDLSA-N 0 3 348.462 3.313 20 10 EGCDHN COc1ccccc1[C@H](C)N(C)C(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648551 1300648105 /nfs/dbraw/zinc/64/81/05/1300648105.db2.gz SYHYXJZHCYUSOP-CABCVRRESA-N 0 3 342.439 3.271 20 10 EGCDHN CCO[C@H]1COCC[C@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000759173057 1301031687 /nfs/dbraw/zinc/03/16/87/1301031687.db2.gz MINNYYARMXUFHL-QUCCMNQESA-N 0 3 327.424 3.343 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](CO)CC(F)F)c1[O-] ZINC000760035728 1301212361 /nfs/dbraw/zinc/21/23/61/1301212361.db2.gz CWILWHLOSKCJPW-WCBMZHEXSA-N 0 3 338.192 3.130 20 10 EGCDHN CCOc1ccc(C[NH2+]C[C@](C)(O)c2ccccc2Cl)c([O-])c1 ZINC000764983530 1302180370 /nfs/dbraw/zinc/18/03/70/1302180370.db2.gz OZICNFXLYXQUSL-SFHVURJKSA-N 0 3 335.831 3.442 20 10 EGCDHN CC[C@@H](NCC(=O)NCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000765381001 1302258576 /nfs/dbraw/zinc/25/85/76/1302258576.db2.gz IVOGOXJBVZKRDI-LJQANCHMSA-N 0 3 325.456 3.110 20 10 EGCDHN CC[C@@H](NCc1ccc(N(CC)CC)c(F)c1)[C@@H](O)C(F)(F)F ZINC000765789234 1302326907 /nfs/dbraw/zinc/32/69/07/1302326907.db2.gz RYLHIKGHYSLIGY-UKRRQHHQSA-N 0 3 336.373 3.463 20 10 EGCDHN C[C@H](NCc1ccc(N2CCN(C)CC2)cc1)c1cc(O)ccc1F ZINC000883290810 1302369720 /nfs/dbraw/zinc/36/97/20/1302369720.db2.gz IIMJUFKNRBHCKU-HNNXBMFYSA-N 0 3 343.446 3.134 20 10 EGCDHN CCC[N@H+](CCc1cccs1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000766028361 1302372371 /nfs/dbraw/zinc/37/23/71/1302372371.db2.gz RNZMRQISTLEUME-KRWDZBQOSA-N 0 3 333.453 3.334 20 10 EGCDHN CCC[N@@H+](CCc1cccs1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000766028361 1302372384 /nfs/dbraw/zinc/37/23/84/1302372384.db2.gz RNZMRQISTLEUME-KRWDZBQOSA-N 0 3 333.453 3.334 20 10 EGCDHN CCOc1ccc(O)c(CN2CCN(c3cccc(C)c3)CC2)c1 ZINC000768215097 1302855530 /nfs/dbraw/zinc/85/55/30/1302855530.db2.gz YVXBGBWEHSIDEA-UHFFFAOYSA-N 0 3 326.440 3.422 20 10 EGCDHN CCN1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000769380563 1303102992 /nfs/dbraw/zinc/10/29/92/1303102992.db2.gz KGEAJKUJLKGTNF-INIZCTEOSA-N 0 3 346.475 3.111 20 10 EGCDHN C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)c1c([O-])cccc1F ZINC000886651532 1303539598 /nfs/dbraw/zinc/53/95/98/1303539598.db2.gz IXBBFXRSMUUWPJ-OAHLLOKOSA-N 0 3 343.446 3.134 20 10 EGCDHN C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1)c1ccccc1[O-] ZINC000886811356 1303606061 /nfs/dbraw/zinc/60/60/61/1303606061.db2.gz QJYDVVKXWZOULM-MAAWUACBSA-N 0 3 346.377 3.293 20 10 EGCDHN Cc1ccc(C)n1-c1ccc(C(=O)N(CCN(C)C)C2CC2)cc1 ZINC000773109519 1303626070 /nfs/dbraw/zinc/62/60/70/1303626070.db2.gz FNVAERHAZLELDD-UHFFFAOYSA-N 0 3 325.456 3.260 20 10 EGCDHN C[C@@H](CN[C@@H](C)c1ccc(N2CCCCCC2)cc1)S(C)(=O)=O ZINC000773107609 1303626154 /nfs/dbraw/zinc/62/61/54/1303626154.db2.gz YIQDCZSWYYDQHM-HOTGVXAUSA-N 0 3 338.517 3.151 20 10 EGCDHN CCN(C)c1ccc(CN2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000773887937 1303751546 /nfs/dbraw/zinc/75/15/46/1303751546.db2.gz JTMYTCHWJSAXCN-ZBFHGGJFSA-N 0 3 330.394 3.278 20 10 EGCDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)NCc1ccc(F)cc1 ZINC000774482422 1303815329 /nfs/dbraw/zinc/81/53/29/1303815329.db2.gz KIJRHLHKGYQAIK-GJZGRUSLSA-N 0 3 343.446 3.247 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]CCN2CCCC(C)(C)C2)c1[O-] ZINC000775183267 1303920735 /nfs/dbraw/zinc/92/07/35/1303920735.db2.gz JFMDDFYEQSNUQW-UHFFFAOYSA-N 0 3 326.868 3.266 20 10 EGCDHN COc1ccc(NC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775828562 1304045707 /nfs/dbraw/zinc/04/57/07/1304045707.db2.gz QSLHUZUWFBOSMV-CQSZACIVSA-N 0 3 327.428 3.051 20 10 EGCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC(O)(C(F)F)CC3)c2c1 ZINC000777573714 1304320979 /nfs/dbraw/zinc/32/09/79/1304320979.db2.gz DBFQVJDLPQROES-UHFFFAOYSA-N 0 3 337.366 3.146 20 10 EGCDHN COCCOC[C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000779036444 1304522102 /nfs/dbraw/zinc/52/21/02/1304522102.db2.gz OIQWPCYPGJGHJA-NEPJUHHUSA-N 0 3 346.265 3.165 20 10 EGCDHN C[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccccc1 ZINC000891248423 1304999131 /nfs/dbraw/zinc/99/91/31/1304999131.db2.gz LNDNWYJRRCQNCG-OXJNMPFZSA-N 0 3 339.483 3.275 20 10 EGCDHN C[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccccc1 ZINC000891248425 1304999251 /nfs/dbraw/zinc/99/92/51/1304999251.db2.gz LNDNWYJRRCQNCG-OXQOHEQNSA-N 0 3 339.483 3.275 20 10 EGCDHN CN(C)c1ccc([C@@H](CNC(=O)CCCOC(C)(C)C)N(C)C)cc1 ZINC000891246611 1304999405 /nfs/dbraw/zinc/99/94/05/1304999405.db2.gz CBTLMZAXTKHMEO-GOSISDBHSA-N 0 3 349.519 3.067 20 10 EGCDHN CN(C)c1ccc([C@@H](CNC(=O)C23CCC(CC2)C3)N(C)C)cc1 ZINC000891247182 1304999619 /nfs/dbraw/zinc/99/96/19/1304999619.db2.gz GSYPIVQFOPQMPX-RVSXGSNBSA-N 0 3 329.488 3.052 20 10 EGCDHN C[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cccs1 ZINC000891251530 1305000602 /nfs/dbraw/zinc/00/06/02/1305000602.db2.gz FYIDPXFEEKETNF-YOEHRIQHSA-N 0 3 345.512 3.337 20 10 EGCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000783513240 1305101367 /nfs/dbraw/zinc/10/13/67/1305101367.db2.gz JSELGCAXXXBILT-FVJLSDCUSA-N 0 3 340.467 3.332 20 10 EGCDHN C[C@@H]([NH2+][C@H]1CCN(CCCc2ccccc2)C1=O)c1ccccc1[O-] ZINC000783517707 1305102253 /nfs/dbraw/zinc/10/22/53/1305102253.db2.gz IAAOHMFHHCENIP-APWZRJJASA-N 0 3 338.451 3.277 20 10 EGCDHN Cc1cccc([C@@H]2CC[N@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)c1 ZINC000784026876 1305179291 /nfs/dbraw/zinc/17/92/91/1305179291.db2.gz PSJZJHQVBFXUQD-BEFAXECRSA-N 0 3 325.408 3.116 20 10 EGCDHN Cc1cccc([C@@H]2CC[N@@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)c1 ZINC000784026876 1305179293 /nfs/dbraw/zinc/17/92/93/1305179293.db2.gz PSJZJHQVBFXUQD-BEFAXECRSA-N 0 3 325.408 3.116 20 10 EGCDHN CCC(O)(CC)CC[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000788273296 1305912677 /nfs/dbraw/zinc/91/26/77/1305912677.db2.gz JTDWCLDTKRCGSW-UHFFFAOYSA-N 0 3 330.266 3.494 20 10 EGCDHN COC(=O)CC[C@H](NCc1cc(C)cc(OC)c1O)c1ccccc1 ZINC000894230632 1306291580 /nfs/dbraw/zinc/29/15/80/1306291580.db2.gz SNFXAPWWCZCLPA-KRWDZBQOSA-N 0 3 343.423 3.493 20 10 EGCDHN COC(=O)C[C@@H]1CCCN1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792830033 1309238960 /nfs/dbraw/zinc/23/89/60/1309238960.db2.gz UKYZECVTFQAODC-AWEZNQCLSA-N 0 3 344.377 3.299 20 10 EGCDHN CC1=NO[C@H](C[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000895308008 1309277925 /nfs/dbraw/zinc/27/79/25/1309277925.db2.gz WPHNUUPALTZHMO-SFHVURJKSA-N 0 3 326.396 3.226 20 10 EGCDHN COc1ccc(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)c([O-])c1 ZINC000793388021 1309361892 /nfs/dbraw/zinc/36/18/92/1309361892.db2.gz FBVZLASTTSRNIR-UHFFFAOYSA-N 0 3 327.302 3.431 20 10 EGCDHN Cc1cc(CNCc2ccc(OCc3ccccc3)cc2O)n(C)n1 ZINC000793607238 1309415618 /nfs/dbraw/zinc/41/56/18/1309415618.db2.gz QLAXPKONEVZTAU-UHFFFAOYSA-N 0 3 337.423 3.303 20 10 EGCDHN Cc1cc(C[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])n(C)n1 ZINC000793607238 1309415624 /nfs/dbraw/zinc/41/56/24/1309415624.db2.gz QLAXPKONEVZTAU-UHFFFAOYSA-N 0 3 337.423 3.303 20 10 EGCDHN Cn1cc2c(n1)CCC[C@H]2NCc1ccc(N2CCSCC2)cc1 ZINC000794797653 1309597345 /nfs/dbraw/zinc/59/73/45/1309597345.db2.gz PFVUPNUXMWYKNH-GOSISDBHSA-N 0 3 342.512 3.141 20 10 EGCDHN CCN(CC)c1ccc(CN(C)Cc2ccc(C(N)=O)cc2)cc1 ZINC000795155599 1309684208 /nfs/dbraw/zinc/68/42/08/1309684208.db2.gz INYLEILKEMRXDH-UHFFFAOYSA-N 0 3 325.456 3.264 20 10 EGCDHN C[C@@H]1C[C@H](c2ccccc2)[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000795748390 1309825664 /nfs/dbraw/zinc/82/56/64/1309825664.db2.gz XIKKPXRDAMKNJG-OMWUSAIZSA-N 0 3 325.408 3.401 20 10 EGCDHN C[C@@H]1C[C@H](c2ccccc2)[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000795748390 1309825669 /nfs/dbraw/zinc/82/56/69/1309825669.db2.gz XIKKPXRDAMKNJG-OMWUSAIZSA-N 0 3 325.408 3.401 20 10 EGCDHN Cc1ccc(C[N@@H+]2CC[C@H](CCNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000896981680 1310118433 /nfs/dbraw/zinc/11/84/33/1310118433.db2.gz KIQBUHXTNIMZAF-HNNXBMFYSA-N 0 3 334.460 3.437 20 10 EGCDHN Cc1ccc(C[N@H+]2CC[C@H](CCNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000896981680 1310118437 /nfs/dbraw/zinc/11/84/37/1310118437.db2.gz KIQBUHXTNIMZAF-HNNXBMFYSA-N 0 3 334.460 3.437 20 10 EGCDHN CCOc1ccc(C[NH2+][C@@]2(CO)CCCc3ccccc32)c([O-])c1 ZINC000799345007 1310532753 /nfs/dbraw/zinc/53/27/53/1310532753.db2.gz OCGMGYOTSIFOQT-HXUWFJFHSA-N 0 3 327.424 3.105 20 10 EGCDHN CCOCc1cc(CNCc2ccc(CCO)cc2)ccc1OC ZINC000898172398 1310612167 /nfs/dbraw/zinc/61/21/67/1310612167.db2.gz GGXBDMFATUBZIV-UHFFFAOYSA-N 0 3 329.440 3.056 20 10 EGCDHN COc1cc(Br)cc(C[NH2+][C@H](C)[C@@H](OC)C2CC2)c1[O-] ZINC000825099235 1320309857 /nfs/dbraw/zinc/30/98/57/1320309857.db2.gz VVIDNOIPKUFUTC-RFAUZJTJSA-N 0 3 344.249 3.066 20 10 EGCDHN CC(=O)NCCN(Cc1ccc(C)s1)Cc1cc(C)ccc1O ZINC000802652286 1317021217 /nfs/dbraw/zinc/02/12/17/1317021217.db2.gz CGYJVVGCMLNNNQ-UHFFFAOYSA-N 0 3 332.469 3.209 20 10 EGCDHN CN(C)c1cc(F)c(CNC[C@@H](c2ccsc2)N(C)C)cc1F ZINC000858091027 1328679429 /nfs/dbraw/zinc/67/94/29/1328679429.db2.gz NGAUQNRUSITFIR-KRWDZBQOSA-N 0 3 339.455 3.485 20 10 EGCDHN CNC(=O)[C@H](CCSC)N[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000806662818 1317517085 /nfs/dbraw/zinc/51/70/85/1317517085.db2.gz HIBQSEBVHNNXJC-YJBOKZPZSA-N 0 3 349.544 3.195 20 10 EGCDHN COc1cccc([O-])c1C[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000808425657 1317675319 /nfs/dbraw/zinc/67/53/19/1317675319.db2.gz GJQYNELCCQDMNU-HNNXBMFYSA-N 0 3 341.329 3.243 20 10 EGCDHN CN(C)c1ccc([C@@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)N(C)C)cc1 ZINC000903447843 1317701005 /nfs/dbraw/zinc/70/10/05/1317701005.db2.gz CZBYYUAHHLANNS-RTBURBONSA-N 0 3 339.483 3.338 20 10 EGCDHN COC(=O)c1cc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)cn1C ZINC000809575109 1317835244 /nfs/dbraw/zinc/83/52/44/1317835244.db2.gz ZHIYWDDMAKXYME-UHFFFAOYSA-N 0 3 342.439 3.462 20 10 EGCDHN COC(=O)c1cc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cn1C ZINC000809575109 1317835251 /nfs/dbraw/zinc/83/52/51/1317835251.db2.gz ZHIYWDDMAKXYME-UHFFFAOYSA-N 0 3 342.439 3.462 20 10 EGCDHN CCN(CC)c1ccc(CN2CCCC[C@@H]2COC(=O)NC)cc1 ZINC000809779720 1317898995 /nfs/dbraw/zinc/89/89/95/1317898995.db2.gz XKHVDBVCDUDIHO-GOSISDBHSA-N 0 3 333.476 3.243 20 10 EGCDHN OCc1cc(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccn1 ZINC000858427765 1328759944 /nfs/dbraw/zinc/75/99/44/1328759944.db2.gz KFDANNLSNLKNMW-CQSZACIVSA-N 0 3 349.381 3.256 20 10 EGCDHN Cc1ccc([C@@H](C)NCc2cc(C)nc(N3CCCC3)n2)c(O)c1 ZINC000813886191 1318651894 /nfs/dbraw/zinc/65/18/94/1318651894.db2.gz XUIURFQWRCUUAG-OAHLLOKOSA-N 0 3 326.444 3.250 20 10 EGCDHN CCNC(=O)OC[C@H]1CCCCN1Cc1ccc(N(C)C)c(C)c1 ZINC000815116332 1318897667 /nfs/dbraw/zinc/89/76/67/1318897667.db2.gz JIMIIKMTKLSMIE-QGZVFWFLSA-N 0 3 333.476 3.162 20 10 EGCDHN COC[C@@](C)(O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815579837 1319021679 /nfs/dbraw/zinc/02/16/79/1319021679.db2.gz WFDJXPMGEVOFGQ-QUCCMNQESA-N 0 3 329.440 3.053 20 10 EGCDHN COc1ccc(N2CC[C@H](CN[C@H]3C[C@@H](C)n4ccnc43)C2)cc1 ZINC000818341602 1319530704 /nfs/dbraw/zinc/53/07/04/1319530704.db2.gz BQTPEQGZBAANQE-RKVPGOIHSA-N 0 3 326.444 3.014 20 10 EGCDHN Cc1cc(CCN[C@H](C(N)=O)c2ccccc2)c(C)n1-c1ccccc1 ZINC000821971439 1320044280 /nfs/dbraw/zinc/04/42/80/1320044280.db2.gz UYZOFHWYXBNITN-NRFANRHFSA-N 0 3 347.462 3.453 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+][C@H](C(C)C)[C@H](CO)C(C)C)c1[O-] ZINC000824844836 1320290894 /nfs/dbraw/zinc/29/08/94/1320290894.db2.gz DORWRKCFTVMDQY-GDBMZVCRSA-N 0 3 329.868 3.433 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)c1[O-] ZINC000824954025 1320299351 /nfs/dbraw/zinc/29/93/51/1320299351.db2.gz NZLNJMODZOKTBL-CVEARBPZSA-N 0 3 348.830 3.459 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@H](c3ccncc3)C2)c1[O-] ZINC000824954027 1320299841 /nfs/dbraw/zinc/29/98/41/1320299841.db2.gz NZLNJMODZOKTBL-HOTGVXAUSA-N 0 3 348.830 3.459 20 10 EGCDHN COc1cc(CN2CCC(F)(F)[C@@H](CO)C2)c(O)c(C(C)(C)C)c1 ZINC000825956206 1320374505 /nfs/dbraw/zinc/37/45/05/1320374505.db2.gz ZIRNJSHQXPSPBO-CYBMUJFWSA-N 0 3 343.414 3.148 20 10 EGCDHN CN1CCN(c2ccc(CN3CC(C)(CC(F)(F)F)C3)cc2)CC1 ZINC000839144737 1320879678 /nfs/dbraw/zinc/87/96/78/1320879678.db2.gz KBBRVORANZWJDU-UHFFFAOYSA-N 0 3 341.421 3.213 20 10 EGCDHN COc1ccc([C@H](CO)C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)cc1 ZINC000840808759 1321153682 /nfs/dbraw/zinc/15/36/82/1321153682.db2.gz LPLHMQLAYAKPMC-IFIJOSMWSA-N 0 3 345.414 3.454 20 10 EGCDHN CC[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000840818635 1321155927 /nfs/dbraw/zinc/15/59/27/1321155927.db2.gz SLOLFWAWDCJYHM-XWIAVFTESA-N 0 3 338.879 3.395 20 10 EGCDHN CC(C)NC(=O)[C@@H](C)NCc1ccc(N(C)Cc2cccs2)cc1 ZINC000840975055 1321192130 /nfs/dbraw/zinc/19/21/30/1321192130.db2.gz TZJPOAKYRDXSRN-OAHLLOKOSA-N 0 3 345.512 3.387 20 10 EGCDHN CC(C)(C)OC(=O)N1CCC[C@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC000840978777 1321193145 /nfs/dbraw/zinc/19/31/45/1321193145.db2.gz SAQIODJDVMNDDO-LJQANCHMSA-N 0 3 332.444 3.368 20 10 EGCDHN CC(C)(C)OC(=O)N1CCC[C@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC000840978777 1321193147 /nfs/dbraw/zinc/19/31/47/1321193147.db2.gz SAQIODJDVMNDDO-LJQANCHMSA-N 0 3 332.444 3.368 20 10 EGCDHN Cc1cc(Br)c([O-])c(CN2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000843052538 1321462449 /nfs/dbraw/zinc/46/24/49/1321462449.db2.gz VNABLLHUOSFTPM-NWDGAFQWSA-N 0 3 327.266 3.022 20 10 EGCDHN CC(=O)c1cc(Cl)cc(CN2CC[NH2+]Cc3ccccc32)c1[O-] ZINC000843348286 1321503447 /nfs/dbraw/zinc/50/34/47/1321503447.db2.gz BLOSNUMOYPRUSJ-UHFFFAOYSA-N 0 3 330.815 3.358 20 10 EGCDHN COC(=O)/C=C/c1ccc(CN[C@H](C)c2cc(OC)ccc2O)o1 ZINC000848910860 1322042699 /nfs/dbraw/zinc/04/26/99/1322042699.db2.gz AHIMXAKZSZLLPC-YPUOHESYSA-N 0 3 331.368 3.031 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)C2(CO)CC2)c1[O-] ZINC000850516547 1322259791 /nfs/dbraw/zinc/25/97/91/1322259791.db2.gz WYJPWXQOPNLIFX-WDEREUQCSA-N 0 3 328.250 3.275 20 10 EGCDHN [O-]c1cccc2c1[C@@H]([NH2+]Cc1ccc(N3CCC(O)CC3)cc1)CC2 ZINC000850567465 1322269360 /nfs/dbraw/zinc/26/93/60/1322269360.db2.gz CTDCOTOLFIYYPR-IBGZPJMESA-N 0 3 338.451 3.130 20 10 EGCDHN COc1ccc(CNCc2cc(C)c(Br)cn2)c(O)c1 ZINC000862353543 1329477485 /nfs/dbraw/zinc/47/74/85/1329477485.db2.gz RIRRHTNHNXCTQS-UHFFFAOYSA-N 0 3 337.217 3.157 20 10 EGCDHN C[C@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)C[C@H](C)C1(F)F ZINC000862442272 1329487588 /nfs/dbraw/zinc/48/75/88/1329487588.db2.gz HIWGYBOOGONRPY-KBPBESRZSA-N 0 3 342.405 3.385 20 10 EGCDHN CCOc1ccc(O)c(CN(CC)CCNC(=O)OC(C)(C)C)c1 ZINC000862468481 1329489388 /nfs/dbraw/zinc/48/93/88/1329489388.db2.gz JKZMKFBXBNPUTF-UHFFFAOYSA-N 0 3 338.448 3.138 20 10 EGCDHN CCOc1ccc(C[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)c([O-])c1 ZINC000862483616 1329490157 /nfs/dbraw/zinc/49/01/57/1329490157.db2.gz VORMEQXAPJYGSB-FQEVSTJZSA-N 0 3 327.424 3.275 20 10 EGCDHN CCOc1ccc(C[N@H+]2CCC[C@@](O)(c3ccccc3)C2)c([O-])c1 ZINC000862483616 1329490159 /nfs/dbraw/zinc/49/01/59/1329490159.db2.gz VORMEQXAPJYGSB-FQEVSTJZSA-N 0 3 327.424 3.275 20 10 EGCDHN CCOc1ccc(C[N@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)c([O-])c1 ZINC000862540896 1329494138 /nfs/dbraw/zinc/49/41/38/1329494138.db2.gz MBKGMZAUDKRYSG-ZDUSSCGKSA-N 0 3 338.448 3.136 20 10 EGCDHN CCOc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)c([O-])c1 ZINC000862540896 1329494139 /nfs/dbraw/zinc/49/41/39/1329494139.db2.gz MBKGMZAUDKRYSG-ZDUSSCGKSA-N 0 3 338.448 3.136 20 10 EGCDHN CCOc1ccc(C[N@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)c([O-])c1 ZINC000862540895 1329494322 /nfs/dbraw/zinc/49/43/22/1329494322.db2.gz MBKGMZAUDKRYSG-CYBMUJFWSA-N 0 3 338.448 3.136 20 10 EGCDHN CCOc1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)c([O-])c1 ZINC000862540895 1329494323 /nfs/dbraw/zinc/49/43/23/1329494323.db2.gz MBKGMZAUDKRYSG-CYBMUJFWSA-N 0 3 338.448 3.136 20 10 EGCDHN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CN(C)C1CCC1 ZINC000863852671 1329585898 /nfs/dbraw/zinc/58/58/98/1329585898.db2.gz VHRMJCQOCIUZHK-UHFFFAOYSA-N 0 3 329.488 3.120 20 10 EGCDHN Cc1cc(Br)cc(CN2CCCC3(COC3)C2)c1O ZINC001233107366 1376570343 /nfs/dbraw/zinc/57/03/43/1376570343.db2.gz ANJIXLHVRAFTAA-UHFFFAOYSA-N 0 3 326.234 3.076 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CCCC3(COC3)C2)c1[O-] ZINC001233107366 1376570347 /nfs/dbraw/zinc/57/03/47/1376570347.db2.gz ANJIXLHVRAFTAA-UHFFFAOYSA-N 0 3 326.234 3.076 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CCCC3(COC3)C2)c1[O-] ZINC001233107366 1376570352 /nfs/dbraw/zinc/57/03/52/1376570352.db2.gz ANJIXLHVRAFTAA-UHFFFAOYSA-N 0 3 326.234 3.076 20 10 EGCDHN C[C@H]1CC[C@H](NC(=O)NC2CC[NH+](Cc3ccccc3[O-])CC2)CC1 ZINC001191848597 1367611282 /nfs/dbraw/zinc/61/12/82/1367611282.db2.gz WHWKKVBFEPLTDB-JCNLHEQBSA-N 0 3 345.487 3.235 20 10 EGCDHN CCCC[C@H](C)NC(=O)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001193085244 1367939538 /nfs/dbraw/zinc/93/95/38/1367939538.db2.gz WWVJYSQCAXOHOF-HNNXBMFYSA-N 0 3 333.476 3.235 20 10 EGCDHN O=C(Nc1ccccc1F)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001202007821 1369666222 /nfs/dbraw/zinc/66/62/22/1369666222.db2.gz KKTSDJNHUHIQBE-UHFFFAOYSA-N 0 3 343.402 3.317 20 10 EGCDHN CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001203561346 1370169964 /nfs/dbraw/zinc/16/99/64/1370169964.db2.gz RGLNTCYVESRCMP-HNNXBMFYSA-N 0 3 334.460 3.471 20 10 EGCDHN CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001203561346 1370169965 /nfs/dbraw/zinc/16/99/65/1370169965.db2.gz RGLNTCYVESRCMP-HNNXBMFYSA-N 0 3 334.460 3.471 20 10 EGCDHN CCOc1cccc(CN(C)Cc2cccc(C(=O)OC)c2)c1O ZINC001203615399 1370188630 /nfs/dbraw/zinc/18/86/30/1370188630.db2.gz VBSJXOHTXUQTCJ-UHFFFAOYSA-N 0 3 329.396 3.210 20 10 EGCDHN COc1ccc(O)c(CN2CCN(c3ccc(C)cc3C)CC2)c1 ZINC001203680411 1370216443 /nfs/dbraw/zinc/21/64/43/1370216443.db2.gz VXDSXFHRTHSEPB-UHFFFAOYSA-N 0 3 326.440 3.340 20 10 EGCDHN COc1ccccc1O[C@H]1CCC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204275386 1370429090 /nfs/dbraw/zinc/42/90/90/1370429090.db2.gz PXPUOXNFYBZLQD-INIZCTEOSA-N 0 3 329.396 3.150 20 10 EGCDHN COc1ccccc1O[C@H]1CCC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204275386 1370429094 /nfs/dbraw/zinc/42/90/94/1370429094.db2.gz PXPUOXNFYBZLQD-INIZCTEOSA-N 0 3 329.396 3.150 20 10 EGCDHN CC(C)(C)OC(=O)N1CC[C@]2(CCC[N@@H+]2Cc2ccc(O)cc2[O-])C1 ZINC001204276011 1370429183 /nfs/dbraw/zinc/42/91/83/1370429183.db2.gz DLHZWVOSYUZYHR-LJQANCHMSA-N 0 3 348.443 3.073 20 10 EGCDHN CC(C)(C)OC(=O)N1CC[C@]2(CCC[N@H+]2Cc2ccc(O)cc2[O-])C1 ZINC001204276011 1370429185 /nfs/dbraw/zinc/42/91/85/1370429185.db2.gz DLHZWVOSYUZYHR-LJQANCHMSA-N 0 3 348.443 3.073 20 10 EGCDHN CCCCN(CCCC)c1ccc(CN2C[C@H](N)[C@@H](F)C2)c(O)c1 ZINC001204891965 1370598458 /nfs/dbraw/zinc/59/84/58/1370598458.db2.gz RNSVOJWWJTXSDN-ROUUACIJSA-N 0 3 337.483 3.280 20 10 EGCDHN CCOC(=O)c1cc(CN(Cc2ccccc2O)C2CCCC2)[nH]n1 ZINC001118202426 1371145893 /nfs/dbraw/zinc/14/58/93/1371145893.db2.gz TXHSTHRDUNGDOO-UHFFFAOYSA-N 0 3 343.427 3.237 20 10 EGCDHN COC(=O)COc1ccc([C@@H](C)NCc2ccc(OC)c(C)c2)cc1 ZINC001119819520 1371409112 /nfs/dbraw/zinc/40/91/12/1371409112.db2.gz NWTLCKWSZGYHLP-OAHLLOKOSA-N 0 3 343.423 3.406 20 10 EGCDHN CCOC(=O)CCCCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC001209348643 1372073516 /nfs/dbraw/zinc/07/35/16/1372073516.db2.gz SUKXBXRXLGDKAS-UHFFFAOYSA-N 0 3 348.487 3.331 20 10 EGCDHN COCC1CC[NH+](Cc2c(Br)ccc(OC)c2[O-])CC1 ZINC001231547762 1376261912 /nfs/dbraw/zinc/26/19/12/1376261912.db2.gz IPRUHOHKLROHIR-UHFFFAOYSA-N 0 3 344.249 3.022 20 10 EGCDHN COCC1CCN(Cc2c(Br)ccc(OC)c2O)CC1 ZINC001231547762 1376261922 /nfs/dbraw/zinc/26/19/22/1376261922.db2.gz IPRUHOHKLROHIR-UHFFFAOYSA-N 0 3 344.249 3.022 20 10 EGCDHN Cc1cccc(CN2CCCn3cnc(COC(C)C)c3C2)c1O ZINC001231593755 1376274089 /nfs/dbraw/zinc/27/40/89/1376274089.db2.gz UJYWUZHOROFCJK-UHFFFAOYSA-N 0 3 329.444 3.228 20 10 EGCDHN COC(=O)[C@@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC1 ZINC001233775773 1376713386 /nfs/dbraw/zinc/71/33/86/1376713386.db2.gz BZLYENYYEODWMG-LLVKDONJSA-N 0 3 347.333 3.066 20 10 EGCDHN COC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC1 ZINC001233775773 1376713394 /nfs/dbraw/zinc/71/33/94/1376713394.db2.gz BZLYENYYEODWMG-LLVKDONJSA-N 0 3 347.333 3.066 20 10 EGCDHN CC(C)c1ccc(C[N@@H+]2CCC[C@H](Oc3ncccn3)C2)c([O-])c1 ZINC001237052282 1376971410 /nfs/dbraw/zinc/97/14/10/1376971410.db2.gz VTCZEOMWDYONDF-KRWDZBQOSA-N 0 3 327.428 3.349 20 10 EGCDHN CC(C)c1ccc(C[N@H+]2CCC[C@H](Oc3ncccn3)C2)c([O-])c1 ZINC001237052282 1376971414 /nfs/dbraw/zinc/97/14/14/1376971414.db2.gz VTCZEOMWDYONDF-KRWDZBQOSA-N 0 3 327.428 3.349 20 10 EGCDHN COC(=O)[C@@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])[C@H]1C ZINC001237141057 1376976821 /nfs/dbraw/zinc/97/68/21/1376976821.db2.gz UIBYBURSUGHNSD-GXFFZTMASA-N 0 3 331.334 3.185 20 10 EGCDHN COC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])[C@H]1C ZINC001237141057 1376976822 /nfs/dbraw/zinc/97/68/22/1376976822.db2.gz UIBYBURSUGHNSD-GXFFZTMASA-N 0 3 331.334 3.185 20 10 EGCDHN COC(=O)[C@@H]1CCCN(Cc2cc(C(F)(F)F)ccc2O)[C@H]1C ZINC001237141057 1376976823 /nfs/dbraw/zinc/97/68/23/1376976823.db2.gz UIBYBURSUGHNSD-GXFFZTMASA-N 0 3 331.334 3.185 20 10 EGCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@@](C)(O)[C@@H](C)C2)cc1Br ZINC001237676472 1376982548 /nfs/dbraw/zinc/98/25/48/1376982548.db2.gz IMOKBLHDPUNFLZ-XHDPSFHLSA-N 0 3 328.250 3.056 20 10 EGCDHN Cc1cc([O-])c(C[N@H+]2CC[C@@](C)(O)[C@@H](C)C2)cc1Br ZINC001237676472 1376982551 /nfs/dbraw/zinc/98/25/51/1376982551.db2.gz IMOKBLHDPUNFLZ-XHDPSFHLSA-N 0 3 328.250 3.056 20 10 EGCDHN CCOc1ccc(N2CCN(Cc3ccc4nc[nH]c4c3)CC2)cc1 ZINC001137048916 1377467032 /nfs/dbraw/zinc/46/70/32/1377467032.db2.gz PDRHGAYFXKMQKQ-UHFFFAOYSA-N 0 3 336.439 3.284 20 10 EGCDHN COc1ccc(N2CCN(Cc3ccc4nc[nH]c4c3)CC2)c(C)c1 ZINC001137048705 1377467264 /nfs/dbraw/zinc/46/72/64/1377467264.db2.gz DGQVRSVUGGXVCO-UHFFFAOYSA-N 0 3 336.439 3.202 20 10 EGCDHN [O-]c1cccc(F)c1C[N@@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001137841846 1377629095 /nfs/dbraw/zinc/62/90/95/1377629095.db2.gz XLSCMNZNGDPBAA-APWZRJJASA-N 0 3 326.415 3.238 20 10 EGCDHN [O-]c1cccc(F)c1C[N@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001137841846 1377629101 /nfs/dbraw/zinc/62/91/01/1377629101.db2.gz XLSCMNZNGDPBAA-APWZRJJASA-N 0 3 326.415 3.238 20 10 EGCDHN C[C@@H]1CCN(Cc2ccc(N3CCOCC3)c(Br)c2)C1 ZINC001138676483 1377766868 /nfs/dbraw/zinc/76/68/68/1377766868.db2.gz LEWXIWKPPAYCSY-CYBMUJFWSA-N 0 3 339.277 3.128 20 10 EGCDHN Cc1cc(OC2CCN(Cc3ccc(N(C)C)c(C)c3)CC2)ncn1 ZINC001139673444 1377931301 /nfs/dbraw/zinc/93/13/01/1377931301.db2.gz CDXKOHKTDFLWST-UHFFFAOYSA-N 0 3 340.471 3.203 20 10 EGCDHN [O-]c1cccc(Cl)c1C[NH+]1C[C@@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001140339077 1378049289 /nfs/dbraw/zinc/04/92/89/1378049289.db2.gz FAJKKESMYLILHC-GJZGRUSLSA-N 0 3 343.858 3.004 20 10 EGCDHN COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccc(N(C)C)cc1Cl)C2 ZINC001140924122 1378181835 /nfs/dbraw/zinc/18/18/35/1378181835.db2.gz DWDJEYREVJURBK-BJJXKVORSA-N 0 3 336.863 3.180 20 10 EGCDHN COc1cc2c(cc1OC)[C@@H](C[N@H+](C)Cc1ccc(C)cc1[O-])C2 ZINC001140957653 1378193860 /nfs/dbraw/zinc/19/38/60/1378193860.db2.gz HFVKEMIZBJNCNM-MRXNPFEDSA-N 0 3 327.424 3.490 20 10 EGCDHN COc1cc2c(cc1OC)[C@@H](C[N@@H+](C)Cc1ccc(C)cc1[O-])C2 ZINC001140957653 1378193862 /nfs/dbraw/zinc/19/38/62/1378193862.db2.gz HFVKEMIZBJNCNM-MRXNPFEDSA-N 0 3 327.424 3.490 20 10 EGCDHN COc1ccccc1OC1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141159259 1378254920 /nfs/dbraw/zinc/25/49/20/1378254920.db2.gz BBIBINVOXTWIJQ-UHFFFAOYSA-N 0 3 329.396 3.150 20 10 EGCDHN Cc1ccc(CN2CCN(Cc3cc(F)c(F)cc3O)CC2)cc1 ZINC001142520634 1378452432 /nfs/dbraw/zinc/45/24/32/1378452432.db2.gz MSYPJWFVLOEQMX-UHFFFAOYSA-N 0 3 332.394 3.297 20 10 EGCDHN CCOc1ccc(N2CCN(Cc3cccc4[nH]cnc43)CC2)cc1 ZINC001142696678 1378478951 /nfs/dbraw/zinc/47/89/51/1378478951.db2.gz QMBJUWFSDCCQDN-UHFFFAOYSA-N 0 3 336.439 3.284 20 10 EGCDHN Cc1ccncc1[C@H](C)NCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001337282850 1389293283 /nfs/dbraw/zinc/29/32/83/1389293283.db2.gz VMQIWNUKDWDVCY-INIZCTEOSA-N 0 3 342.462 3.132 20 10 EGCDHN CC(C)CNC(=O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC001347666591 1391108808 /nfs/dbraw/zinc/10/88/08/1391108808.db2.gz OMLPMROHRTVAJN-IBGZPJMESA-N 0 3 340.467 3.428 20 10 EGCDHN COc1ccc(CNC/C=C/CNC(=O)C2CCCCC2)cc1C ZINC001754091163 1440540584 /nfs/dbraw/zinc/54/05/84/1440540584.db2.gz UZRPYFYQUDZLJP-VOTSOKGWSA-N 0 3 330.472 3.346 20 10 EGCDHN COc1ccc(CNC2(CNC(=O)/C=C/c3ccco3)CC2)cc1C ZINC001754506873 1440616623 /nfs/dbraw/zinc/61/66/23/1440616623.db2.gz WSDRHWRDMGODTA-SOFGYWHQSA-N 0 3 340.423 3.048 20 10 EGCDHN C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593263693 994559880 /nfs/dbraw/zinc/55/98/80/994559880.db2.gz BFQITQSZALZTQZ-OAHLLOKOSA-N 0 3 334.460 3.397 20 10 EGCDHN CCCN(CC(=O)N(C)Cc1cccs1)Cc1ccccc1O ZINC000076073983 453959015 /nfs/dbraw/zinc/95/90/15/453959015.db2.gz LYPZWDWDCFKMFO-UHFFFAOYSA-N 0 3 332.469 3.324 20 10 EGCDHN COc1ccc(N2CCCN(CCc3csc(C)n3)CC2)cc1 ZINC000119357167 454188946 /nfs/dbraw/zinc/18/89/46/454188946.db2.gz KMGKKIUFSZLGMY-UHFFFAOYSA-N 0 3 331.485 3.215 20 10 EGCDHN COc1ccc(CNC[C@@H](c2ccc(C)o2)N2CCOCC2)cc1C ZINC000078302993 454227736 /nfs/dbraw/zinc/22/77/36/454227736.db2.gz GJIOVYHTCCEGTG-SFHVURJKSA-N 0 3 344.455 3.068 20 10 EGCDHN COc1ccc(CN(Cc2ccccc2O)C[C@H]2CCCO2)cc1O ZINC000160183261 455435648 /nfs/dbraw/zinc/43/56/48/455435648.db2.gz PHALWXDIMWXUKB-QGZVFWFLSA-N 0 3 343.423 3.288 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)c1[O-] ZINC000184733535 455438576 /nfs/dbraw/zinc/43/85/76/455438576.db2.gz BLBUTWMLIWJJNQ-CYBMUJFWSA-N 0 3 349.862 3.242 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H](Cc3nccn3C)C2)c1[O-] ZINC000184733535 455438581 /nfs/dbraw/zinc/43/85/81/455438581.db2.gz BLBUTWMLIWJJNQ-CYBMUJFWSA-N 0 3 349.862 3.242 20 10 EGCDHN COc1cccc(C[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)c1[O-] ZINC000093336929 454704692 /nfs/dbraw/zinc/70/46/92/454704692.db2.gz FYGWETQXSZFAPW-GOSISDBHSA-N 0 3 340.467 3.355 20 10 EGCDHN COc1cccc(C[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)c1[O-] ZINC000093336929 454704694 /nfs/dbraw/zinc/70/46/94/454704694.db2.gz FYGWETQXSZFAPW-GOSISDBHSA-N 0 3 340.467 3.355 20 10 EGCDHN COCc1ccc([C@@H]2CCCN2Cc2cc(OC)c(OC)cc2O)o1 ZINC000137082102 454768226 /nfs/dbraw/zinc/76/82/26/454768226.db2.gz GBIQSHBFEZDHBK-HNNXBMFYSA-N 0 3 347.411 3.486 20 10 EGCDHN CCC(=O)N1CC[C@@H](N[C@@H](C)c2ccc(N3CCCCC3)c(F)c2)C1 ZINC000126395350 454891030 /nfs/dbraw/zinc/89/10/30/454891030.db2.gz OTMOXGRJLNWRAM-DOTOQJQBSA-N 0 3 347.478 3.478 20 10 EGCDHN C[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccc(Br)cc1[O-] ZINC000184997841 455483587 /nfs/dbraw/zinc/48/35/87/455483587.db2.gz KHZAXWKJTMZWQD-NEPJUHHUSA-N 0 3 339.277 3.290 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]C2CCN(Cc3ccccn3)CC2)c([O-])c1 ZINC000185053931 455493284 /nfs/dbraw/zinc/49/32/84/455493284.db2.gz WEWTVZNEHPJZOT-MRXNPFEDSA-N 0 3 325.456 3.411 20 10 EGCDHN C[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)[C@H](N)c1ccccc1 ZINC000178710672 454967965 /nfs/dbraw/zinc/96/79/65/454967965.db2.gz AITKHVXJWIWNQB-UZLBHIALSA-N 0 3 337.467 3.239 20 10 EGCDHN [O-]c1ccccc1C[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000179565950 455058683 /nfs/dbraw/zinc/05/86/83/455058683.db2.gz QICZLAOFHRWLRG-UHFFFAOYSA-N 0 3 336.395 3.217 20 10 EGCDHN C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1=O)c1ccccc1[O-] ZINC000179902070 455096174 /nfs/dbraw/zinc/09/61/74/455096174.db2.gz SCIBDKXRGORYKP-CZUORRHYSA-N 0 3 328.387 3.378 20 10 EGCDHN COC[C@H](NC1CCN(c2ccc(OC)cc2)CC1)c1ccco1 ZINC000156628001 455140034 /nfs/dbraw/zinc/14/00/34/455140034.db2.gz YQRMIFRQNHOGBA-SFHVURJKSA-N 0 3 330.428 3.234 20 10 EGCDHN CCc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccccc3[O-])C2)ncn1 ZINC000183601957 455309835 /nfs/dbraw/zinc/30/98/35/455309835.db2.gz VIKAUABZFBNOSA-GOEBONIOSA-N 0 3 326.444 3.064 20 10 EGCDHN C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1cc(F)ccc1[O-] ZINC000185072395 455496293 /nfs/dbraw/zinc/49/62/93/455496293.db2.gz KBHMWSMMPRHZBJ-CYBMUJFWSA-N 0 3 348.393 3.358 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C2CCN(C(=O)CC(C)C)CC2)c1 ZINC000185215064 455522522 /nfs/dbraw/zinc/52/25/22/455522522.db2.gz BSYJLOPROCKRBR-CQSZACIVSA-N 0 3 334.460 3.089 20 10 EGCDHN COc1cc(OC)cc([C@@H](O)C[NH2+][C@H](C)c2ccc(C)cc2[O-])c1 ZINC000185487290 455564490 /nfs/dbraw/zinc/56/44/90/455564490.db2.gz BYSKGUBZNUBUEB-YJYMSZOUSA-N 0 3 331.412 3.102 20 10 EGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCNc2nccc(C(F)(F)F)n2)c1 ZINC000185498488 455568739 /nfs/dbraw/zinc/56/87/39/455568739.db2.gz UMODQFUYNCSVBH-NSHDSACASA-N 0 3 340.349 3.272 20 10 EGCDHN CC(=O)c1cc(F)cc(C[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)c1[O-] ZINC000185726105 455607874 /nfs/dbraw/zinc/60/78/74/455607874.db2.gz VUDUXUKYRXDUAR-UKRRQHHQSA-N 0 3 348.462 3.477 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)c1 ZINC000192849394 455705363 /nfs/dbraw/zinc/70/53/63/455705363.db2.gz NZGGZFAJHHEQGC-RYUDHWBXSA-N 0 3 329.400 3.303 20 10 EGCDHN C[C@@H](NCc1ccc(N(C)C)cc1)c1cccc(N2CCOCC2)c1 ZINC000268750505 455712408 /nfs/dbraw/zinc/71/24/08/455712408.db2.gz VDPIYDJVGAEZKE-QGZVFWFLSA-N 0 3 339.483 3.440 20 10 EGCDHN C[C@H](NCc1ccc(N(C)C)cc1)c1cccc(N2CCOCC2)c1 ZINC000268750503 455713214 /nfs/dbraw/zinc/71/32/14/455713214.db2.gz VDPIYDJVGAEZKE-KRWDZBQOSA-N 0 3 339.483 3.440 20 10 EGCDHN C[C@H](NCc1cccc(C(=O)NC2CC2)c1)c1ccc(N(C)C)cc1 ZINC000268795874 455714599 /nfs/dbraw/zinc/71/45/99/455714599.db2.gz DJWVGPPDABFIDL-HNNXBMFYSA-N 0 3 337.467 3.496 20 10 EGCDHN C[C@H](NC[C@H](O)c1cnn(C)c1)c1ccc(N2CCCCCC2)cc1 ZINC000268904102 455724934 /nfs/dbraw/zinc/72/49/34/455724934.db2.gz PGLHCCZYLZKNJH-JXFKEZNVSA-N 0 3 342.487 3.185 20 10 EGCDHN CCCOc1ccc(CN2CCOC[C@@H]2[C@H]2CCC[C@@H]2OC)c(O)c1 ZINC000284791912 455743051 /nfs/dbraw/zinc/74/30/51/455743051.db2.gz ZFZATASQXCZBKW-GGPKGHCWSA-N 0 3 349.471 3.197 20 10 EGCDHN COc1ccc([C@@H](OC)[C@@H](C)[NH2+]Cc2cc(OC)ccc2[O-])cc1 ZINC000271775324 455754576 /nfs/dbraw/zinc/75/45/76/455754576.db2.gz CMFKAJPLJFZYJI-YJYMSZOUSA-N 0 3 331.412 3.275 20 10 EGCDHN COc1ccc([O-])c(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)c1 ZINC000271859299 455789169 /nfs/dbraw/zinc/78/91/69/455789169.db2.gz YGUSJJCAZQVARE-FQEVSTJZSA-N 0 3 327.424 3.346 20 10 EGCDHN Oc1ccccc1CNCc1c(Cl)cccc1N1CCOCC1 ZINC000293564535 455791297 /nfs/dbraw/zinc/79/12/97/455791297.db2.gz MLOTUDZAOQPHIU-UHFFFAOYSA-N 0 3 332.831 3.172 20 10 EGCDHN C[C@H](NC[C@H]1CC[C@@H](CO)O1)c1ccc(N2CCCCC2)c(F)c1 ZINC000293723934 455795416 /nfs/dbraw/zinc/79/54/16/455795416.db2.gz NUJCSXXJFGYKBH-UAGQMJEPSA-N 0 3 336.451 3.007 20 10 EGCDHN [O-]c1ccccc1C[N@H+](C[C@H](O)c1ccccc1)C[C@H]1CCCO1 ZINC000252442978 455804486 /nfs/dbraw/zinc/80/44/86/455804486.db2.gz KPSRRIBWILTMJS-QUCCMNQESA-N 0 3 327.424 3.107 20 10 EGCDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)c1ccccc1)C[C@H]1CCCO1 ZINC000252442978 455804490 /nfs/dbraw/zinc/80/44/90/455804490.db2.gz KPSRRIBWILTMJS-QUCCMNQESA-N 0 3 327.424 3.107 20 10 EGCDHN CCCOc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c([O-])c1 ZINC000278429362 455835466 /nfs/dbraw/zinc/83/54/66/455835466.db2.gz SYSFFEBXVFNKAC-CZUORRHYSA-N 0 3 347.377 3.316 20 10 EGCDHN CCCOc1ccc(C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c([O-])c1 ZINC000278429362 455835472 /nfs/dbraw/zinc/83/54/72/455835472.db2.gz SYSFFEBXVFNKAC-CZUORRHYSA-N 0 3 347.377 3.316 20 10 EGCDHN CC(C)Oc1cccc([C@H](O)C[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000295787580 455859456 /nfs/dbraw/zinc/85/94/56/455859456.db2.gz ACCRWQBJMFBFHI-IEBWSBKVSA-N 0 3 327.424 3.490 20 10 EGCDHN CC[C@@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)c1ccc(C)cc1[O-] ZINC000279945215 455877855 /nfs/dbraw/zinc/87/78/55/455877855.db2.gz BKEKFAXITDQPCX-GOSISDBHSA-N 0 3 347.480 3.356 20 10 EGCDHN CC[C@H]([NH2+]CC1(N2CCCC2)CCOCC1)c1ccc(C)cc1[O-] ZINC000280097674 455890838 /nfs/dbraw/zinc/89/08/38/455890838.db2.gz MWUGHQDAHYCORA-SFHVURJKSA-N 0 3 332.488 3.386 20 10 EGCDHN CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1ccc(C)cc1[O-] ZINC000280121841 455896948 /nfs/dbraw/zinc/89/69/48/455896948.db2.gz OIDNQFOIECHKNH-SFHVURJKSA-N 0 3 341.455 3.173 20 10 EGCDHN C[C@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C[C@@]2(CCOC2)O1 ZINC000280325436 455947504 /nfs/dbraw/zinc/94/75/04/455947504.db2.gz QSDNKZOIUNKZAI-HRAATJIYSA-N 0 3 339.435 3.439 20 10 EGCDHN C[C@H]1C[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C[C@@]2(CCOC2)O1 ZINC000280325436 455947510 /nfs/dbraw/zinc/94/75/10/455947510.db2.gz QSDNKZOIUNKZAI-HRAATJIYSA-N 0 3 339.435 3.439 20 10 EGCDHN C[C@H](C[S@](C)=O)N(C)Cc1ccc(OCc2ccccc2)cc1O ZINC000187838959 455960154 /nfs/dbraw/zinc/96/01/54/455960154.db2.gz SKUQPHLTXFXWMD-MYYSRTQBSA-N 0 3 347.480 3.170 20 10 EGCDHN Cc1ccc(CN2CC[C@@H]([NH2+][C@H]3CCc4cccc([O-])c43)C2=O)cc1 ZINC000296576768 455979080 /nfs/dbraw/zinc/97/90/80/455979080.db2.gz VPXJDVPSWFBMJV-ZWKOTPCHSA-N 0 3 336.435 3.079 20 10 EGCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CCCC2(C1)OCCO2 ZINC000272752348 456061096 /nfs/dbraw/zinc/06/10/96/456061096.db2.gz KAQHTQUGQUEZND-UHFFFAOYSA-N 0 3 325.408 3.398 20 10 EGCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CCCC2(C1)OCCO2 ZINC000272752348 456061101 /nfs/dbraw/zinc/06/11/01/456061101.db2.gz KAQHTQUGQUEZND-UHFFFAOYSA-N 0 3 325.408 3.398 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+]C[C@H]2CCOC[C@@H]2C)c1[O-] ZINC000289186297 456117868 /nfs/dbraw/zinc/11/78/68/456117868.db2.gz AOYPJTNGXFZGMZ-NWDGAFQWSA-N 0 3 328.250 3.225 20 10 EGCDHN COc1cccc(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])c1[O-] ZINC000289452504 456125607 /nfs/dbraw/zinc/12/56/07/456125607.db2.gz NIACEHZGATXHSW-ZDUSSCGKSA-N 0 3 330.384 3.420 20 10 EGCDHN COc1cccc(CN(CCN(C)C)Cc2ccccc2F)c1O ZINC000289771112 456140867 /nfs/dbraw/zinc/14/08/67/456140867.db2.gz KNVLZASIFULQSG-UHFFFAOYSA-N 0 3 332.419 3.104 20 10 EGCDHN COc1cccc(CN2CCC[C@H](Oc3ccccc3OC)C2)c1O ZINC000289929608 456185442 /nfs/dbraw/zinc/18/54/42/456185442.db2.gz XVZCQBQICYCBFG-INIZCTEOSA-N 0 3 343.423 3.453 20 10 EGCDHN CCOc1c(OC)cc(CNCc2cccc(OC)c2O)cc1OC ZINC000263707793 456198361 /nfs/dbraw/zinc/19/83/61/456198361.db2.gz SWLXEALXUDJUSO-UHFFFAOYSA-N 0 3 347.411 3.107 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)c([O-])c1 ZINC000273370836 456225108 /nfs/dbraw/zinc/22/51/08/456225108.db2.gz FZTBSYVZXWVVFZ-CQSZACIVSA-N 0 3 333.453 3.096 20 10 EGCDHN CCN1CCC([NH2+][C@H](C)c2cc(Br)ccc2[O-])CC1 ZINC000273369810 456226039 /nfs/dbraw/zinc/22/60/39/456226039.db2.gz FTXWEXBKEAZMAI-LLVKDONJSA-N 0 3 327.266 3.290 20 10 EGCDHN C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1)c1ccc(F)cc1[O-] ZINC000273536972 456237712 /nfs/dbraw/zinc/23/77/12/456237712.db2.gz XOJXOZVMXSUQTC-CZUORRHYSA-N 0 3 344.434 3.240 20 10 EGCDHN C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])c1ccc2c(c1)CC(=O)N2C ZINC000273574612 456239588 /nfs/dbraw/zinc/23/95/88/456239588.db2.gz LKFMQNMKOWRAQG-VXGBXAGGSA-N 0 3 328.387 3.462 20 10 EGCDHN COc1ccc(N2CCC([NH2+]Cc3cccc(OC)c3[O-])CC2)cc1 ZINC000237262457 456256646 /nfs/dbraw/zinc/25/66/46/456256646.db2.gz HDDPDAUIXJUNRD-UHFFFAOYSA-N 0 3 342.439 3.168 20 10 EGCDHN CC1CCN(c2ccc(CNCc3c[nH]c4nccnc34)cc2)CC1 ZINC000290925081 456468847 /nfs/dbraw/zinc/46/88/47/456468847.db2.gz RADTVLALLKMMRW-UHFFFAOYSA-N 0 3 335.455 3.484 20 10 EGCDHN Cc1c2ccccc2n(C)c1CNCc1ccc2c(c1)NC(=O)CO2 ZINC000353256369 456590079 /nfs/dbraw/zinc/59/00/79/456590079.db2.gz QXSDKKOCRKRQIW-UHFFFAOYSA-N 0 3 335.407 3.107 20 10 EGCDHN C[C@@H](N[C@@H](C)c1ccc(N2CCCCCC2)cc1)C(=O)NCCF ZINC000282946788 456672522 /nfs/dbraw/zinc/67/25/22/456672522.db2.gz ZBQPJFWDTHVUFP-JKSUJKDBSA-N 0 3 335.467 3.192 20 10 EGCDHN COc1cccc(CNCc2cc(O)cc(C(F)(F)F)c2)c1O ZINC000291631068 456701294 /nfs/dbraw/zinc/70/12/94/456701294.db2.gz SHQJTVAUEKCKFX-UHFFFAOYSA-N 0 3 327.302 3.415 20 10 EGCDHN c1ccc(O[C@@H]2CCN(Cc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC000374257016 457549104 /nfs/dbraw/zinc/54/91/04/457549104.db2.gz BWYPPXIPFQGEPW-OAQYLSRUSA-N 0 3 338.451 3.177 20 10 EGCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@@H]([NH2+][C@H]2CCSC2)C1 ZINC000366299320 457805904 /nfs/dbraw/zinc/80/59/04/457805904.db2.gz NHZWVUCVLSZFOC-CABCVRRESA-N 0 3 326.893 3.105 20 10 EGCDHN CN(C)c1ccc(CN2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cc1F ZINC000371465562 457946151 /nfs/dbraw/zinc/94/61/51/457946151.db2.gz FQKKWSQZUQKKEK-OAHLLOKOSA-N 0 3 343.450 3.267 20 10 EGCDHN COc1ccc([O-])c(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c1 ZINC000368036115 458006937 /nfs/dbraw/zinc/00/69/37/458006937.db2.gz IDWWKEDDOBLWCQ-VAMGGRTRSA-N 0 3 339.435 3.405 20 10 EGCDHN COc1ccc([O-])c(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c1 ZINC000368036115 458006940 /nfs/dbraw/zinc/00/69/40/458006940.db2.gz IDWWKEDDOBLWCQ-VAMGGRTRSA-N 0 3 339.435 3.405 20 10 EGCDHN COc1cccc(C[NH2+][C@@H]2CCN([C@@H](C)c3ccccc3)C2)c1[O-] ZINC000369037427 458072956 /nfs/dbraw/zinc/07/29/56/458072956.db2.gz XEWKVMGCJNVBBZ-MAUKXSAKSA-N 0 3 326.440 3.326 20 10 EGCDHN CN1CCC[C@H](CNC(=O)Cc2ccc(N)cc2)[C@H]1c1cccs1 ZINC000372105433 458196452 /nfs/dbraw/zinc/19/64/52/458196452.db2.gz LTOGDPFAHOUYBF-BEFAXECRSA-N 0 3 343.496 3.072 20 10 EGCDHN COc1ccccc1CN1CCN(Cc2cc(C)c(C)cc2O)CC1 ZINC000728048918 574713786 /nfs/dbraw/zinc/71/37/86/574713786.db2.gz BCZGFLPUITZAKG-UHFFFAOYSA-N 0 3 340.467 3.335 20 10 EGCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@H]2C(C)(C)C)cc1 ZINC000729543009 574870343 /nfs/dbraw/zinc/87/03/43/574870343.db2.gz ALGXZNDOUAVKFL-SFHVURJKSA-N 0 3 331.504 3.222 20 10 EGCDHN COC(=O)[C@@H]1CC12CC[NH+](Cc1c([O-])ccc3ccccc31)CC2 ZINC000733792148 575390051 /nfs/dbraw/zinc/39/00/51/575390051.db2.gz WMCXTRQLAXMVCG-KRWDZBQOSA-N 0 3 325.408 3.321 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](Cc3ccc(F)cc3)C1)OCO2 ZINC000736594120 575988090 /nfs/dbraw/zinc/98/80/90/575988090.db2.gz JPUTYQMTXGJUCC-AWEZNQCLSA-N 0 3 329.371 3.325 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](Cc3ccc(F)cc3)C1)OCO2 ZINC000736594120 575988092 /nfs/dbraw/zinc/98/80/92/575988092.db2.gz JPUTYQMTXGJUCC-AWEZNQCLSA-N 0 3 329.371 3.325 20 10 EGCDHN COc1cccc([O-])c1C[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000736641226 575997328 /nfs/dbraw/zinc/99/73/28/575997328.db2.gz DAJGNNZUCKEKRP-UHFFFAOYSA-N 0 3 341.436 3.252 20 10 EGCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(CN(C)C)c1 ZINC000741284526 576672006 /nfs/dbraw/zinc/67/20/06/576672006.db2.gz SZPLWGPSBHGSRP-UHFFFAOYSA-N 0 3 339.483 3.477 20 10 EGCDHN CCN(CC)c1ccc(CNCCC(=O)Nc2ccccn2)cc1 ZINC000742696612 576793543 /nfs/dbraw/zinc/79/35/43/576793543.db2.gz FFVZTQJXAKMPKF-UHFFFAOYSA-N 0 3 326.444 3.046 20 10 EGCDHN CN(C)c1ccc(CN(C)C(=O)CN2C3CCCC2CCC3)cc1 ZINC000743851280 576816881 /nfs/dbraw/zinc/81/68/81/576816881.db2.gz CNQCURQMXUJSPJ-UHFFFAOYSA-N 0 3 329.488 3.118 20 10 EGCDHN C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(N(C)C)cc1 ZINC000820412253 607085377 /nfs/dbraw/zinc/08/53/77/607085377.db2.gz LGFAHEUQVIINNI-KGLIPLIRSA-N 0 3 336.443 3.345 20 10 EGCDHN C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(N(C)C)cc1 ZINC000820412253 607085378 /nfs/dbraw/zinc/08/53/78/607085378.db2.gz LGFAHEUQVIINNI-KGLIPLIRSA-N 0 3 336.443 3.345 20 10 EGCDHN COc1cc(Br)cc(C[N@H+](C)[C@H](CO)C(C)(C)C)c1[O-] ZINC000093821803 1292933200 /nfs/dbraw/zinc/93/32/00/1292933200.db2.gz FLGGKOPHIVEZFD-CYBMUJFWSA-N 0 3 346.265 3.002 20 10 EGCDHN COc1cc(Br)cc(C[N@@H+](C)[C@H](CO)C(C)(C)C)c1[O-] ZINC000093821803 1292933213 /nfs/dbraw/zinc/93/32/13/1292933213.db2.gz FLGGKOPHIVEZFD-CYBMUJFWSA-N 0 3 346.265 3.002 20 10 EGCDHN FC(F)Oc1ccc(N2CCC(N[C@H]3CCn4ccnc43)CC2)cc1 ZINC000834558238 1293117226 /nfs/dbraw/zinc/11/72/26/1293117226.db2.gz DNJDKUSRLDSGME-INIZCTEOSA-N 0 3 348.397 3.188 20 10 EGCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCCc1ccc3c(c1)OCCO3)CC2 ZINC000834680876 1293132797 /nfs/dbraw/zinc/13/27/97/1293132797.db2.gz NFEZGZMCTHSSEO-INIZCTEOSA-N 0 3 325.408 3.373 20 10 EGCDHN CCS(=O)(=O)c1ccc(CN[C@@H]2CCc3cccc(O)c32)s1 ZINC000834790469 1293149347 /nfs/dbraw/zinc/14/93/47/1293149347.db2.gz QDNDNEVCRXRDTM-CYBMUJFWSA-N 0 3 337.466 3.024 20 10 EGCDHN O=C(/C=C\c1ccccc1)NCCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834793492 1293149665 /nfs/dbraw/zinc/14/96/65/1293149665.db2.gz AGERUBVGXQFSKA-GFBZKKKVSA-N 0 3 336.435 3.189 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+](Cc2cnn(C)c2)CC(C)C)c1[O-] ZINC000835077163 1293202295 /nfs/dbraw/zinc/20/22/95/1293202295.db2.gz QEUCOUKHHBYVCK-UHFFFAOYSA-N 0 3 337.851 3.446 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+](Cc2cnn(C)c2)CC(C)C)c1[O-] ZINC000835077163 1293202297 /nfs/dbraw/zinc/20/22/97/1293202297.db2.gz QEUCOUKHHBYVCK-UHFFFAOYSA-N 0 3 337.851 3.446 20 10 EGCDHN COc1cc(Cl)cc(CN(Cc2cnn(C)c2)CC(C)C)c1O ZINC000835077163 1293202299 /nfs/dbraw/zinc/20/22/99/1293202299.db2.gz QEUCOUKHHBYVCK-UHFFFAOYSA-N 0 3 337.851 3.446 20 10 EGCDHN CN(Cc1ccc(N(C)C)cc1)Cc1ccccc1N1CCOCC1 ZINC000128503495 1293595679 /nfs/dbraw/zinc/59/56/79/1293595679.db2.gz YVSUYUYSSYDMBW-UHFFFAOYSA-N 0 3 339.483 3.221 20 10 EGCDHN CCCN(CC(=O)NCc1ccccc1C)Cc1ccccc1O ZINC000130735956 1293666864 /nfs/dbraw/zinc/66/68/64/1293666864.db2.gz JNHMYJUYJHEKKA-UHFFFAOYSA-N 0 3 326.440 3.229 20 10 EGCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC(C4OCCO4)CC3)c2c1 ZINC000152285719 1293962228 /nfs/dbraw/zinc/96/22/28/1293962228.db2.gz UPPLZRHQLDEYFH-UHFFFAOYSA-N 0 3 343.423 3.139 20 10 EGCDHN O[C@](CNCc1ccc2c(c1)CCO2)(c1ccccc1)C(F)(F)F ZINC000170790622 1294382307 /nfs/dbraw/zinc/38/23/07/1294382307.db2.gz NLDZORGRBMHAAB-QGZVFWFLSA-N 0 3 337.341 3.161 20 10 EGCDHN Cc1c([C@H](C)N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)cnn1C ZINC000177958834 1294705766 /nfs/dbraw/zinc/70/57/66/1294705766.db2.gz HFWWRAMNHBGJPS-KGLIPLIRSA-N 0 3 346.450 3.116 20 10 EGCDHN C[C@@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1cc(F)ccc1[O-] ZINC000185063501 1295238770 /nfs/dbraw/zinc/23/87/70/1295238770.db2.gz QYEASPDHOYHVTN-OAHLLOKOSA-N 0 3 344.430 3.214 20 10 EGCDHN CN(C)CCN(C(=O)/C=C\c1ccc(Cl)nc1)c1ccccc1 ZINC000255318988 1296518585 /nfs/dbraw/zinc/51/85/85/1296518585.db2.gz PNBLSZPPLMATDI-LUAWRHEFSA-N 0 3 329.831 3.343 20 10 EGCDHN COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000872136101 1296760528 /nfs/dbraw/zinc/76/05/28/1296760528.db2.gz JLPLLEXNNSZXNJ-XEKQOVJPSA-N 0 3 331.412 3.182 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000872267289 1296869499 /nfs/dbraw/zinc/86/94/99/1296869499.db2.gz XPTYMUVWYAOQFU-HDICACEKSA-N 0 3 325.408 3.049 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000872267289 1296869527 /nfs/dbraw/zinc/86/95/27/1296869527.db2.gz XPTYMUVWYAOQFU-HDICACEKSA-N 0 3 325.408 3.049 20 10 EGCDHN C[C@@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)CN(C)C(=O)OC(C)(C)C ZINC000310558533 1297093971 /nfs/dbraw/zinc/09/39/71/1297093971.db2.gz JCPGJZLITGRRKV-DZGCQCFKSA-N 0 3 334.460 3.472 20 10 EGCDHN C[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCO1)c1cc(F)ccc1[O-] ZINC000311844319 1297113391 /nfs/dbraw/zinc/11/33/91/1297113391.db2.gz OCOZIZOIZHHCQF-QAPCUYQASA-N 0 3 344.430 3.083 20 10 EGCDHN C[C@@H](CN1CCCCC1)[NH2+]Cc1c([O-])cccc1Br ZINC000706875371 1298225197 /nfs/dbraw/zinc/22/51/97/1298225197.db2.gz WHZADUDZHITFRR-LBPRGKRZSA-N 0 3 327.266 3.119 20 10 EGCDHN COc1cc(Br)cc(C[NH2+]CCc2ccc(C)o2)c1[O-] ZINC000725847790 1298374267 /nfs/dbraw/zinc/37/42/67/1298374267.db2.gz QLQKBZOWHPZZOR-UHFFFAOYSA-N 0 3 340.217 3.397 20 10 EGCDHN Cc1cccc([O-])c1C[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000876614907 1298869627 /nfs/dbraw/zinc/86/96/27/1298869627.db2.gz WHEWKYVEFBEVME-OAHLLOKOSA-N 0 3 330.472 3.171 20 10 EGCDHN Cc1cccc([O-])c1C[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000876621502 1298875928 /nfs/dbraw/zinc/87/59/28/1298875928.db2.gz APWFVTHYAWSMCL-UHFFFAOYSA-N 0 3 330.472 3.171 20 10 EGCDHN Cc1ccc(C[NH2+]C[C@@H](c2ccc(F)cc2)N2CCOCC2)c([O-])c1 ZINC000876892237 1299053329 /nfs/dbraw/zinc/05/33/29/1299053329.db2.gz IENPILMUTYTVEN-IBGZPJMESA-N 0 3 344.430 3.003 20 10 EGCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000876895127 1299054475 /nfs/dbraw/zinc/05/44/75/1299054475.db2.gz YVZLXBMGVQANTN-IBGZPJMESA-N 0 3 344.430 3.003 20 10 EGCDHN C[C@H](NCc1ccc(Cl)nc1)c1ccc(N2CCOCC2)cc1 ZINC000749322988 1299193911 /nfs/dbraw/zinc/19/39/11/1299193911.db2.gz JIZHSBVSDXCQGF-AWEZNQCLSA-N 0 3 331.847 3.422 20 10 EGCDHN Cc1ccc(C[N@@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c([O-])c1 ZINC000877537484 1299378285 /nfs/dbraw/zinc/37/82/85/1299378285.db2.gz LZFFVYVJLAJQTG-HXUWFJFHSA-N 0 3 329.415 3.267 20 10 EGCDHN Cc1ccc(C[N@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c([O-])c1 ZINC000877537484 1299378293 /nfs/dbraw/zinc/37/82/93/1299378293.db2.gz LZFFVYVJLAJQTG-HXUWFJFHSA-N 0 3 329.415 3.267 20 10 EGCDHN Cc1ccc(C[NH2+][C@H](C)c2ccc(N3CCCNC3=O)cc2)c([O-])c1 ZINC000877543227 1299384359 /nfs/dbraw/zinc/38/43/59/1299384359.db2.gz AGMIVPSEEUMDDK-OAHLLOKOSA-N 0 3 339.439 3.471 20 10 EGCDHN C[C@H]1C[C@@H](NC(=O)c2cc([O-])cs2)CC[N@@H+]1Cc1ccccc1 ZINC000751071053 1299507649 /nfs/dbraw/zinc/50/76/49/1299507649.db2.gz RKLPZHNLXDDJQO-ZFWWWQNUSA-N 0 3 330.453 3.237 20 10 EGCDHN C[C@H]1C[C@@H](NC(=O)c2cc([O-])cs2)CC[N@H+]1Cc1ccccc1 ZINC000751071053 1299507656 /nfs/dbraw/zinc/50/76/56/1299507656.db2.gz RKLPZHNLXDDJQO-ZFWWWQNUSA-N 0 3 330.453 3.237 20 10 EGCDHN C[C@H]1C[C@@H](NC(=O)C2=CC(=O)CS2)CCN1Cc1ccccc1 ZINC000751071053 1299507663 /nfs/dbraw/zinc/50/76/63/1299507663.db2.gz RKLPZHNLXDDJQO-ZFWWWQNUSA-N 0 3 330.453 3.237 20 10 EGCDHN COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000877756441 1299533279 /nfs/dbraw/zinc/53/32/79/1299533279.db2.gz IRBYLEMFAHFAIA-UONOGXRCSA-N 0 3 328.412 3.469 20 10 EGCDHN C[C@]1(C[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CCOC1 ZINC000753566728 1299975442 /nfs/dbraw/zinc/97/54/42/1299975442.db2.gz UKCHSDIOMLCOCF-HXUWFJFHSA-N 0 3 327.424 3.487 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@H](CO)CC1CC1 ZINC000753570209 1299976305 /nfs/dbraw/zinc/97/63/05/1299976305.db2.gz ISTANWMVEJHMFX-SFHVURJKSA-N 0 3 327.424 3.222 20 10 EGCDHN C[C@H]1C[C@@H](CCNC(=O)c2cc([O-])cs2)C[N@@H+]1Cc1ccccc1 ZINC000753831633 1300028003 /nfs/dbraw/zinc/02/80/03/1300028003.db2.gz VWYFKCSTXZKROY-GOEBONIOSA-N 0 3 344.480 3.484 20 10 EGCDHN C[C@H]1C[C@@H](CCNC(=O)c2cc([O-])cs2)C[N@H+]1Cc1ccccc1 ZINC000753831633 1300028014 /nfs/dbraw/zinc/02/80/14/1300028014.db2.gz VWYFKCSTXZKROY-GOEBONIOSA-N 0 3 344.480 3.484 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+]CCCN2CCCCCC2=O)c2c1c(F)ccc2[O-] ZINC000756370386 1300478426 /nfs/dbraw/zinc/47/84/26/1300478426.db2.gz GGDUFXFPNODKPI-HIFRSBDPSA-N 0 3 334.435 3.462 20 10 EGCDHN COCCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)cn1 ZINC000756430997 1300488784 /nfs/dbraw/zinc/48/87/84/1300488784.db2.gz AOSAFZWBINTCQM-IUODEOHRSA-N 0 3 346.402 3.290 20 10 EGCDHN Cc1cccc(OC[C@H](O)C[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)c1 ZINC000756453663 1300494990 /nfs/dbraw/zinc/49/49/90/1300494990.db2.gz HQMOPNWVLHBDCA-JJRVBVJISA-N 0 3 345.414 3.418 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)c2c1c(F)ccc2[O-] ZINC000756474264 1300499890 /nfs/dbraw/zinc/49/98/90/1300499890.db2.gz HWXQSHKKVWAZFS-XJKCOSOUSA-N 0 3 340.398 3.475 20 10 EGCDHN COCCCN1CCC([NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)CC1 ZINC000756527979 1300514502 /nfs/dbraw/zinc/51/45/02/1300514502.db2.gz LMLXRSHVTUFOGO-CZUORRHYSA-N 0 3 336.451 3.170 20 10 EGCDHN C[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)c1cc(Br)ccc1[O-] ZINC000756609977 1300532462 /nfs/dbraw/zinc/53/24/62/1300532462.db2.gz GRGBTDPVZHKHOR-NTZNESFSSA-N 0 3 327.266 3.288 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)c2c1c(F)ccc2[O-] ZINC000756737925 1300557131 /nfs/dbraw/zinc/55/71/31/1300557131.db2.gz HZAOOTSJGDUZAA-NMKXLXIOSA-N 0 3 341.448 3.025 20 10 EGCDHN CCOc1ccc(CN(C)C(=O)C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000879648999 1300649924 /nfs/dbraw/zinc/64/99/24/1300649924.db2.gz ITMPKIPFOMBRTC-OAHLLOKOSA-N 0 3 342.439 3.100 20 10 EGCDHN CCOc1ccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)c([O-])c1 ZINC000762613942 1301713215 /nfs/dbraw/zinc/71/32/15/1301713215.db2.gz LHPHDNQNBSAQRY-BMFZPTHFSA-N 0 3 325.499 3.260 20 10 EGCDHN COCC(=O)Nc1cccc(CN[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000764761235 1302129045 /nfs/dbraw/zinc/12/90/45/1302129045.db2.gz LBJDHCKEWNHDQM-OAHLLOKOSA-N 0 3 341.455 3.188 20 10 EGCDHN Cc1nccn1CCN[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765514260 1302276212 /nfs/dbraw/zinc/27/62/12/1302276212.db2.gz NTLKWXVNKKJJDV-CQSZACIVSA-N 0 3 348.878 3.032 20 10 EGCDHN CCOc1ccc(C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c([O-])c1 ZINC000768438967 1302900526 /nfs/dbraw/zinc/90/05/26/1302900526.db2.gz CLDTWUUKAUHIJU-UHFFFAOYSA-N 0 3 340.423 3.054 20 10 EGCDHN CCOc1ccc(C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c([O-])c1 ZINC000768438967 1302900541 /nfs/dbraw/zinc/90/05/41/1302900541.db2.gz CLDTWUUKAUHIJU-UHFFFAOYSA-N 0 3 340.423 3.054 20 10 EGCDHN Cc1ccc([C@H]2CCC[N@@H+]2Cc2cc3c(cc2[O-])OC[C@@H]3O)cc1 ZINC000768441496 1302903998 /nfs/dbraw/zinc/90/39/98/1302903998.db2.gz MGYAPCGXTWNRTH-MJGOQNOKSA-N 0 3 325.408 3.464 20 10 EGCDHN Cc1ccc([C@H]2CCC[N@H+]2Cc2cc3c(cc2[O-])OC[C@@H]3O)cc1 ZINC000768441496 1302904005 /nfs/dbraw/zinc/90/40/05/1302904005.db2.gz MGYAPCGXTWNRTH-MJGOQNOKSA-N 0 3 325.408 3.464 20 10 EGCDHN Cc1ccccc1C[C@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768445680 1302905861 /nfs/dbraw/zinc/90/58/61/1302905861.db2.gz GMNICPZNLCFYDB-XLIONFOSSA-N 0 3 339.435 3.334 20 10 EGCDHN Cc1ccccc1C[C@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768445680 1302905865 /nfs/dbraw/zinc/90/58/65/1302905865.db2.gz GMNICPZNLCFYDB-XLIONFOSSA-N 0 3 339.435 3.334 20 10 EGCDHN CC(C)(C)OC(=O)N[C@H]1CCN(Cc2cc3c(cc2O)CCCC3)C1 ZINC000768452134 1302909409 /nfs/dbraw/zinc/90/94/09/1302909409.db2.gz OYWAJHIGHIVKSY-KRWDZBQOSA-N 0 3 346.471 3.370 20 10 EGCDHN CCCC[N@H+](CCOC)Cc1cc(Br)cc(OC)c1[O-] ZINC000769389358 1303103426 /nfs/dbraw/zinc/10/34/26/1303103426.db2.gz NHYOOTUJLUIPLT-UHFFFAOYSA-N 0 3 346.265 3.412 20 10 EGCDHN CCCC[N@@H+](CCOC)Cc1cc(Br)cc(OC)c1[O-] ZINC000769389358 1303103431 /nfs/dbraw/zinc/10/34/31/1303103431.db2.gz NHYOOTUJLUIPLT-UHFFFAOYSA-N 0 3 346.265 3.412 20 10 EGCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c([O-])c1 ZINC000769386656 1303103834 /nfs/dbraw/zinc/10/38/34/1303103834.db2.gz DLXUCHKXGKACNK-HNNXBMFYSA-N 0 3 348.487 3.165 20 10 EGCDHN CCOc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c([O-])c1 ZINC000769386656 1303103840 /nfs/dbraw/zinc/10/38/40/1303103840.db2.gz DLXUCHKXGKACNK-HNNXBMFYSA-N 0 3 348.487 3.165 20 10 EGCDHN COc1cccc(OC)c1OC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000770510465 1303280413 /nfs/dbraw/zinc/28/04/13/1303280413.db2.gz LWUDBKMENMNYML-UHFFFAOYSA-N 0 3 343.423 3.453 20 10 EGCDHN CCOc1ccc(O)c(CN2CCN(Cc3ccccc3)CC2)c1 ZINC000771926252 1303462166 /nfs/dbraw/zinc/46/21/66/1303462166.db2.gz FAALHGNZEUSQQE-UHFFFAOYSA-N 0 3 326.440 3.109 20 10 EGCDHN C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1)c1c([O-])cccc1F ZINC000886578260 1303509546 /nfs/dbraw/zinc/50/95/46/1303509546.db2.gz PPYHLLKACYZXDW-UKRRQHHQSA-N 0 3 344.434 3.240 20 10 EGCDHN C[C@@H](Cn1cccn1)N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000772949471 1303597666 /nfs/dbraw/zinc/59/76/66/1303597666.db2.gz BLZPKEUWMHXHQJ-GJZGRUSLSA-N 0 3 348.878 3.112 20 10 EGCDHN CCc1cnccc1[C@H](C)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000773428558 1303678869 /nfs/dbraw/zinc/67/88/69/1303678869.db2.gz QEBVUSQTPAKSIZ-HNNXBMFYSA-N 0 3 343.446 3.471 20 10 EGCDHN CCc1cnccc1[C@@H](C)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000773428563 1303679271 /nfs/dbraw/zinc/67/92/71/1303679271.db2.gz QEBVUSQTPAKSIZ-OAHLLOKOSA-N 0 3 343.446 3.471 20 10 EGCDHN CCN(C)c1ccc(CN[C@H](CC(=O)N(C)C)c2ccccc2)cc1 ZINC000773810762 1303740553 /nfs/dbraw/zinc/74/05/53/1303740553.db2.gz KVXFWDBCXNOACJ-HXUWFJFHSA-N 0 3 339.483 3.452 20 10 EGCDHN C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)N(C)Cc1ccccc1 ZINC000774480766 1303815124 /nfs/dbraw/zinc/81/51/24/1303815124.db2.gz DIHIEGRIGCZTEX-IAGOWNOFSA-N 0 3 339.483 3.450 20 10 EGCDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccc(Cl)cn1)c1ccc(N(C)C)cc1 ZINC000774482002 1303815485 /nfs/dbraw/zinc/81/54/85/1303815485.db2.gz DIZNYISVKKEKGV-OLZOCXBDSA-N 0 3 346.862 3.479 20 10 EGCDHN C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)NC1CCC(C)CC1 ZINC000774486771 1303816868 /nfs/dbraw/zinc/81/68/68/1303816868.db2.gz XQUQDBAAOQACJB-GARNVTTQSA-N 0 3 331.504 3.487 20 10 EGCDHN CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2ccc(OCC)cc2[O-])C1 ZINC000775199778 1303923691 /nfs/dbraw/zinc/92/36/91/1303923691.db2.gz GFGFNKBADXOZCS-LJQANCHMSA-N 0 3 335.444 3.202 20 10 EGCDHN CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2ccc(OCC)cc2[O-])C1 ZINC000775199778 1303923692 /nfs/dbraw/zinc/92/36/92/1303923692.db2.gz GFGFNKBADXOZCS-LJQANCHMSA-N 0 3 335.444 3.202 20 10 EGCDHN CCOc1ccc(CN2CCC(Oc3ncccc3F)CC2)c(O)c1 ZINC000775204734 1303925197 /nfs/dbraw/zinc/92/51/97/1303925197.db2.gz CKVPJAWTLCZJJA-UHFFFAOYSA-N 0 3 346.402 3.368 20 10 EGCDHN CCOc1ccc(C[NH+]2CCC(Oc3ncccc3F)CC2)c([O-])c1 ZINC000775204734 1303925201 /nfs/dbraw/zinc/92/52/01/1303925201.db2.gz CKVPJAWTLCZJJA-UHFFFAOYSA-N 0 3 346.402 3.368 20 10 EGCDHN CC[C@H]([NH2+]CCCN1CCN(CC)CC1)c1cc(Cl)ccc1[O-] ZINC000775491708 1303972883 /nfs/dbraw/zinc/97/28/83/1303972883.db2.gz HRUGWUNHNVVDKY-KRWDZBQOSA-N 0 3 339.911 3.114 20 10 EGCDHN CC[N@@H+](Cc1cc(Br)cc(C)c1[O-])C[C@@H]1CCOC1 ZINC000775654014 1304005482 /nfs/dbraw/zinc/00/54/82/1304005482.db2.gz RGTVDBBUCYETBS-LBPRGKRZSA-N 0 3 328.250 3.322 20 10 EGCDHN CC[N@H+](Cc1cc(Br)cc(C)c1[O-])C[C@@H]1CCOC1 ZINC000775654014 1304005485 /nfs/dbraw/zinc/00/54/85/1304005485.db2.gz RGTVDBBUCYETBS-LBPRGKRZSA-N 0 3 328.250 3.322 20 10 EGCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c1[O-] ZINC000775700196 1304018282 /nfs/dbraw/zinc/01/82/82/1304018282.db2.gz DJMLGRHKCRQPCR-AWEZNQCLSA-N 0 3 336.863 3.188 20 10 EGCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c1[O-] ZINC000775700196 1304018288 /nfs/dbraw/zinc/01/82/88/1304018288.db2.gz DJMLGRHKCRQPCR-AWEZNQCLSA-N 0 3 336.863 3.188 20 10 EGCDHN C[C@@H](NCC(=O)Nc1ccc(Cl)cn1)c1ccc(N(C)C)cc1 ZINC000775826687 1304044395 /nfs/dbraw/zinc/04/43/95/1304044395.db2.gz FPCSDSYYFKOJIO-GFCCVEGCSA-N 0 3 332.835 3.090 20 10 EGCDHN C[C@H](NC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1)c1cccs1 ZINC000775834137 1304046285 /nfs/dbraw/zinc/04/62/85/1304046285.db2.gz KNNOCYMRRFRIHS-KBPBESRZSA-N 0 3 331.485 3.342 20 10 EGCDHN C[C@H](NCC(=O)N(C)[C@@H]1CCCC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000775835541 1304047582 /nfs/dbraw/zinc/04/75/82/1304047582.db2.gz UIRMOGBGKDITQA-TXPKVOOTSA-N 0 3 331.504 3.440 20 10 EGCDHN C[C@H](NC(=O)N1CCN(C2CCCC2)CC1)c1ccc(N(C)C)cc1 ZINC000776248402 1304121225 /nfs/dbraw/zinc/12/12/25/1304121225.db2.gz ZOHOJGBGWRDGTC-INIZCTEOSA-N 0 3 344.503 3.083 20 10 EGCDHN C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)c1cc([O-])cs1)C1CC1 ZINC000776294611 1304130455 /nfs/dbraw/zinc/13/04/55/1304130455.db2.gz FTEODKQSYPLGQI-INIZCTEOSA-N 0 3 330.453 3.094 20 10 EGCDHN C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)c1cc([O-])cs1)C1CC1 ZINC000776294611 1304130463 /nfs/dbraw/zinc/13/04/63/1304130463.db2.gz FTEODKQSYPLGQI-INIZCTEOSA-N 0 3 330.453 3.094 20 10 EGCDHN CN(Cc1ccccc1)[C@@H](CNC(=O)C1=CC(=O)CS1)C1CC1 ZINC000776294611 1304130469 /nfs/dbraw/zinc/13/04/69/1304130469.db2.gz FTEODKQSYPLGQI-INIZCTEOSA-N 0 3 330.453 3.094 20 10 EGCDHN COCCOC[C@H](C)[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000779036445 1304521643 /nfs/dbraw/zinc/52/16/43/1304521643.db2.gz OIQWPCYPGJGHJA-NWDGAFQWSA-N 0 3 346.265 3.165 20 10 EGCDHN [O-]c1ccc(F)cc1C[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000779099869 1304529103 /nfs/dbraw/zinc/52/91/03/1304529103.db2.gz CRMRPURKHPPLEH-CQSZACIVSA-N 0 3 329.293 3.373 20 10 EGCDHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1cccc2c1OCC2 ZINC000891523826 1305078547 /nfs/dbraw/zinc/07/85/47/1305078547.db2.gz DCFXLLFPSKTVGN-UHFFFAOYSA-N 0 3 338.451 3.090 20 10 EGCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])[C@H]1CN(Cc2ccccc2)CCO1 ZINC000783513238 1305101228 /nfs/dbraw/zinc/10/12/28/1305101228.db2.gz JSELGCAXXXBILT-CSODHUTKSA-N 0 3 340.467 3.332 20 10 EGCDHN CCOc1ccc(CN2CCC[C@@](OC)(C(F)(F)F)C2)c(O)c1 ZINC000783718096 1305131714 /nfs/dbraw/zinc/13/17/14/1305131714.db2.gz OSOINXYDMDMRGS-HNNXBMFYSA-N 0 3 333.350 3.334 20 10 EGCDHN CC(=O)Nc1ccc(C[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)cn1 ZINC000788604527 1305980735 /nfs/dbraw/zinc/98/07/35/1305980735.db2.gz CERGMGYCFWGTNI-IINYFYTJSA-N 0 3 329.375 3.223 20 10 EGCDHN COc1cc(C)cc(CNCc2cccc3c2OCCCO3)c1O ZINC000894345180 1306352749 /nfs/dbraw/zinc/35/27/49/1306352749.db2.gz GHMLPXQAIFYGGC-UHFFFAOYSA-N 0 3 329.396 3.160 20 10 EGCDHN CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+]Cc1c([O-])cccc1OC ZINC000793259245 1309335385 /nfs/dbraw/zinc/33/53/85/1309335385.db2.gz HBAVNFWCHDSFOM-CYBMUJFWSA-N 0 3 338.448 3.136 20 10 EGCDHN CCN(CC)c1ccc(CN2CC[C@](CO)(C(F)(F)F)C2)cc1 ZINC000895845146 1309554272 /nfs/dbraw/zinc/55/42/72/1309554272.db2.gz NTYBWZNWFWPGCH-INIZCTEOSA-N 0 3 330.394 3.280 20 10 EGCDHN CC[C@@H]([NH2+]CCc1cccc(C(=O)NC)c1)c1ccc(C)cc1[O-] ZINC000794801314 1309597483 /nfs/dbraw/zinc/59/74/83/1309597483.db2.gz JMPPCDRBPGOFSN-GOSISDBHSA-N 0 3 326.440 3.344 20 10 EGCDHN CSCC1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000896936955 1310092473 /nfs/dbraw/zinc/09/24/73/1310092473.db2.gz GZPUFIUOHREKLY-UHFFFAOYSA-N 0 3 338.492 3.237 20 10 EGCDHN CCOc1ccc(C[NH2+]C2CCN(c3nccs3)CC2)c([O-])c1 ZINC000798503606 1310374867 /nfs/dbraw/zinc/37/48/67/1310374867.db2.gz NIEMPZMINIJXPT-UHFFFAOYSA-N 0 3 333.457 3.006 20 10 EGCDHN Cc1noc(C[C@@H]2CCCN(Cc3ccc(N(C)C)c(F)c3)C2)n1 ZINC000897579603 1310391988 /nfs/dbraw/zinc/39/19/88/1310391988.db2.gz YDECPFGZDOIMGW-AWEZNQCLSA-N 0 3 332.423 3.038 20 10 EGCDHN [O-]c1cc(Br)ccc1CN1CCC([NH2+]C2CCC2)CC1 ZINC000897983153 1310539838 /nfs/dbraw/zinc/53/98/38/1310539838.db2.gz ZTGXNFKXAIDXMM-UHFFFAOYSA-N 0 3 339.277 3.261 20 10 EGCDHN CCCC[N@H+](CCC(=O)Nc1cccnc1)Cc1ccccc1[O-] ZINC000801595114 1310971254 /nfs/dbraw/zinc/97/12/54/1310971254.db2.gz IGRAPFYXTPYAPS-UHFFFAOYSA-N 0 3 327.428 3.418 20 10 EGCDHN CCCC[N@@H+](CCC(=O)Nc1cccnc1)Cc1ccccc1[O-] ZINC000801595114 1310971271 /nfs/dbraw/zinc/97/12/71/1310971271.db2.gz IGRAPFYXTPYAPS-UHFFFAOYSA-N 0 3 327.428 3.418 20 10 EGCDHN O=[N+]([O-])c1cc(CN2CC[C@H](CCCO)C2)ccc1N1CCCCC1 ZINC000825338668 1320330044 /nfs/dbraw/zinc/33/00/44/1320330044.db2.gz SXIZCZOOILMZHY-INIZCTEOSA-N 0 3 347.459 3.180 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCC(=O)Nc2ccccn2)c1[O-] ZINC000808682293 1317715450 /nfs/dbraw/zinc/71/54/50/1317715450.db2.gz QJYADVSDRHFVMP-LBPRGKRZSA-N 0 3 333.819 3.428 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cccc(OCC(N)=O)c2)c1[O-] ZINC000808700209 1317717112 /nfs/dbraw/zinc/71/71/12/1317717112.db2.gz WAYLUMKOBJALRQ-LBPRGKRZSA-N 0 3 348.830 3.069 20 10 EGCDHN CC(=O)N(C)c1ccc(CNCc2ccc(N(C)C)c(F)c2)cc1 ZINC000858249929 1328722106 /nfs/dbraw/zinc/72/21/06/1328722106.db2.gz CNXYPOXPVIFDGO-UHFFFAOYSA-N 0 3 329.419 3.164 20 10 EGCDHN CCOc1cccc(CN2CCCC[C@@H]2COC(=O)NC2CC2)c1O ZINC000811510778 1318188701 /nfs/dbraw/zinc/18/87/01/1318188701.db2.gz OPTITMGXLHSGKA-MRXNPFEDSA-N 0 3 348.443 3.034 20 10 EGCDHN C[C@@H](N[C@H]1CC(=O)N(c2ccccc2F)C1)c1ccc(N(C)C)cc1 ZINC000812739807 1318446132 /nfs/dbraw/zinc/44/61/32/1318446132.db2.gz DYDWAGQKEQDHQT-ZBFHGGJFSA-N 0 3 341.430 3.348 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(c3ccccc3F)C2)c([O-])c1 ZINC000812741560 1318447875 /nfs/dbraw/zinc/44/78/75/1318447875.db2.gz VGHLKZALWQHIJP-ZIAGYGMSSA-N 0 3 328.387 3.296 20 10 EGCDHN COC(=O)c1cc(CN[C@H](C)c2ccc(N(C)C)cc2)n(C)c1C ZINC000812756980 1318449445 /nfs/dbraw/zinc/44/94/45/1318449445.db2.gz IJEVBNMAFGNTJU-CYBMUJFWSA-N 0 3 329.444 3.037 20 10 EGCDHN CO[C@@](C)(C[NH2+]Cc1cc(Br)cc(C)c1[O-])C1CC1 ZINC000812773411 1318450741 /nfs/dbraw/zinc/45/07/41/1318450741.db2.gz VYIIWCJPOFYWAA-HNNXBMFYSA-N 0 3 328.250 3.368 20 10 EGCDHN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(C(=O)N(C)C)cc1 ZINC000813857306 1318644685 /nfs/dbraw/zinc/64/46/85/1318644685.db2.gz RYEFDWQPONFXFY-CQSZACIVSA-N 0 3 343.446 3.444 20 10 EGCDHN O=C(NCc1ccc(O)cc1O)c1cccc(CN2CCCCC2)c1 ZINC000910944495 1318698038 /nfs/dbraw/zinc/69/80/38/1318698038.db2.gz MXRMJOVWFKBYAY-UHFFFAOYSA-N 0 3 340.423 3.014 20 10 EGCDHN CCNC(=O)OC[C@H]1CCCCN1Cc1ccc(N(C)CC)cc1 ZINC000815116429 1318898070 /nfs/dbraw/zinc/89/80/70/1318898070.db2.gz MTNYGQZXGRLTIB-GOSISDBHSA-N 0 3 333.476 3.243 20 10 EGCDHN CCN(C)c1ccc(CN2CCCC[C@@H]2COC(=O)NC2CC2)cc1 ZINC000815119712 1318899124 /nfs/dbraw/zinc/89/91/24/1318899124.db2.gz FNCKCOVECZCKHV-LJQANCHMSA-N 0 3 345.487 3.386 20 10 EGCDHN COc1cccc([O-])c1C[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000815149075 1318913964 /nfs/dbraw/zinc/91/39/64/1318913964.db2.gz YKYFQCXSVBJTNN-UHFFFAOYSA-N 0 3 326.318 3.147 20 10 EGCDHN CON(C)C(=O)[C@@H](C)N[C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000858586256 1328802120 /nfs/dbraw/zinc/80/21/20/1328802120.db2.gz HMJAIDCNYBYQTQ-HZPDHXFCSA-N 0 3 333.476 3.126 20 10 EGCDHN CC[S@](=O)CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815579667 1319019748 /nfs/dbraw/zinc/01/97/48/1319019748.db2.gz SCJZWNWUDMIPPT-MBSDFSHPSA-N 0 3 331.481 3.424 20 10 EGCDHN c1csc([C@H](NCCCSc2nccs2)c2nnc[nH]2)c1 ZINC000815581839 1319021039 /nfs/dbraw/zinc/02/10/39/1319021039.db2.gz QRZDUYZQXOGFII-NSHDSACASA-N 0 3 337.499 3.184 20 10 EGCDHN COC[C@@](C)(O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815579836 1319021518 /nfs/dbraw/zinc/02/15/18/1319021518.db2.gz WFDJXPMGEVOFGQ-ICSRJNTNSA-N 0 3 329.440 3.053 20 10 EGCDHN C[C@H]([NH2+]CCNC(=O)CCCc1ccccc1)c1ccccc1[O-] ZINC000818353667 1319534381 /nfs/dbraw/zinc/53/43/81/1319534381.db2.gz XVABFRUTCJGTJA-INIZCTEOSA-N 0 3 326.440 3.182 20 10 EGCDHN Cn1cc(CNCc2ccc3c(c2)CCO3)c(-c2ccc(F)cc2)n1 ZINC000823752228 1320203586 /nfs/dbraw/zinc/20/35/86/1320203586.db2.gz DMZVNSHUXOBPIE-UHFFFAOYSA-N 0 3 337.398 3.451 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1[O-] ZINC000824721914 1320280333 /nfs/dbraw/zinc/28/03/33/1320280333.db2.gz KVHKCTWNETVSMP-ZNMIVQPWSA-N 0 3 325.836 3.180 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1[O-] ZINC000824721914 1320280338 /nfs/dbraw/zinc/28/03/38/1320280338.db2.gz KVHKCTWNETVSMP-ZNMIVQPWSA-N 0 3 325.836 3.180 20 10 EGCDHN CCN1C[C@@H](NCc2ccc(N(C)Cc3cccs3)cc2)CC1=O ZINC000824893581 1320293912 /nfs/dbraw/zinc/29/39/12/1320293912.db2.gz WHPJQFLJDQWDQJ-INIZCTEOSA-N 0 3 343.496 3.095 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]C[C@H](CO)c2ccc(F)cc2)c1[O-] ZINC000840964273 1321188276 /nfs/dbraw/zinc/18/82/76/1321188276.db2.gz VWMWUNPAUSCHQQ-CYBMUJFWSA-N 0 3 339.794 3.059 20 10 EGCDHN C[C@H]1[C@@H](CO)CCCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000840976563 1321192168 /nfs/dbraw/zinc/19/21/68/1321192168.db2.gz DKPMSUSOYKZHHA-DOTOQJQBSA-N 0 3 347.459 3.178 20 10 EGCDHN CC(C)NC(=O)[C@H](C)NCc1ccc(N(C)Cc2cccs2)cc1 ZINC000840975054 1321192658 /nfs/dbraw/zinc/19/26/58/1321192658.db2.gz TZJPOAKYRDXSRN-HNNXBMFYSA-N 0 3 345.512 3.387 20 10 EGCDHN CN(C)c1ccc([C@H]([NH3+])CNCc2c([O-])ccc(Cl)c2F)cc1 ZINC000841041949 1321208009 /nfs/dbraw/zinc/20/80/09/1321208009.db2.gz IJXNKFHJFHHULP-OAHLLOKOSA-N 0 3 337.826 3.040 20 10 EGCDHN CCN(C(=O)Nc1ccc(N)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000841295574 1321247593 /nfs/dbraw/zinc/24/75/93/1321247593.db2.gz BQPFWDZSOCQFFS-IBGZPJMESA-N 0 3 338.455 3.397 20 10 EGCDHN CC[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)C(=O)NCc1cccs1 ZINC000842907077 1321448373 /nfs/dbraw/zinc/44/83/73/1321448373.db2.gz CKNUJPLQSAWVJH-LSDHHAIUSA-N 0 3 330.453 3.126 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+]Cc2ccc(CO)cc2)c1[O-] ZINC000843420020 1321515569 /nfs/dbraw/zinc/51/55/69/1321515569.db2.gz YTSMWKUCVZYVCY-UHFFFAOYSA-N 0 3 336.229 3.245 20 10 EGCDHN CCOc1ccc(C[N@H+](C)C[C@@]2(O)CCc3ccccc32)c([O-])c1 ZINC000843422899 1321516635 /nfs/dbraw/zinc/51/66/35/1321516635.db2.gz YIVZYVHLOPROQV-FQEVSTJZSA-N 0 3 327.424 3.057 20 10 EGCDHN CCOc1ccc(C[N@@H+](C)C[C@@]2(O)CCc3ccccc32)c([O-])c1 ZINC000843422899 1321516637 /nfs/dbraw/zinc/51/66/37/1321516637.db2.gz YIVZYVHLOPROQV-FQEVSTJZSA-N 0 3 327.424 3.057 20 10 EGCDHN C[C@H]1CCCN(Cc2cccc(Br)c2[O-])[C@@H]1CC[NH3+] ZINC000844902322 1321655955 /nfs/dbraw/zinc/65/59/55/1321655955.db2.gz PGTKXOCCFKXLDA-SMDDNHRTSA-N 0 3 327.266 3.104 20 10 EGCDHN Fc1cc(CN2CCC3(CC3(F)F)CC2)ccc1N1CCOCC1 ZINC000846054667 1321765177 /nfs/dbraw/zinc/76/51/77/1321765177.db2.gz ORBQRWGSFTWSIQ-UHFFFAOYSA-N 0 3 340.389 3.284 20 10 EGCDHN COc1cccc([C@@H](C)N[C@H]2CCN(c3ccc(C)cc3)C2=O)c1O ZINC000846153780 1321772310 /nfs/dbraw/zinc/77/23/10/1321772310.db2.gz IIGPSQLFSMNHCY-PBHICJAKSA-N 0 3 340.423 3.165 20 10 EGCDHN CCc1cccc(CN[C@H](C)CS(=O)(=O)c2ccc(C)cc2)c1O ZINC000848904542 1322040539 /nfs/dbraw/zinc/04/05/39/1322040539.db2.gz WXEWHCLGEXWUCB-OAHLLOKOSA-N 0 3 347.480 3.215 20 10 EGCDHN CC[C@H](NCc1ccc2c(c1)CCCO2)C(=O)NCc1cccs1 ZINC000922211136 1322479456 /nfs/dbraw/zinc/47/94/56/1322479456.db2.gz UYZOKYIRQZKCBL-KRWDZBQOSA-N 0 3 344.480 3.258 20 10 EGCDHN C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)C1(Cl)CC1 ZINC000924760181 1323148291 /nfs/dbraw/zinc/14/82/91/1323148291.db2.gz OPZFTYHXTSXOLK-GFCCVEGCSA-N 0 3 326.843 3.036 20 10 EGCDHN CC(=O)N1CC[C@@H]([NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])C1 ZINC000857084632 1325570758 /nfs/dbraw/zinc/57/07/58/1325570758.db2.gz YVMXZDKSVKHGNO-UYAOXDASSA-N 0 3 338.451 3.277 20 10 EGCDHN CN(C)Cc1ccnc(NCc2c(O)cccc2Br)c1 ZINC000862302746 1329474721 /nfs/dbraw/zinc/47/47/21/1329474721.db2.gz APJDHFBXDROLLU-UHFFFAOYSA-N 0 3 336.233 3.223 20 10 EGCDHN C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1c([O-])cccc1Br ZINC000862365294 1329478305 /nfs/dbraw/zinc/47/83/05/1329478305.db2.gz ONDVBZIHRQARQU-QWHCGFSZSA-N 0 3 339.277 3.213 20 10 EGCDHN CC(C)N1CCC[C@@H]1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000936036238 1330108386 /nfs/dbraw/zinc/10/83/86/1330108386.db2.gz DFILNUFTGAMPIW-MRXNPFEDSA-N 0 3 349.438 3.208 20 10 EGCDHN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)C12CCCN1CCC2 ZINC001183561024 1387319136 /nfs/dbraw/zinc/31/91/36/1387319136.db2.gz HMYCYWGWONZPNC-SFHVURJKSA-N 0 3 342.483 3.377 20 10 EGCDHN COC1CCN(c2ccc(CN[C@@H](C)c3cnn(C)c3C)cc2)CC1 ZINC001325191009 1387912505 /nfs/dbraw/zinc/91/25/05/1387912505.db2.gz BZFQWXFDJMQYQI-HNNXBMFYSA-N 0 3 342.487 3.195 20 10 EGCDHN COCCOc1ncccc1CN[C@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001325339960 1387941051 /nfs/dbraw/zinc/94/10/51/1387941051.db2.gz MESQAUNSHDYMAJ-HOCLYGCPSA-N 0 3 342.439 3.459 20 10 EGCDHN COc1cccc(CN2CCN([C@@H](C)c3ccccc3)CC2)c1O ZINC001203596572 1370182756 /nfs/dbraw/zinc/18/27/56/1370182756.db2.gz JDESUKFBZQFTQA-INIZCTEOSA-N 0 3 326.440 3.280 20 10 EGCDHN CCOc1ccc(N2CCN(Cc3cccc(OC)c3O)CC2)cc1 ZINC001203601983 1370183881 /nfs/dbraw/zinc/18/38/81/1370183881.db2.gz VDFRKTDEASTTPP-UHFFFAOYSA-N 0 3 342.439 3.122 20 10 EGCDHN CCOC(=O)[C@]1(C)CCCC[N@H+](Cc2cccc(OCC)c2[O-])C1 ZINC001203603403 1370184436 /nfs/dbraw/zinc/18/44/36/1370184436.db2.gz NNYIUXBLSIYUFC-LJQANCHMSA-N 0 3 335.444 3.346 20 10 EGCDHN CCOC(=O)[C@]1(C)CCCC[N@@H+](Cc2cccc(OCC)c2[O-])C1 ZINC001203603403 1370184438 /nfs/dbraw/zinc/18/44/38/1370184438.db2.gz NNYIUXBLSIYUFC-LJQANCHMSA-N 0 3 335.444 3.346 20 10 EGCDHN CCOc1cccc(CN2CCN(C)[C@@H](c3ccccc3)C2)c1O ZINC001203609511 1370186655 /nfs/dbraw/zinc/18/66/55/1370186655.db2.gz WBXKEHIOXUMORC-GOSISDBHSA-N 0 3 326.440 3.280 20 10 EGCDHN CCOc1cccc(CN(CCOC(C)C)CCOC(C)C)c1O ZINC001203609215 1370187055 /nfs/dbraw/zinc/18/70/55/1370187055.db2.gz LRUPTDKLNBUYNE-UHFFFAOYSA-N 0 3 339.476 3.443 20 10 EGCDHN COC(=O)[C@@H]1CC[N@H+](Cc2ccc(OC)cc2[O-])[C@H]1c1ccccc1 ZINC001203621410 1370190196 /nfs/dbraw/zinc/19/01/96/1370190196.db2.gz DSGVBKFDEHKMBA-MJGOQNOKSA-N 0 3 341.407 3.137 20 10 EGCDHN COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(OC)cc2[O-])[C@H]1c1ccccc1 ZINC001203621410 1370190198 /nfs/dbraw/zinc/19/01/98/1370190198.db2.gz DSGVBKFDEHKMBA-MJGOQNOKSA-N 0 3 341.407 3.137 20 10 EGCDHN COc1ccc(C[N@@H+]2CCC[C@@H](Oc3ncccc3C)C2)c([O-])c1 ZINC001203635136 1370195339 /nfs/dbraw/zinc/19/53/39/1370195339.db2.gz LCMKBTSSSGKPTC-QGZVFWFLSA-N 0 3 328.412 3.148 20 10 EGCDHN COc1ccc(C[N@H+]2CCC[C@@H](Oc3ncccc3C)C2)c([O-])c1 ZINC001203635136 1370195342 /nfs/dbraw/zinc/19/53/42/1370195342.db2.gz LCMKBTSSSGKPTC-QGZVFWFLSA-N 0 3 328.412 3.148 20 10 EGCDHN C[N@H+](C1CC1)C1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC001203650597 1370201479 /nfs/dbraw/zinc/20/14/79/1370201479.db2.gz XKDGMMXBWWHLID-UHFFFAOYSA-N 0 3 339.277 3.213 20 10 EGCDHN C[N@@H+](C1CC1)C1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC001203650597 1370201482 /nfs/dbraw/zinc/20/14/82/1370201482.db2.gz XKDGMMXBWWHLID-UHFFFAOYSA-N 0 3 339.277 3.213 20 10 EGCDHN CC[N@H+](Cc1cc(OC)c(OC)c(OC)c1)Cc1ccccc1[O-] ZINC001203846557 1370288586 /nfs/dbraw/zinc/28/85/86/1370288586.db2.gz MWZJADHPKFJUQX-UHFFFAOYSA-N 0 3 331.412 3.440 20 10 EGCDHN CC[N@@H+](Cc1cc(OC)c(OC)c(OC)c1)Cc1ccccc1[O-] ZINC001203846557 1370288589 /nfs/dbraw/zinc/28/85/89/1370288589.db2.gz MWZJADHPKFJUQX-UHFFFAOYSA-N 0 3 331.412 3.440 20 10 EGCDHN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1Cc1ccc(N(C)C)cc1 ZINC001203936105 1370322205 /nfs/dbraw/zinc/32/22/05/1370322205.db2.gz JBNNNTQBVHANIK-ZBFHGGJFSA-N 0 3 333.476 3.240 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC3(CCN(CC)C3=O)CC2)cc1 ZINC001203942808 1370324266 /nfs/dbraw/zinc/32/42/66/1370324266.db2.gz RTWYQYZGJKVNHR-UHFFFAOYSA-N 0 3 343.515 3.367 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC[C@H](NC(=O)NC(C)C)C2)cc1 ZINC001203945456 1370325700 /nfs/dbraw/zinc/32/57/00/1370325700.db2.gz MALXCMICNGGPGA-SFHVURJKSA-N 0 3 346.519 3.205 20 10 EGCDHN CCNC(=O)[C@@H]1CCCN1Cc1ccc(N(C)C)c2ccccc12 ZINC001204241168 1370419002 /nfs/dbraw/zinc/41/90/02/1370419002.db2.gz YQGWSBFJVBHNLX-IBGZPJMESA-N 0 3 325.456 3.006 20 10 EGCDHN Cc1ccc(Cl)cc1N1CCN(Cc2ccc(O)cc2O)CC1 ZINC001204272841 1370427699 /nfs/dbraw/zinc/42/76/99/1370427699.db2.gz TZOHOSUWZBMBKU-UHFFFAOYSA-N 0 3 332.831 3.382 20 10 EGCDHN O=C(c1ccc(F)cc1)C1CCN(Cc2ccc(O)cc2O)CC1 ZINC001204271689 1370427903 /nfs/dbraw/zinc/42/79/03/1370427903.db2.gz BQDNYBFLQHJSCV-UHFFFAOYSA-N 0 3 329.371 3.332 20 10 EGCDHN CC(C)(C)OC(=O)N1CCC[C@]2(CCN2Cc2ccc(O)cc2O)C1 ZINC001204276246 1370428912 /nfs/dbraw/zinc/42/89/12/1370428912.db2.gz IDIRNSNNVDUHBB-IBGZPJMESA-N 0 3 348.443 3.073 20 10 EGCDHN O=C([C@@H]1CCCCN1Cc1ccc(N2CCCC2)cc1)N1CCCC1 ZINC001204327519 1370445275 /nfs/dbraw/zinc/44/52/75/1370445275.db2.gz WWJIRQBTOGGOKA-FQEVSTJZSA-N 0 3 341.499 3.264 20 10 EGCDHN Cc1cc(Br)c([O-])c(CN2CCC[C@H](C[NH3+])[C@@H]2C)c1 ZINC001205912848 1370908371 /nfs/dbraw/zinc/90/83/71/1370908371.db2.gz DBIWQEHHVBAZAR-NWDGAFQWSA-N 0 3 327.266 3.022 20 10 EGCDHN C[S@@](=O)c1ccc(CNCc2ccc(N3CCCC3)cc2)cc1 ZINC001117596214 1371055406 /nfs/dbraw/zinc/05/54/06/1371055406.db2.gz PQRWMUINERTTHX-HSZRJFAPSA-N 0 3 328.481 3.314 20 10 EGCDHN OC1CCN(c2ccc(CNCc3cccn3C3CC3)cc2F)CC1 ZINC001117784777 1371083436 /nfs/dbraw/zinc/08/34/36/1371083436.db2.gz XVKUXVQKSNQNLQ-UHFFFAOYSA-N 0 3 343.446 3.213 20 10 EGCDHN C[C@H]([NH2+]Cc1ccccc1N1CCN(C)CC1)c1c([O-])cccc1F ZINC001119437613 1371341366 /nfs/dbraw/zinc/34/13/66/1371341366.db2.gz BPWCYUGQUATMPN-HNNXBMFYSA-N 0 3 343.446 3.134 20 10 EGCDHN CCOc1cc(C)ccc1CNCc1ccc(OC)c(OC)c1O ZINC001120034661 1371464165 /nfs/dbraw/zinc/46/41/65/1371464165.db2.gz GJJHUWDXCXFDST-UHFFFAOYSA-N 0 3 331.412 3.406 20 10 EGCDHN Cc1cccc(CN2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)c1O ZINC001231592266 1376273682 /nfs/dbraw/zinc/27/36/82/1376273682.db2.gz LNNXOQKQXSLMQJ-MRXNPFEDSA-N 0 3 342.487 3.314 20 10 EGCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](Oc3nccnc3C)C2)cc1Cl ZINC001231871280 1376333818 /nfs/dbraw/zinc/33/38/18/1376333818.db2.gz ISIXPWZTBUESEJ-OAHLLOKOSA-N 0 3 347.846 3.496 20 10 EGCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](Oc3nccnc3C)C2)cc1Cl ZINC001231871280 1376333826 /nfs/dbraw/zinc/33/38/26/1376333826.db2.gz ISIXPWZTBUESEJ-OAHLLOKOSA-N 0 3 347.846 3.496 20 10 EGCDHN CN(Cc1cc2ccncc2[nH]1)Cc1ccc(N2CCOCC2)cc1 ZINC001232093694 1376398074 /nfs/dbraw/zinc/39/80/74/1376398074.db2.gz YGEHDJCHHOQAGC-UHFFFAOYSA-N 0 3 336.439 3.032 20 10 EGCDHN CN1CCC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)CC1 ZINC001233194438 1376583545 /nfs/dbraw/zinc/58/35/45/1376583545.db2.gz TYWCQXLGGGKBPT-UHFFFAOYSA-N 0 3 349.272 3.445 20 10 EGCDHN CN1CCC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)CC1 ZINC001233194438 1376583546 /nfs/dbraw/zinc/58/35/46/1376583546.db2.gz TYWCQXLGGGKBPT-UHFFFAOYSA-N 0 3 349.272 3.445 20 10 EGCDHN CCCCOC(=O)[C@@H]1CCN(Cc2cc(Cl)cc(OC)c2O)C1 ZINC001233291409 1376606119 /nfs/dbraw/zinc/60/61/19/1376606119.db2.gz ZWFLCIKNCFFIKM-GFCCVEGCSA-N 0 3 341.835 3.219 20 10 EGCDHN [O-]c1c(C[N@@H+]2CCC[C@]3(CCOC3)C2)cccc1OC(F)(F)F ZINC001233737074 1376706234 /nfs/dbraw/zinc/70/62/34/1376706234.db2.gz VKSPFJUTUKTYMZ-HNNXBMFYSA-N 0 3 331.334 3.293 20 10 EGCDHN [O-]c1c(C[N@H+]2CCC[C@]3(CCOC3)C2)cccc1OC(F)(F)F ZINC001233737074 1376706237 /nfs/dbraw/zinc/70/62/37/1376706237.db2.gz VKSPFJUTUKTYMZ-HNNXBMFYSA-N 0 3 331.334 3.293 20 10 EGCDHN [O-]c1c(C[N@@H+]2CC[C@@]3(C2)CCCOC3)cccc1OC(F)(F)F ZINC001233768306 1376711733 /nfs/dbraw/zinc/71/17/33/1376711733.db2.gz OXAUKGFTGXITAK-OAHLLOKOSA-N 0 3 331.334 3.293 20 10 EGCDHN [O-]c1c(C[N@H+]2CC[C@@]3(C2)CCCOC3)cccc1OC(F)(F)F ZINC001233768306 1376711741 /nfs/dbraw/zinc/71/17/41/1376711741.db2.gz OXAUKGFTGXITAK-OAHLLOKOSA-N 0 3 331.334 3.293 20 10 EGCDHN Cc1cc(CN2CC[C@](O)(C(F)(F)F)[C@@H](C)C2)ccc1N(C)C ZINC001139669782 1377930567 /nfs/dbraw/zinc/93/05/67/1377930567.db2.gz NGZZBPTWSVQSHS-XJKSGUPXSA-N 0 3 330.394 3.196 20 10 EGCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001140053919 1377996596 /nfs/dbraw/zinc/99/65/96/1377996596.db2.gz FBCFWGNGXDIRCJ-CJNGLKHVSA-N 0 3 347.459 3.084 20 10 EGCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001140053919 1377996598 /nfs/dbraw/zinc/99/65/98/1377996598.db2.gz FBCFWGNGXDIRCJ-CJNGLKHVSA-N 0 3 347.459 3.084 20 10 EGCDHN COC(=O)C[C@@H](C)[N@H+](Cc1ccccc1)Cc1cc(F)ccc1[O-] ZINC001140059982 1377998378 /nfs/dbraw/zinc/99/83/78/1377998378.db2.gz FAEJQPYFRAVUES-CQSZACIVSA-N 0 3 331.387 3.485 20 10 EGCDHN COC(=O)C[C@@H](C)[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1[O-] ZINC001140059982 1377998379 /nfs/dbraw/zinc/99/83/79/1377998379.db2.gz FAEJQPYFRAVUES-CQSZACIVSA-N 0 3 331.387 3.485 20 10 EGCDHN CCN1CCN(c2ccc(CN3CC[C@](C)(F)[C@@H](F)C3)cc2)CC1 ZINC001140302656 1378042812 /nfs/dbraw/zinc/04/28/12/1378042812.db2.gz WZBKEOUNNKQABZ-OALUTQOASA-N 0 3 337.458 3.101 20 10 EGCDHN Cc1c(O)ccc(CN2CC[C@@H](Oc3cc(F)ccc3F)C2)c1O ZINC001140745566 1378128357 /nfs/dbraw/zinc/12/83/57/1378128357.db2.gz KSANYORBKHUFOO-CQSZACIVSA-N 0 3 335.350 3.338 20 10 EGCDHN Cc1ccc(CN2CCCn3cnc(Cn4cccc4)c3C2)c(O)c1 ZINC001140949643 1378190637 /nfs/dbraw/zinc/19/06/37/1378190637.db2.gz GERGZIUEPSOKCF-UHFFFAOYSA-N 0 3 336.439 3.153 20 10 EGCDHN FC1(F)CO[C@@]2(CCN(Cc3cc4c5c(c3)CCCN5CCC4)C2)C1 ZINC001141078197 1378233739 /nfs/dbraw/zinc/23/37/39/1378233739.db2.gz ORAGSHHIAOISNL-IBGZPJMESA-N 0 3 348.437 3.386 20 10 EGCDHN CN1CCCC[C@H]1c1ccc(NCCc2cc(O)c(O)cc2O)nc1 ZINC001168009703 1383796069 /nfs/dbraw/zinc/79/60/69/1383796069.db2.gz OFHODDWKQZYSSC-HNNXBMFYSA-N 0 3 343.427 3.010 20 10 EGCDHN OC[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)CC[C@@H]1C(F)(F)F ZINC001329791021 1389225557 /nfs/dbraw/zinc/22/55/57/1389225557.db2.gz GGSZWIIRBMJYOV-RDJZCZTQSA-N 0 3 342.405 3.280 20 10 EGCDHN C[C@@H]1OCC[C@]1(O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC001347669061 1391109061 /nfs/dbraw/zinc/10/90/61/1391109061.db2.gz QHKXBXLYVXAIGE-SCWSEQNSSA-N 0 3 341.451 3.196 20 10 EGCDHN COc1ccc(CNC/C=C\CNC(=O)c2cc(Cl)c[nH]2)cc1C ZINC001754106484 1440541562 /nfs/dbraw/zinc/54/15/62/1440541562.db2.gz FBPKNULFPYABPV-ARJAWSKDSA-N 0 3 347.846 3.061 20 10 EGCDHN CCOc1ccc(CN(C)Cc2cc3c(cc2O)OCO3)cc1OC ZINC000005067502 210382272 /nfs/dbraw/zinc/38/22/72/210382272.db2.gz RKYNMIKYIOAFST-UHFFFAOYSA-N 0 3 345.395 3.160 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+](C[C@H]2CCOC2)C2CC2)c1[O-] ZINC000179678405 455066335 /nfs/dbraw/zinc/06/63/35/455066335.db2.gz PLYGXTRAMHKABG-GFCCVEGCSA-N 0 3 340.261 3.464 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+](C[C@H]2CCOC2)C2CC2)c1[O-] ZINC000179678405 455066339 /nfs/dbraw/zinc/06/63/39/455066339.db2.gz PLYGXTRAMHKABG-GFCCVEGCSA-N 0 3 340.261 3.464 20 10 EGCDHN [O-]c1ccccc1C[N@H+](C[C@H](O)c1ccccc1F)C[C@@H]1CCCO1 ZINC000264730246 455271707 /nfs/dbraw/zinc/27/17/07/455271707.db2.gz QWOJCCYEAYPPHI-JXFKEZNVSA-N 0 3 345.414 3.246 20 10 EGCDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)c1ccccc1F)C[C@@H]1CCCO1 ZINC000264730246 455271710 /nfs/dbraw/zinc/27/17/10/455271710.db2.gz QWOJCCYEAYPPHI-JXFKEZNVSA-N 0 3 345.414 3.246 20 10 EGCDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)c1ccc(F)cc1)C[C@H]1CCCO1 ZINC000264741227 455274235 /nfs/dbraw/zinc/27/42/35/455274235.db2.gz UATRPMUFHKBMBB-UYAOXDASSA-N 0 3 345.414 3.246 20 10 EGCDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)c1ccc(F)cc1)C[C@H]1CCCO1 ZINC000264741227 455274236 /nfs/dbraw/zinc/27/42/36/455274236.db2.gz UATRPMUFHKBMBB-UYAOXDASSA-N 0 3 345.414 3.246 20 10 EGCDHN CCCOc1ccc(C[N@H+](C)[C@@H](CO)c2ccc(OC)cc2)c([O-])c1 ZINC000093415682 454714170 /nfs/dbraw/zinc/71/41/70/454714170.db2.gz HWRITQKBKPXMOM-IBGZPJMESA-N 0 3 345.439 3.355 20 10 EGCDHN CCCOc1ccc(C[N@@H+](C)[C@@H](CO)c2ccc(OC)cc2)c([O-])c1 ZINC000093415682 454714174 /nfs/dbraw/zinc/71/41/74/454714174.db2.gz HWRITQKBKPXMOM-IBGZPJMESA-N 0 3 345.439 3.355 20 10 EGCDHN C[C@H]([NH2+]C1CCN(C2CC2)CC1)c1cc(Br)ccc1[O-] ZINC000184912872 455471411 /nfs/dbraw/zinc/47/14/11/455471411.db2.gz DWXXGMVBPIGBQC-NSHDSACASA-N 0 3 339.277 3.432 20 10 EGCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+]Cc2cccnc2)C1 ZINC000113359261 454924963 /nfs/dbraw/zinc/92/49/63/454924963.db2.gz YLVDKZHDGOAWRK-KRWDZBQOSA-N 0 3 331.847 3.195 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]Cc2cccc(OCC(=O)N(C)C)c2)c([O-])c1 ZINC000185063857 455495100 /nfs/dbraw/zinc/49/51/00/455495100.db2.gz UDEUQLVHXQZXJP-OAHLLOKOSA-N 0 3 342.439 3.018 20 10 EGCDHN CC[C@H]([NH2+]Cc1ccc(OCCO)c(OC)c1)c1ccccc1[O-] ZINC000155244544 454979504 /nfs/dbraw/zinc/97/95/04/454979504.db2.gz OLRQKYQXFWAHRU-INIZCTEOSA-N 0 3 331.412 3.013 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](c2ccc(F)cc2)N(C)C)c1 ZINC000185079923 455498073 /nfs/dbraw/zinc/49/80/73/455498073.db2.gz UBWTZEUJLGOBQD-ACJLOTCBSA-N 0 3 332.419 3.493 20 10 EGCDHN O=C(NCc1ccc(F)cc1)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000179557559 455057555 /nfs/dbraw/zinc/05/75/55/455057555.db2.gz SXLRCERECRATJF-UHFFFAOYSA-N 0 3 342.414 3.060 20 10 EGCDHN Cc1cccc(C[NH+]2CCC(C(=O)N3CCC(C)CC3)CC2)c1[O-] ZINC000179793936 455080359 /nfs/dbraw/zinc/08/03/59/455080359.db2.gz MOVLLJFFJQXKOW-UHFFFAOYSA-N 0 3 330.472 3.171 20 10 EGCDHN Cc1ccc(C(=O)NC2CC[NH+](Cc3cccc(C)c3[O-])CC2)s1 ZINC000179918677 455099447 /nfs/dbraw/zinc/09/94/47/455099447.db2.gz DDIADPQTJKADFE-UHFFFAOYSA-N 0 3 344.480 3.465 20 10 EGCDHN COC[C@@H]1CCC[N@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000180198540 455147406 /nfs/dbraw/zinc/14/74/06/455147406.db2.gz FHPJCZAWNSGJKN-GFCCVEGCSA-N 0 3 328.250 3.322 20 10 EGCDHN COC[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000180198540 455147407 /nfs/dbraw/zinc/14/74/07/455147407.db2.gz FHPJCZAWNSGJKN-GFCCVEGCSA-N 0 3 328.250 3.322 20 10 EGCDHN C[C@@H](NCCOCc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000156901677 455155989 /nfs/dbraw/zinc/15/59/89/455155989.db2.gz CTUKHMUWXGLHED-GOSISDBHSA-N 0 3 340.467 3.391 20 10 EGCDHN C[C@@H](c1ccccc1)N1CCC(NC(=O)Cc2ccc(N)cc2)CC1 ZINC000237481381 455188297 /nfs/dbraw/zinc/18/82/97/455188297.db2.gz SOSTXYIBYNOIRU-INIZCTEOSA-N 0 3 337.467 3.153 20 10 EGCDHN Cc1ccc([C@@H](C[NH2+][C@H](C)c2ccccc2[O-])N2CCOCC2)cc1 ZINC000183432880 455293014 /nfs/dbraw/zinc/29/30/14/455293014.db2.gz LWAHVJUBRZLKKC-YLJYHZDGSA-N 0 3 340.467 3.425 20 10 EGCDHN COc1ccc(CC[NH2+][C@H](C)c2ccccc2[O-])c(OC)c1OC ZINC000183487238 455298759 /nfs/dbraw/zinc/29/87/59/455298759.db2.gz PZBVTNUHNLZKHL-CYBMUJFWSA-N 0 3 331.412 3.311 20 10 EGCDHN CCOc1ccc(CNCc2cccc(OC)c2O)cc1OCC ZINC000265094842 455300410 /nfs/dbraw/zinc/30/04/10/455300410.db2.gz PBFSGSXMRSJHNV-UHFFFAOYSA-N 0 3 331.412 3.488 20 10 EGCDHN COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@H](C)c3ccccc3[O-])C2)c1 ZINC000183543663 455304599 /nfs/dbraw/zinc/30/45/99/455304599.db2.gz OLHKMWYPYFGUCB-HUUCEWRRSA-N 0 3 342.439 3.339 20 10 EGCDHN FC(F)Oc1ccc(N2CCC[C@H](NCc3cccnc3)C2)cc1 ZINC000174622377 455407014 /nfs/dbraw/zinc/40/70/14/455407014.db2.gz FBZAJQVEXDMSOR-HNNXBMFYSA-N 0 3 333.382 3.442 20 10 EGCDHN CCCOc1ccc(C[NH2+]C[C@](C)(O)c2cc(C)oc2C)c([O-])c1 ZINC000266160814 455423954 /nfs/dbraw/zinc/42/39/54/455423954.db2.gz NNQZOAGCGZAKDM-IBGZPJMESA-N 0 3 333.428 3.388 20 10 EGCDHN COc1cc(O)c(CN2CCC(OC3CCCC3)CC2)cc1OC ZINC000160061958 455425287 /nfs/dbraw/zinc/42/52/87/455425287.db2.gz DIVFMNLWCCZMJI-UHFFFAOYSA-N 0 3 335.444 3.333 20 10 EGCDHN CC[NH+](CC)C[C@@H]1CCN(Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000184699292 455430212 /nfs/dbraw/zinc/43/02/12/455430212.db2.gz FBNZRERKYDHVMS-ZDUSSCGKSA-N 0 3 326.868 3.218 20 10 EGCDHN Cc1ccc([C@H](C[NH2+][C@H](C)c2cc(F)ccc2[O-])N2CCOCC2)o1 ZINC000184909898 455470760 /nfs/dbraw/zinc/47/07/60/455470760.db2.gz MGHAOOIMJAOAFF-PBHICJAKSA-N 0 3 348.418 3.157 20 10 EGCDHN COc1ccc(O)c([C@H](C)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000185170548 455515029 /nfs/dbraw/zinc/51/50/29/455515029.db2.gz SLYCQUIVWFKGEH-STQMWFEESA-N 0 3 349.452 3.216 20 10 EGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]Cc2cccc(CS(C)(=O)=O)c2)c1 ZINC000185263148 455530559 /nfs/dbraw/zinc/53/05/59/455530559.db2.gz XGBXSRSSCSEJIR-CQSZACIVSA-N 0 3 333.453 3.096 20 10 EGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](O)COc2ccc(F)c(F)c2)c1 ZINC000185374807 455550807 /nfs/dbraw/zinc/55/08/07/455550807.db2.gz YSKZPKNLUJXJRN-OLZOCXBDSA-N 0 3 337.366 3.069 20 10 EGCDHN COc1ccc([C@@H](CN(C)C)NCc2ccc(OC)c(C)c2)cc1 ZINC000283968344 455617712 /nfs/dbraw/zinc/61/77/12/455617712.db2.gz KYEGOWUJFRHDEZ-LJQANCHMSA-N 0 3 328.456 3.405 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCOc2cccc(NC(C)=O)c2)c1 ZINC000185966540 455663469 /nfs/dbraw/zinc/66/34/69/455663469.db2.gz BZYRXOVEXOLODF-ZDUSSCGKSA-N 0 3 344.411 3.089 20 10 EGCDHN C[C@H]([NH2+]CCc1cccc(C(N)=O)c1)c1cc2c(cc1[O-])CCCC2 ZINC000185983673 455668978 /nfs/dbraw/zinc/66/89/78/455668978.db2.gz COKPQCQCYOJPCK-AWEZNQCLSA-N 0 3 338.451 3.263 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCC2(O)CCC2)c1[O-] ZINC000284441883 455686811 /nfs/dbraw/zinc/68/68/11/455686811.db2.gz SUMVBLGHZGOMBX-NSHDSACASA-N 0 3 328.250 3.419 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC2(N3CCCCC3)CCOCC2)c1 ZINC000186019280 455676663 /nfs/dbraw/zinc/67/66/63/455676663.db2.gz YGOCQQSDBMIUQZ-MRXNPFEDSA-N 0 3 348.487 3.087 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCc2nc3c(cccc3F)n2C)c1 ZINC000186039119 455681775 /nfs/dbraw/zinc/68/17/75/455681775.db2.gz GSRYJIQBICAPJV-LBPRGKRZSA-N 0 3 343.402 3.320 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)c([O-])c1 ZINC000186191132 455712396 /nfs/dbraw/zinc/71/23/96/455712396.db2.gz IGIAACNPWSPPHL-SJLPKXTDSA-N 0 3 338.451 3.400 20 10 EGCDHN CCOc1ccc([O-])c(C[NH2+][C@H]2CCO[C@@H]2c2ccnn2C(C)C)c1 ZINC000284862695 455753690 /nfs/dbraw/zinc/75/36/90/455753690.db2.gz YEKFPTXFBIJBJC-LPHOPBHVSA-N 0 3 345.443 3.188 20 10 EGCDHN CCOc1cccc(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c1[O-] ZINC000186449073 455771699 /nfs/dbraw/zinc/77/16/99/455771699.db2.gz BRVFXJMHGDTWOB-HXUWFJFHSA-N 0 3 325.408 3.422 20 10 EGCDHN CCOc1cccc(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)c1[O-] ZINC000186449073 455771703 /nfs/dbraw/zinc/77/17/03/455771703.db2.gz BRVFXJMHGDTWOB-HXUWFJFHSA-N 0 3 325.408 3.422 20 10 EGCDHN CCCOc1ccc(C[N@@H+]2CCSC3(CCOCC3)C2)c([O-])c1 ZINC000186481290 455777850 /nfs/dbraw/zinc/77/78/50/455777850.db2.gz VPKLJFVQANZJJJ-UHFFFAOYSA-N 0 3 337.485 3.279 20 10 EGCDHN CCCOc1ccc(C[N@H+]2CCSC3(CCOCC3)C2)c([O-])c1 ZINC000186481290 455777856 /nfs/dbraw/zinc/77/78/56/455777856.db2.gz VPKLJFVQANZJJJ-UHFFFAOYSA-N 0 3 337.485 3.279 20 10 EGCDHN CC(C)C(=O)NCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000293216024 455778382 /nfs/dbraw/zinc/77/83/82/455778382.db2.gz AEGMIRWAKCGRIE-IBGZPJMESA-N 0 3 340.467 3.428 20 10 EGCDHN CCOc1cccc(CN[C@@H](c2cccnc2)C(C)(C)CO)c1O ZINC000293690263 455794425 /nfs/dbraw/zinc/79/44/25/455794425.db2.gz QNLLBPRDLPQPSP-SFHVURJKSA-N 0 3 330.428 3.035 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2c(C)cccc2C)c1 ZINC000271879025 455796669 /nfs/dbraw/zinc/79/66/69/455796669.db2.gz YPULWKSFXSTBCS-AWEZNQCLSA-N 0 3 328.412 3.307 20 10 EGCDHN CCC[C@](C)(N)C(=O)N(CC)Cc1cc(Br)ccc1O ZINC000269241862 455819557 /nfs/dbraw/zinc/81/95/57/455819557.db2.gz NTBJOBQYCJMMCA-HNNXBMFYSA-N 0 3 343.265 3.021 20 10 EGCDHN Cc1cc(C)c([C@H](C)[NH2+]Cc2ccccc2CS(C)(=O)=O)c([O-])c1 ZINC000294640088 455823011 /nfs/dbraw/zinc/82/30/11/455823011.db2.gz GFJFYFLZEXCJNI-HNNXBMFYSA-N 0 3 347.480 3.404 20 10 EGCDHN C=Cn1cc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cn1 ZINC000194344472 455831347 /nfs/dbraw/zinc/83/13/47/455831347.db2.gz HNJOMACNFQLAQT-OAHLLOKOSA-N 0 3 348.397 3.344 20 10 EGCDHN CCCOc1ccc(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c([O-])c1 ZINC000278429368 455835375 /nfs/dbraw/zinc/83/53/75/455835375.db2.gz SYSFFEBXVFNKAC-XJKSGUPXSA-N 0 3 347.377 3.316 20 10 EGCDHN CCCOc1ccc(C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c([O-])c1 ZINC000278429368 455835377 /nfs/dbraw/zinc/83/53/77/455835377.db2.gz SYSFFEBXVFNKAC-XJKSGUPXSA-N 0 3 347.377 3.316 20 10 EGCDHN CC[C@@H]([NH2+][C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)c1ccccc1[O-] ZINC000295171032 455841866 /nfs/dbraw/zinc/84/18/66/455841866.db2.gz UGXMDJGIMUPDGV-DLTWYDFYSA-N 0 3 332.444 3.298 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCCn2cccn2)c1[O-] ZINC000186973939 455858382 /nfs/dbraw/zinc/85/83/82/455858382.db2.gz NPLSVGYOAUPIKY-GFCCVEGCSA-N 0 3 338.249 3.401 20 10 EGCDHN COc1ccc(CNCc2ccc(NC(=O)N(C)C)cc2)cc1C ZINC000279813471 455873959 /nfs/dbraw/zinc/87/39/59/455873959.db2.gz BEWFSEUFHRJQFQ-UHFFFAOYSA-N 0 3 327.428 3.387 20 10 EGCDHN CC[C@H]([NH2+]C1CCN(c2cc(C)[nH]n2)CC1)c1ccc(C)cc1[O-] ZINC000280001551 455880194 /nfs/dbraw/zinc/88/01/94/455880194.db2.gz FYFJKVACDXAKDA-KRWDZBQOSA-N 0 3 328.460 3.442 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]CCn2cc(Br)cn2)c([O-])c1C ZINC000285605272 455880414 /nfs/dbraw/zinc/88/04/14/455880414.db2.gz ISYHSZNJWMYPGZ-GFCCVEGCSA-N 0 3 338.249 3.319 20 10 EGCDHN CC[C@H]([NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1)c1ccc(C)cc1[O-] ZINC000280056219 455882596 /nfs/dbraw/zinc/88/25/96/455882596.db2.gz JZCYJVRNVPPXTP-FHWLQOOXSA-N 0 3 332.488 3.119 20 10 EGCDHN CC[C@H]([NH2+]C[C@H](O)c1cc(OC)cc(OC)c1)c1ccc(C)cc1[O-] ZINC000280092001 455889962 /nfs/dbraw/zinc/88/99/62/455889962.db2.gz MLSKQIPCXXURAF-ICSRJNTNSA-N 0 3 345.439 3.492 20 10 EGCDHN CN(C)c1ccc(CNC[C@](C)(O)C(F)(F)F)c(C(F)(F)F)c1 ZINC000280287290 455936733 /nfs/dbraw/zinc/93/67/33/455936733.db2.gz NGYDPLQMQHASSR-LBPRGKRZSA-N 0 3 344.299 3.174 20 10 EGCDHN CCOC(=O)c1cnn(C2CC[NH+]([C@H](C)c3ccccc3[O-])CC2)c1 ZINC000296628852 455994029 /nfs/dbraw/zinc/99/40/29/455994029.db2.gz XHRPCCGMULHECC-CQSZACIVSA-N 0 3 343.427 3.164 20 10 EGCDHN CN(C)c1ccc(CNC[C@](C)(O)c2ccco2)c(C(F)(F)F)c1 ZINC000280665967 456025552 /nfs/dbraw/zinc/02/55/52/456025552.db2.gz CAVISPNTKYNSKM-INIZCTEOSA-N 0 3 342.361 3.362 20 10 EGCDHN Cc1ccc(O)c([C@@H](C)NCc2ccncc2OC[C@@H]2CCOC2)c1 ZINC000287264923 456065961 /nfs/dbraw/zinc/06/59/61/456065961.db2.gz IQZUJKXAKYIHIX-HZPDHXFCSA-N 0 3 342.439 3.362 20 10 EGCDHN COC(=O)Nc1cccc(C[NH2+][C@H](C)c2cc(OC)ccc2[O-])c1 ZINC000287703505 456076610 /nfs/dbraw/zinc/07/66/10/456076610.db2.gz XEVOIWBHQXHTRC-GFCCVEGCSA-N 0 3 330.384 3.430 20 10 EGCDHN COC(=O)Nc1cccc(CN[C@H](C)c2cc(OC)ccc2O)c1 ZINC000287703505 456076616 /nfs/dbraw/zinc/07/66/16/456076616.db2.gz XEVOIWBHQXHTRC-GFCCVEGCSA-N 0 3 330.384 3.430 20 10 EGCDHN C[C@@H](NC(=O)N(C)Cc1ccccc1O)[C@@H](c1ccccc1)N(C)C ZINC000288150276 456088628 /nfs/dbraw/zinc/08/86/28/456088628.db2.gz NVJNQGQCJSSLAX-BEFAXECRSA-N 0 3 341.455 3.225 20 10 EGCDHN C[C@H](CCOCc1ccccc1)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000288479211 456097067 /nfs/dbraw/zinc/09/70/67/456097067.db2.gz PQQDJQIFVVCIHD-CQSZACIVSA-N 0 3 329.396 3.206 20 10 EGCDHN Cc1ccc(O)c(CN[C@H](CO)c2ccc(Br)cc2)c1 ZINC000271212963 456176664 /nfs/dbraw/zinc/17/66/64/456176664.db2.gz IDJLUWBOPUYQNE-OAHLLOKOSA-N 0 3 336.229 3.286 20 10 EGCDHN COCCOCc1ccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000297404078 456211638 /nfs/dbraw/zinc/21/16/38/456211638.db2.gz SRMZFOWLBJKUNP-GOSISDBHSA-N 0 3 327.424 3.332 20 10 EGCDHN Cc1ccc(CN2CC[C@@H](N[C@@H](C)c3cc(C)ccc3O)C2=O)cc1 ZINC000189094040 456224216 /nfs/dbraw/zinc/22/42/16/456224216.db2.gz VFOBBBSELDHJLQ-QFBILLFUSA-N 0 3 338.451 3.461 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2ccc(F)cc2)c([O-])c1C ZINC000273432967 456230554 /nfs/dbraw/zinc/23/05/54/456230554.db2.gz WIRALZKWKVPAAV-GOEBONIOSA-N 0 3 333.403 3.239 20 10 EGCDHN [O-]c1cc2c(cc1C[NH2+][C@H]1CCO[C@H](c3ccc(F)cc3)C1)OCO2 ZINC000273481056 456233067 /nfs/dbraw/zinc/23/30/67/456233067.db2.gz LGJJPHMWPWZWIH-RDJZCZTQSA-N 0 3 345.370 3.270 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](O)CCc2ccccc2)c1[O-] ZINC000273807458 456245054 /nfs/dbraw/zinc/24/50/54/456245054.db2.gz YGHGICGETOYCSW-INIZCTEOSA-N 0 3 335.831 3.138 20 10 EGCDHN CC(C)Oc1ccc([C@H](O)C[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000297546610 456247911 /nfs/dbraw/zinc/24/79/11/456247911.db2.gz FIJADKVLXIRRQK-IEBWSBKVSA-N 0 3 327.424 3.490 20 10 EGCDHN COc1ccc(C[C@@](C)(O)C[NH2+][C@H](C)c2ccccc2[O-])cc1OC ZINC000290192027 456262794 /nfs/dbraw/zinc/26/27/94/456262794.db2.gz OJKLOZYFDKUTFQ-JLTOFOAXSA-N 0 3 345.439 3.054 20 10 EGCDHN CCN(C)c1ccc([C@H](C)N[C@@H]2COc3ccccc3[C@H]2O)cc1 ZINC000290385495 456312794 /nfs/dbraw/zinc/31/27/94/456312794.db2.gz RXPFGXATUDLVIL-BOUXLOLZSA-N 0 3 326.440 3.288 20 10 EGCDHN C[C@H]([NH2+][C@H]1CCN(C(=O)Nc2ccccc2)C1)c1cc(F)ccc1[O-] ZINC000282436884 456513164 /nfs/dbraw/zinc/51/31/64/456513164.db2.gz MSZPLCAWASDJCS-BBRMVZONSA-N 0 3 343.402 3.488 20 10 EGCDHN COCCn1cc(CN[C@H](C)c2ccc(N3CCCCC3)cc2)cn1 ZINC000282784604 456624785 /nfs/dbraw/zinc/62/47/85/456624785.db2.gz PTQYNRKVJXUKHT-QGZVFWFLSA-N 0 3 342.487 3.371 20 10 EGCDHN C[C@H]([NH2+]C[C@H]1CN2CCC[C@@H]2CO1)c1ccc2ccccc2c1[O-] ZINC000325761991 456685865 /nfs/dbraw/zinc/68/58/65/456685865.db2.gz BFBXSRBYXNVDJW-UAGQMJEPSA-N 0 3 326.440 3.059 20 10 EGCDHN CN(C)c1ccc(CN[C@@H]2CCN(C(=O)Nc3ccccc3)C2)cc1 ZINC000283095868 456709095 /nfs/dbraw/zinc/70/90/95/456709095.db2.gz WULWGPCWEYGTGU-GOSISDBHSA-N 0 3 338.455 3.149 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c1[O-] ZINC000359955438 457170902 /nfs/dbraw/zinc/17/09/02/457170902.db2.gz IHKIWBKWHGYSAM-MAZHCROVSA-N 0 3 325.836 3.347 20 10 EGCDHN COc1ccc([O-])c(C[N@@H+]2CCCC[C@H]2[C@@H](O)c2ccccc2)c1 ZINC000378436699 457395696 /nfs/dbraw/zinc/39/56/96/457395696.db2.gz CWUWPDFZORJPJJ-ICSRJNTNSA-N 0 3 327.424 3.489 20 10 EGCDHN COc1ccc([O-])c(C[N@H+]2CCCC[C@H]2[C@@H](O)c2ccccc2)c1 ZINC000378436699 457395700 /nfs/dbraw/zinc/39/57/00/457395700.db2.gz CWUWPDFZORJPJJ-ICSRJNTNSA-N 0 3 327.424 3.489 20 10 EGCDHN CCOc1cccc(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1[O-] ZINC000375039273 457766548 /nfs/dbraw/zinc/76/65/48/457766548.db2.gz MPKFCVXPMLTEEW-IBGZPJMESA-N 0 3 331.387 3.024 20 10 EGCDHN CCOc1cccc(C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1[O-] ZINC000375039273 457766553 /nfs/dbraw/zinc/76/65/53/457766553.db2.gz MPKFCVXPMLTEEW-IBGZPJMESA-N 0 3 331.387 3.024 20 10 EGCDHN COc1cc(O)c(CN2CC[C@@H](Oc3ccccc3)C2)cc1OC ZINC000367221857 457933819 /nfs/dbraw/zinc/93/38/19/457933819.db2.gz SOQMJYOCNPTMGX-MRXNPFEDSA-N 0 3 329.396 3.063 20 10 EGCDHN COc1cc(O)c(CN2CC[C@H](Oc3ccccc3)C2)cc1OC ZINC000367221856 457934272 /nfs/dbraw/zinc/93/42/72/457934272.db2.gz SOQMJYOCNPTMGX-INIZCTEOSA-N 0 3 329.396 3.063 20 10 EGCDHN C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cc(Br)ccc2[O-])C1 ZINC000368131636 458013103 /nfs/dbraw/zinc/01/31/03/458013103.db2.gz AXWPYUDAGGQHLK-SWLSCSKDSA-N 0 3 339.277 3.071 20 10 EGCDHN C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cc(Br)ccc2[O-])C1 ZINC000368131636 458013111 /nfs/dbraw/zinc/01/31/11/458013111.db2.gz AXWPYUDAGGQHLK-SWLSCSKDSA-N 0 3 339.277 3.071 20 10 EGCDHN Cc1c2ccccc2n(C)c1CNCc1ccc(-n2cncn2)c(F)c1 ZINC000527237410 459613007 /nfs/dbraw/zinc/61/30/07/459613007.db2.gz FKFZVIXQXCVAAR-UHFFFAOYSA-N 0 3 349.413 3.496 20 10 EGCDHN CCOc1ccc(C[NH2+][C@@H](c2ccc(OC)nc2)C2CC2)c([O-])c1 ZINC000527842394 459756177 /nfs/dbraw/zinc/75/61/77/459756177.db2.gz XQUJQABVNMHHPU-LJQANCHMSA-N 0 3 328.412 3.435 20 10 EGCDHN CC(C)(C)C(=O)NCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000729684067 574878857 /nfs/dbraw/zinc/87/88/57/574878857.db2.gz ILRRWNXCKHBATK-UHFFFAOYSA-N 0 3 326.440 3.311 20 10 EGCDHN CC(C)(C)c1cc(O)c(O)c(CN2CCC[C@@H](n3ccnc3)C2)c1 ZINC000738159287 574884635 /nfs/dbraw/zinc/88/46/35/574884635.db2.gz RRDLKIRNCBQTAN-MRXNPFEDSA-N 0 3 329.444 3.429 20 10 EGCDHN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@H]1CCCN(C)C1 ZINC000731024961 575045590 /nfs/dbraw/zinc/04/55/90/575045590.db2.gz GOYQIBUPIQKSAT-GOSISDBHSA-N 0 3 339.483 3.474 20 10 EGCDHN CCN(CC)c1ccc(CN(C)C(=O)NC[C@@H]2CCCN(C)C2)cc1 ZINC000731123378 575056014 /nfs/dbraw/zinc/05/60/14/575056014.db2.gz DNWVYGUQNLVGAL-SFHVURJKSA-N 0 3 346.519 3.016 20 10 EGCDHN Cc1c(CN(C)c2ccc(OCCN(C)C)cc2)cccc1[N+](=O)[O-] ZINC000732410675 575268111 /nfs/dbraw/zinc/26/81/11/575268111.db2.gz GMXNLCOLABOKJN-UHFFFAOYSA-N 0 3 343.427 3.480 20 10 EGCDHN COC(=O)[C@@H]1CC12CC[NH+](Cc1cc(C(C)(C)C)cc(O)c1[O-])CC2 ZINC000733791639 575389941 /nfs/dbraw/zinc/38/99/41/575389941.db2.gz ALVZXCXCMFEZDZ-HNNXBMFYSA-N 0 3 347.455 3.170 20 10 EGCDHN [O-]c1cc2c(cc1CN1CCC[N@H+](CC3CCCCC3)CC1)OCO2 ZINC000738036583 576282294 /nfs/dbraw/zinc/28/22/94/576282294.db2.gz LPULJYQUPVKMOW-UHFFFAOYSA-N 0 3 346.471 3.209 20 10 EGCDHN [O-]c1cc2c(cc1CN1CCC[N@@H+](CC3CCCCC3)CC1)OCO2 ZINC000738036583 576282297 /nfs/dbraw/zinc/28/22/97/576282297.db2.gz LPULJYQUPVKMOW-UHFFFAOYSA-N 0 3 346.471 3.209 20 10 EGCDHN [O-]c1ccc2ccncc2c1C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000021959274 1291207299 /nfs/dbraw/zinc/20/72/99/1291207299.db2.gz DGNOIBAPYRIXPG-UHFFFAOYSA-N 0 3 333.435 3.258 20 10 EGCDHN COC1CCN(c2ccc(CN3C[C@H](C)OC4(CCC4)C3)cc2)CC1 ZINC000830740050 1292761043 /nfs/dbraw/zinc/76/10/43/1292761043.db2.gz NNCJHVLZZNLKNR-KRWDZBQOSA-N 0 3 344.499 3.445 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC[C@H](N3CCCC3=O)C2)cc1 ZINC000093278862 1292913078 /nfs/dbraw/zinc/91/30/78/1292913078.db2.gz JIFDUFCVTFSYQF-IBGZPJMESA-N 0 3 329.488 3.120 20 10 EGCDHN CC[NH+](CC)C[C@H]1CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000093692670 1292931586 /nfs/dbraw/zinc/93/15/86/1292931586.db2.gz TYIGDYUGOSPSRR-CYBMUJFWSA-N 0 3 341.293 3.318 20 10 EGCDHN CCOC(=O)N1CCC([C@H](C)[NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000834774823 1293145622 /nfs/dbraw/zinc/14/56/22/1293145622.db2.gz RSNQACTVGZJBKW-BBRMVZONSA-N 0 3 332.444 3.226 20 10 EGCDHN CC[C@@H](NCc1cccc(S(C)(=O)=O)c1)c1ccc(N(C)C)cc1 ZINC000834883350 1293163281 /nfs/dbraw/zinc/16/32/81/1293163281.db2.gz JMSUEVXFBBMOJP-LJQANCHMSA-N 0 3 346.496 3.397 20 10 EGCDHN O=C1[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C[C@H]2CCCCN12 ZINC000835074655 1293201156 /nfs/dbraw/zinc/20/11/56/1293201156.db2.gz SMBCFUOVNWBYHG-MOPGFXCFSA-N 0 3 336.435 3.302 20 10 EGCDHN CC[C@@H](NCC(=O)N(C)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000119101899 1293254047 /nfs/dbraw/zinc/25/40/47/1293254047.db2.gz GEGRXLGDJXRUTC-HXUWFJFHSA-N 0 3 339.483 3.452 20 10 EGCDHN CCN(CC)c1ccc(CNC(=O)C[C@@H](N)c2ccccc2)cc1F ZINC000119658766 1293282266 /nfs/dbraw/zinc/28/22/66/1293282266.db2.gz FJDPCNLDEWYCLD-GOSISDBHSA-N 0 3 343.446 3.378 20 10 EGCDHN CC(C)C[C@H](O)CN[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000122538833 1293416916 /nfs/dbraw/zinc/41/69/16/1293416916.db2.gz WIAPUWNVNYKLKJ-ZBFHGGJFSA-N 0 3 340.895 3.234 20 10 EGCDHN CCc1ccc(CNCc2ccc(N3CCN(CC)CC3)c(F)c2)o1 ZINC000133206310 1293738444 /nfs/dbraw/zinc/73/84/44/1293738444.db2.gz FWOHZXAPAVHVIQ-UHFFFAOYSA-N 0 3 345.462 3.413 20 10 EGCDHN [O-]c1ccc(Br)cc1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000134123111 1293764042 /nfs/dbraw/zinc/76/40/42/1293764042.db2.gz NOMPPXLWWXJENQ-HNNXBMFYSA-N 0 3 339.277 3.215 20 10 EGCDHN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000151172062 1293911078 /nfs/dbraw/zinc/91/10/78/1293911078.db2.gz LWGVGFGCIUYTLI-HNNXBMFYSA-N 0 3 331.485 3.322 20 10 EGCDHN COC(=O)C[C@H]1CSCCN1Cc1cc(C(C)C)c(C)cc1O ZINC000156344082 1294139662 /nfs/dbraw/zinc/13/96/62/1294139662.db2.gz WWHCLWFBBYEZJU-HNNXBMFYSA-N 0 3 337.485 3.305 20 10 EGCDHN COc1cc(C)cc(CN(C)CCN(C)C(=O)OC(C)(C)C)c1O ZINC000160566921 1294271024 /nfs/dbraw/zinc/27/10/24/1294271024.db2.gz VKLJQCFFXOUBKV-UHFFFAOYSA-N 0 3 338.448 3.008 20 10 EGCDHN CC[C@@H](N[C@@H](C)C(=O)NCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000177944702 1294704939 /nfs/dbraw/zinc/70/49/39/1294704939.db2.gz PKCLVAZMWAGCCI-OXJNMPFZSA-N 0 3 339.483 3.498 20 10 EGCDHN C[C@H](CN1CCOCC1)[N@H+](Cc1ccccc1)Cc1ccccc1[O-] ZINC000179569798 1294803357 /nfs/dbraw/zinc/80/33/57/1294803357.db2.gz XAOBREICAUATPB-GOSISDBHSA-N 0 3 340.467 3.115 20 10 EGCDHN C[C@H](CN1CCOCC1)[N@@H+](Cc1ccccc1)Cc1ccccc1[O-] ZINC000179569798 1294803372 /nfs/dbraw/zinc/80/33/72/1294803372.db2.gz XAOBREICAUATPB-GOSISDBHSA-N 0 3 340.467 3.115 20 10 EGCDHN COc1cc(OC)cc(OCCC[N@H+](C)Cc2ccccc2[O-])c1 ZINC000179585793 1294805980 /nfs/dbraw/zinc/80/59/80/1294805980.db2.gz AHXWDMVPIVOUDS-UHFFFAOYSA-N 0 3 331.412 3.310 20 10 EGCDHN COc1cc(OC)cc(OCCC[N@@H+](C)Cc2ccccc2[O-])c1 ZINC000179585793 1294805990 /nfs/dbraw/zinc/80/59/90/1294805990.db2.gz AHXWDMVPIVOUDS-UHFFFAOYSA-N 0 3 331.412 3.310 20 10 EGCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N(CC(C)C)CC(C)C)c1 ZINC000182360231 1295038354 /nfs/dbraw/zinc/03/83/54/1295038354.db2.gz KHBBZDWTDNGYOF-OAHLLOKOSA-N 0 3 336.476 3.192 20 10 EGCDHN C[C@H]([NH2+][C@H](CNC(=O)OC(C)(C)C)C1CC1)c1cc(F)ccc1[O-] ZINC000185534098 1295269037 /nfs/dbraw/zinc/26/90/37/1295269037.db2.gz OZASRWAHEYELSM-XHDPSFHLSA-N 0 3 338.423 3.485 20 10 EGCDHN COc1cc(Br)cc(C[NH2+][C@@H](C)Cc2ccco2)c1[O-] ZINC000725843948 1298372215 /nfs/dbraw/zinc/37/22/15/1298372215.db2.gz IWHVUSDZVDKOKX-JTQLQIEISA-N 0 3 340.217 3.477 20 10 EGCDHN COC1(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCOCC1 ZINC000746756719 1298655099 /nfs/dbraw/zinc/65/50/99/1298655099.db2.gz XBNYCGYECDJUOO-UHFFFAOYSA-N 0 3 327.424 3.344 20 10 EGCDHN Cc1cccc(O)c1CNc1ccc(CN2CCN(C)CC2)cc1 ZINC000876818974 1299012948 /nfs/dbraw/zinc/01/29/48/1299012948.db2.gz DIBIFVUHFWDLSJ-UHFFFAOYSA-N 0 3 325.456 3.060 20 10 EGCDHN Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(C)cc3[O-])CC2)cc1 ZINC000877672350 1299468689 /nfs/dbraw/zinc/46/86/89/1299468689.db2.gz CNSBOKAESDKXBN-UHFFFAOYSA-N 0 3 338.451 3.403 20 10 EGCDHN CN(C)c1cc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)ccn1 ZINC000754058133 1300073718 /nfs/dbraw/zinc/07/37/18/1300073718.db2.gz LYQNOELVWDQZRU-SFHVURJKSA-N 0 3 341.455 3.034 20 10 EGCDHN CC(C)CN1CCO[C@H](C[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)C1 ZINC000756355667 1300474423 /nfs/dbraw/zinc/47/44/23/1300474423.db2.gz QQKOHZUTQBEGMM-LZWOXQAQSA-N 0 3 336.451 3.026 20 10 EGCDHN CCC(CC)[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])N1CCOCC1 ZINC000756402755 1300484766 /nfs/dbraw/zinc/48/47/66/1300484766.db2.gz YJACWNVHAKPLCJ-KSSFIOAISA-N 0 3 338.467 3.319 20 10 EGCDHN Cc1cccc(C(=O)NCC[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)c1 ZINC000756461390 1300497195 /nfs/dbraw/zinc/49/71/95/1300497195.db2.gz SGSNOYQXKCIMBP-CJNGLKHVSA-N 0 3 342.414 3.408 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2cccc(F)c2)c2c1c(F)ccc2[O-] ZINC000756462134 1300497624 /nfs/dbraw/zinc/49/76/24/1300497624.db2.gz ZWJDWJWPYWKYEW-FFSVYQOJSA-N 0 3 349.377 3.248 20 10 EGCDHN CNC(=O)c1cccc(C[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)c1 ZINC000756465850 1300498840 /nfs/dbraw/zinc/49/88/40/1300498840.db2.gz MDOGOJMPKNMDGR-XHDPSFHLSA-N 0 3 328.387 3.229 20 10 EGCDHN CC(C)[C@H]([NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F)C(=O)N1CCCC1 ZINC000756707280 1300550750 /nfs/dbraw/zinc/55/07/50/1300550750.db2.gz XPMZTRGCWKYQHW-YEWDVWPNSA-N 0 3 334.435 3.316 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+][C@H]2CCOC3(CCOCC3)C2)c2c1c(F)ccc2[O-] ZINC000756766596 1300562945 /nfs/dbraw/zinc/56/29/45/1300562945.db2.gz XEAJUJRPGXHRNY-VNHYZAJKSA-N 0 3 335.419 3.397 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+]CC(=O)NCCc2ccccc2)c2c1c(F)ccc2[O-] ZINC000756818542 1300570895 /nfs/dbraw/zinc/57/08/95/1300570895.db2.gz PPCHBXVRNWSEQI-CJNGLKHVSA-N 0 3 342.414 3.028 20 10 EGCDHN CCOc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000879648151 1300647159 /nfs/dbraw/zinc/64/71/59/1300647159.db2.gz ADBSNBOOXGWBAP-KGLIPLIRSA-N 0 3 328.412 3.469 20 10 EGCDHN C[C@@H]([NH2+]CC(=O)N[C@@H](C)Cc1c(F)cccc1F)c1ccccc1[O-] ZINC000879648413 1300647986 /nfs/dbraw/zinc/64/79/86/1300647986.db2.gz NSCMKSGXTICGHA-QWHCGFSZSA-N 0 3 348.393 3.068 20 10 EGCDHN COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648785 1300649954 /nfs/dbraw/zinc/64/99/54/1300649954.db2.gz DULFPNIYSOTDOZ-ILXRZTDVSA-N 0 3 342.439 3.317 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)C(=O)NCC3)c2c1c(F)ccc2[O-] ZINC000757660660 1300706464 /nfs/dbraw/zinc/70/64/64/1300706464.db2.gz IPLMTPGHUKSSCW-BDJLRTHQSA-N 0 3 340.398 3.155 20 10 EGCDHN CCOc1ccc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)c([O-])c1 ZINC000758521324 1300901420 /nfs/dbraw/zinc/90/14/20/1300901420.db2.gz CMVQNKMKUYFCOQ-UYAOXDASSA-N 0 3 345.414 3.186 20 10 EGCDHN [O-]c1ccccc1C[NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000758578205 1300915803 /nfs/dbraw/zinc/91/58/03/1300915803.db2.gz BSMFZNIXKQMQBP-WOJBJXKFSA-N 0 3 329.415 3.395 20 10 EGCDHN CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)[C@@]12CCCO2 ZINC000760881582 1301357588 /nfs/dbraw/zinc/35/75/88/1301357588.db2.gz QEAJYPYQQMIJBQ-RMGVILHYSA-N 0 3 335.419 3.396 20 10 EGCDHN Cc1nccn1CCN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765514259 1302276081 /nfs/dbraw/zinc/27/60/81/1302276081.db2.gz NTLKWXVNKKJJDV-AWEZNQCLSA-N 0 3 348.878 3.032 20 10 EGCDHN CCOc1cccc(CN2CCN(Cc3cccc(C)c3)CC2)c1O ZINC000768194869 1302853366 /nfs/dbraw/zinc/85/33/66/1302853366.db2.gz HEHBRKYVONOTAT-UHFFFAOYSA-N 0 3 340.467 3.417 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1)[C@@H](O)CO2 ZINC000768441025 1302902902 /nfs/dbraw/zinc/90/29/02/1302902902.db2.gz CPVQSTCRSXTSAQ-LPHOPBHVSA-N 0 3 343.398 3.164 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]1Cc1ccc(F)cc1)[C@@H](O)CO2 ZINC000768441025 1302902913 /nfs/dbraw/zinc/90/29/13/1302902913.db2.gz CPVQSTCRSXTSAQ-LPHOPBHVSA-N 0 3 343.398 3.164 20 10 EGCDHN CC(C)[N@H+](Cc1cccc(F)c1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768442165 1302902989 /nfs/dbraw/zinc/90/29/89/1302902989.db2.gz JYRKBISYMMMBME-GOSISDBHSA-N 0 3 331.387 3.368 20 10 EGCDHN CC(C)[N@@H+](Cc1cccc(F)c1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768442165 1302902994 /nfs/dbraw/zinc/90/29/94/1302902994.db2.gz JYRKBISYMMMBME-GOSISDBHSA-N 0 3 331.387 3.368 20 10 EGCDHN Cc1ccc(C[C@H]2CCC[N@@H+]2Cc2cc3c(cc2[O-])OC[C@H]3O)cc1 ZINC000768444465 1302906346 /nfs/dbraw/zinc/90/63/46/1302906346.db2.gz BMBFEAXQLHZNCD-YLJYHZDGSA-N 0 3 339.435 3.334 20 10 EGCDHN Cc1ccc(C[C@H]2CCC[N@H+]2Cc2cc3c(cc2[O-])OC[C@H]3O)cc1 ZINC000768444465 1302906356 /nfs/dbraw/zinc/90/63/56/1302906356.db2.gz BMBFEAXQLHZNCD-YLJYHZDGSA-N 0 3 339.435 3.334 20 10 EGCDHN Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1cc3c(cc1[O-])OC[C@@H]3O)CCC2 ZINC000768449592 1302909431 /nfs/dbraw/zinc/90/94/31/1302909431.db2.gz WQCFROFOUFEJCE-HOCLYGCPSA-N 0 3 346.452 3.092 20 10 EGCDHN Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cc3c(cc1[O-])OC[C@@H]3O)CCC2 ZINC000768449592 1302909438 /nfs/dbraw/zinc/90/94/38/1302909438.db2.gz WQCFROFOUFEJCE-HOCLYGCPSA-N 0 3 346.452 3.092 20 10 EGCDHN C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768462723 1302910826 /nfs/dbraw/zinc/91/08/26/1302910826.db2.gz CFRSLQQTJVVQBC-VVFCZOMOSA-N 0 3 325.408 3.196 20 10 EGCDHN C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768462723 1302910835 /nfs/dbraw/zinc/91/08/35/1302910835.db2.gz CFRSLQQTJVVQBC-VVFCZOMOSA-N 0 3 325.408 3.196 20 10 EGCDHN CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)C1(CC)CC ZINC000768463454 1302911101 /nfs/dbraw/zinc/91/11/01/1302911101.db2.gz JGSJPLJOAXIQBE-NZSAHSFTSA-N 0 3 349.471 3.234 20 10 EGCDHN CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)C1(CC)CC ZINC000768463454 1302911108 /nfs/dbraw/zinc/91/11/08/1302911108.db2.gz JGSJPLJOAXIQBE-NZSAHSFTSA-N 0 3 349.471 3.234 20 10 EGCDHN CCC[N@H+](Cc1cc(Br)cc(OC)c1[O-])CC(C)(C)O ZINC000769326672 1303092656 /nfs/dbraw/zinc/09/26/56/1303092656.db2.gz MCDZMEPRYWVBIJ-UHFFFAOYSA-N 0 3 346.265 3.146 20 10 EGCDHN CCC[N@@H+](Cc1cc(Br)cc(OC)c1[O-])CC(C)(C)O ZINC000769326672 1303092661 /nfs/dbraw/zinc/09/26/61/1303092661.db2.gz MCDZMEPRYWVBIJ-UHFFFAOYSA-N 0 3 346.265 3.146 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC[C@H]2[C@H](O)C(F)(F)F)cc1 ZINC000769382919 1303102231 /nfs/dbraw/zinc/10/22/31/1303102231.db2.gz YUTGSZKAWOLPSQ-HOTGVXAUSA-N 0 3 330.394 3.420 20 10 EGCDHN C[NH+](C)CCOC1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000769383133 1303102285 /nfs/dbraw/zinc/10/22/85/1303102285.db2.gz CJHJBHPIQSCFPJ-UHFFFAOYSA-N 0 3 347.286 3.242 20 10 EGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000770752362 1303313748 /nfs/dbraw/zinc/31/37/48/1303313748.db2.gz NUEAIQOMGVSDLJ-CTNGQTDRSA-N 0 3 339.435 3.487 20 10 EGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@@H](CO)C[C@H]1CCCO1 ZINC000886228601 1303404009 /nfs/dbraw/zinc/40/40/09/1303404009.db2.gz BVYNNEKTTATBPU-RTBURBONSA-N 0 3 327.424 3.079 20 10 EGCDHN C[C@@H](NCc1ccc(-n2cncn2)c(F)c1)c1ccc(N(C)C)cc1 ZINC000775365840 1303947325 /nfs/dbraw/zinc/94/73/25/1303947325.db2.gz XYHQOFXBGIPHHG-CQSZACIVSA-N 0 3 339.418 3.323 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCC(=O)N(C)[C@H](C)c2ccccc2)c1 ZINC000775371451 1303948593 /nfs/dbraw/zinc/94/85/93/1303948593.db2.gz XYFVSCUHEJTXIW-LSDHHAIUSA-N 0 3 342.439 3.271 20 10 EGCDHN CC[C@H]([NH2+]C[C@@H](C)N1CCN(CC)CC1)c1cc(Cl)ccc1[O-] ZINC000775486447 1303972296 /nfs/dbraw/zinc/97/22/96/1303972296.db2.gz BCUUCJLQLAEZNE-PBHICJAKSA-N 0 3 339.911 3.112 20 10 EGCDHN Cc1cc([C@@H]2CCCN2Cc2ccc(N3CCN(C)CC3)cc2)no1 ZINC000775651090 1304005256 /nfs/dbraw/zinc/00/52/56/1304005256.db2.gz XMNDEKBIHGGUMQ-FQEVSTJZSA-N 0 3 340.471 3.072 20 10 EGCDHN C[C@H]1[C@H](C)N(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCN1C ZINC000775987840 1304075926 /nfs/dbraw/zinc/07/59/26/1304075926.db2.gz WMHSYIRZZXEIOO-HOTGVXAUSA-N 0 3 346.475 3.110 20 10 EGCDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2OC)[C@H]1Oc1ccccc1 ZINC000776007184 1304078334 /nfs/dbraw/zinc/07/83/34/1304078334.db2.gz MDYAJZYZYRUHFN-NSISKUIASA-N 0 3 343.423 3.115 20 10 EGCDHN CO[C@H](C[NH2+]Cc1cc(Br)cc(C)c1[O-])C(F)(F)F ZINC000776174306 1304106995 /nfs/dbraw/zinc/10/69/95/1304106995.db2.gz LWMIVDAJGSYJMG-SNVBAGLBSA-N 0 3 342.155 3.130 20 10 EGCDHN CC[C@H](C[C@@H](C)CO)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000776217961 1304116023 /nfs/dbraw/zinc/11/60/23/1304116023.db2.gz CSYMZIQHCGAQCI-QMTHXVAHSA-N 0 3 330.266 3.350 20 10 EGCDHN COc1ccc(O)c(CN[C@H](CO)c2ccc(C(F)(F)F)cc2)c1 ZINC000776254462 1304122419 /nfs/dbraw/zinc/12/24/19/1304122419.db2.gz WSTFUIQFBCIOCY-OAHLLOKOSA-N 0 3 341.329 3.243 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+](C)C[C@@H]2CCCC[C@H]2O)c1[O-] ZINC000779152571 1304535074 /nfs/dbraw/zinc/53/50/74/1304535074.db2.gz CDBJHYSLBCUCJK-SWLSCSKDSA-N 0 3 342.277 3.446 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+](C)C[C@@H]2CCCC[C@H]2O)c1[O-] ZINC000779152571 1304535078 /nfs/dbraw/zinc/53/50/78/1304535078.db2.gz CDBJHYSLBCUCJK-SWLSCSKDSA-N 0 3 342.277 3.446 20 10 EGCDHN Cc1cc(CN(C)C)cc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000779543597 1304582118 /nfs/dbraw/zinc/58/21/18/1304582118.db2.gz XLWPNFQSCIIWMR-FNORWQNLSA-N 0 3 326.396 3.120 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1/C=C\c1ccccc1)[C@H](O)CO2 ZINC000779890386 1304619305 /nfs/dbraw/zinc/61/93/05/1304619305.db2.gz VZUMGZUGXKDMPT-WSMAHZFNSA-N 0 3 337.419 3.496 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1/C=C\c1ccccc1)[C@H](O)CO2 ZINC000779890386 1304619309 /nfs/dbraw/zinc/61/93/09/1304619309.db2.gz VZUMGZUGXKDMPT-WSMAHZFNSA-N 0 3 337.419 3.496 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@@H]([C@@H](C)O)C2)c1[O-] ZINC000780891998 1304748787 /nfs/dbraw/zinc/74/87/87/1304748787.db2.gz FZZWCBQKKDTMIT-VXGBXAGGSA-N 0 3 328.250 3.056 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)c1[O-] ZINC000780891998 1304748789 /nfs/dbraw/zinc/74/87/89/1304748789.db2.gz FZZWCBQKKDTMIT-VXGBXAGGSA-N 0 3 328.250 3.056 20 10 EGCDHN CCN(CC)c1ccc(CN(C)CCn2c(C)csc2=O)cc1 ZINC000781623283 1304850311 /nfs/dbraw/zinc/85/03/11/1304850311.db2.gz CIUSEKJYONOXGC-UHFFFAOYSA-N 0 3 333.501 3.196 20 10 EGCDHN CSCC1(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC000891247310 1304999633 /nfs/dbraw/zinc/99/96/33/1304999633.db2.gz UARQHOXCMMEPGZ-KRWDZBQOSA-N 0 3 349.544 3.005 20 10 EGCDHN Cc1sccc1CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248749 1305000722 /nfs/dbraw/zinc/00/07/22/1305000722.db2.gz NRNAOPASLJBMBN-GOSISDBHSA-N 0 3 345.512 3.084 20 10 EGCDHN C[C@H]([NH2+][C@H]1CCN(CCCc2ccccc2)C1=O)c1ccccc1[O-] ZINC000783517708 1305101674 /nfs/dbraw/zinc/10/16/74/1305101674.db2.gz IAAOHMFHHCENIP-LPHOPBHVSA-N 0 3 338.451 3.277 20 10 EGCDHN COc1ccc(CN2CCC[C@@H]2c2cccc(C)n2)c(O)c1OC ZINC000892051916 1305238873 /nfs/dbraw/zinc/23/88/73/1305238873.db2.gz BOHWRTDGFSOSOX-MRXNPFEDSA-N 0 3 328.412 3.450 20 10 EGCDHN COc1ccc(C2(C[NH2+]Cc3cc4c(cc3[O-])OCO4)CCC2)cc1 ZINC000784657354 1305268951 /nfs/dbraw/zinc/26/89/51/1305268951.db2.gz WVWUICWBBGDNCC-UHFFFAOYSA-N 0 3 341.407 3.341 20 10 EGCDHN CC[C@H](NCc1ccc(S(C)(=O)=O)s1)c1ccccc1O ZINC000786958066 1305666122 /nfs/dbraw/zinc/66/61/22/1305666122.db2.gz LNSACYKQQDBSTN-ZDUSSCGKSA-N 0 3 325.455 3.098 20 10 EGCDHN CC[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1ccccc1[O-] ZINC000786958066 1305666128 /nfs/dbraw/zinc/66/61/28/1305666128.db2.gz LNSACYKQQDBSTN-ZDUSSCGKSA-N 0 3 325.455 3.098 20 10 EGCDHN CC1CCN(c2ccc(CNC(=O)[C@H]3CCCN3C3CC3)cc2)CC1 ZINC000787333052 1305733597 /nfs/dbraw/zinc/73/35/97/1305733597.db2.gz VAVWDUWBYCMFDC-HXUWFJFHSA-N 0 3 341.499 3.166 20 10 EGCDHN CCC(O)(CC)CC[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000788077297 1305860616 /nfs/dbraw/zinc/86/06/16/1305860616.db2.gz LNRLDBUSGUBELR-UHFFFAOYSA-N 0 3 346.265 3.194 20 10 EGCDHN COc1ccc(CN2C[C@H](C)C[C@H]2c2cccnc2)c(O)c1OC ZINC000893572672 1305974343 /nfs/dbraw/zinc/97/43/43/1305974343.db2.gz SMUFJFQLXNJCDS-CJNGLKHVSA-N 0 3 328.412 3.388 20 10 EGCDHN COc1cc(C)cc(CNCC(=O)Nc2c(C)cccc2C)c1O ZINC000894385833 1306371432 /nfs/dbraw/zinc/37/14/32/1306371432.db2.gz ZGXPXKTUUMIFKP-UHFFFAOYSA-N 0 3 328.412 3.054 20 10 EGCDHN COC1CCN(CC[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])CC1 ZINC000808700143 1317717104 /nfs/dbraw/zinc/71/71/04/1317717104.db2.gz CUYIHDDPMCLMNZ-CYBMUJFWSA-N 0 3 326.868 3.115 20 10 EGCDHN COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccc([O-])c(F)c3)C2)cc1 ZINC000895007223 1309154921 /nfs/dbraw/zinc/15/49/21/1309154921.db2.gz ZNCNTSPTEVKMOW-HNNXBMFYSA-N 0 3 330.403 3.156 20 10 EGCDHN C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000792979054 1309275646 /nfs/dbraw/zinc/27/56/46/1309275646.db2.gz FNSVZMSHEUJCAC-COXVUDFISA-N 0 3 338.879 3.025 20 10 EGCDHN COCCC1([NH2+]Cc2cc(Br)cc(OC)c2[O-])CCC1 ZINC000793330046 1309348550 /nfs/dbraw/zinc/34/85/50/1309348550.db2.gz UNGMNSUFLODEFS-UHFFFAOYSA-N 0 3 344.249 3.212 20 10 EGCDHN Cc1nn(C(C)C)cc1CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000798494550 1310371617 /nfs/dbraw/zinc/37/16/17/1310371617.db2.gz QODWDZHRCGAUSO-MRXNPFEDSA-N 0 3 342.487 3.460 20 10 EGCDHN CC(C)N(CC1CC1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899096420 1310932533 /nfs/dbraw/zinc/93/25/33/1310932533.db2.gz UEOLUBQFVIBJIY-IBGZPJMESA-N 0 3 346.519 3.185 20 10 EGCDHN COCc1csc(CN(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000824534485 1320263471 /nfs/dbraw/zinc/26/34/71/1320263471.db2.gz DWBHBGDMVOXWHD-UHFFFAOYSA-N 0 3 346.496 3.363 20 10 EGCDHN C[C@@H](NCC1=CCCOC1)c1ccc(N2CCOCC2)cc1Cl ZINC000806177630 1317470182 /nfs/dbraw/zinc/47/01/82/1317470182.db2.gz DVHDIYJZPJJAOM-CQSZACIVSA-N 0 3 336.863 3.174 20 10 EGCDHN CN(C)c1cc(F)c(CNC[C@@H](CO)c2ccc(F)cc2)cc1F ZINC000858178679 1328703995 /nfs/dbraw/zinc/70/39/95/1328703995.db2.gz PFYHAUHKYCYYHY-AWEZNQCLSA-N 0 3 338.373 3.036 20 10 EGCDHN CC[C@@H](C)N[C@H](CNC(=O)N(C)Cc1ccccc1O)c1ccco1 ZINC000807441344 1317566112 /nfs/dbraw/zinc/56/61/12/1317566112.db2.gz GFNQFFRXRLGBJN-GDBMZVCRSA-N 0 3 345.443 3.256 20 10 EGCDHN Cc1ccc(O)c(CNC(=O)NC[C@H](C)N(C)Cc2ccccc2)c1 ZINC000858209627 1328712171 /nfs/dbraw/zinc/71/21/71/1328712171.db2.gz QHTRFYBDKSOEEG-INIZCTEOSA-N 0 3 341.455 3.020 20 10 EGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCCc3c2cnn3CCO)c1[O-] ZINC000808680819 1317715896 /nfs/dbraw/zinc/71/58/96/1317715896.db2.gz PSOXYCXBYCBGEA-WBMJQRKESA-N 0 3 349.862 3.271 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)[C@H](C)N2CCOCC2)c1[O-] ZINC000808690686 1317716329 /nfs/dbraw/zinc/71/63/29/1317716329.db2.gz BMWPOSRCIPBYFF-RDBSUJKOSA-N 0 3 326.868 3.114 20 10 EGCDHN CCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000809750219 1317890503 /nfs/dbraw/zinc/89/05/03/1317890503.db2.gz WHCXWOGYVQIZOX-HNNXBMFYSA-N 0 3 335.444 3.345 20 10 EGCDHN CCOc1ccc(C[N@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000809750219 1317890509 /nfs/dbraw/zinc/89/05/09/1317890509.db2.gz WHCXWOGYVQIZOX-HNNXBMFYSA-N 0 3 335.444 3.345 20 10 EGCDHN CN1CCN(c2ccc(CNc3cc4c(cn3)CCCC4)cc2)CC1 ZINC000812345529 1318371834 /nfs/dbraw/zinc/37/18/34/1318371834.db2.gz CTHBXUIZFKGZLR-UHFFFAOYSA-N 0 3 336.483 3.324 20 10 EGCDHN OC[C@@H](NCc1ccccc1O)c1ccc(Br)c(F)c1 ZINC000813791477 1318633845 /nfs/dbraw/zinc/63/38/45/1318633845.db2.gz BOZDZFXCFMHAAX-CQSZACIVSA-N 0 3 340.192 3.117 20 10 EGCDHN CCNC(=O)OC[C@@H]1CCCCN1Cc1ccc(N(C)CC)cc1 ZINC000815116430 1318898603 /nfs/dbraw/zinc/89/86/03/1318898603.db2.gz MTNYGQZXGRLTIB-SFHVURJKSA-N 0 3 333.476 3.243 20 10 EGCDHN CCOCC(C)(C)[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000815147878 1318913609 /nfs/dbraw/zinc/91/36/09/1318913609.db2.gz HKNJXEJFPDOBFU-UHFFFAOYSA-N 0 3 332.238 3.068 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c2c1c(F)ccc2[O-] ZINC000817939862 1319468665 /nfs/dbraw/zinc/46/86/65/1319468665.db2.gz CSNPIYXYMYHSDE-OAUYIBNBSA-N 0 3 343.446 3.435 20 10 EGCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@@H]1C[C@H](F)CN1 ZINC000817975824 1319482632 /nfs/dbraw/zinc/48/26/32/1319482632.db2.gz CVAFPKAPGAIMDW-LNLFQRSKSA-N 0 3 328.431 3.356 20 10 EGCDHN O=C(CCCc1ccccc1)NCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000818352713 1319533386 /nfs/dbraw/zinc/53/33/86/1319533386.db2.gz OKRUPDWASPKIFM-SFHVURJKSA-N 0 3 338.451 3.108 20 10 EGCDHN C[C@@H]1CSC[C@H]1[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000823855604 1320211798 /nfs/dbraw/zinc/21/17/98/1320211798.db2.gz YXZXRUYRHCXMJW-UHOFOFEASA-N 0 3 340.920 3.351 20 10 EGCDHN COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000824701891 1320278590 /nfs/dbraw/zinc/27/85/90/1320278590.db2.gz DONZMOWNPPLPJS-MSOLQXFVSA-N 0 3 325.408 3.491 20 10 EGCDHN COc1cccc([O-])c1C[N@@H+]1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000824738740 1320281418 /nfs/dbraw/zinc/28/14/18/1320281418.db2.gz QOGCUAFYTLYSCI-UHFFFAOYSA-N 0 3 342.443 3.253 20 10 EGCDHN COc1cccc([O-])c1C[N@H+]1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000824738740 1320281423 /nfs/dbraw/zinc/28/14/23/1320281423.db2.gz QOGCUAFYTLYSCI-UHFFFAOYSA-N 0 3 342.443 3.253 20 10 EGCDHN C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccc(Br)cc2[O-])C1 ZINC000825935597 1320372309 /nfs/dbraw/zinc/37/23/09/1320372309.db2.gz YLLGZRMJPNCKGK-IUODEOHRSA-N 0 3 339.277 3.071 20 10 EGCDHN C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccc(Br)cc2[O-])C1 ZINC000825935597 1320372312 /nfs/dbraw/zinc/37/23/12/1320372312.db2.gz YLLGZRMJPNCKGK-IUODEOHRSA-N 0 3 339.277 3.071 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)C(=O)NC(C)C)c1[O-] ZINC000840890804 1321171917 /nfs/dbraw/zinc/17/19/17/1321171917.db2.gz OPPHRJIRRASYLA-WDEREUQCSA-N 0 3 343.265 3.027 20 10 EGCDHN Cc1cc(N(C)C)ccc1CNCc1cccc(C(=O)N(C)C)c1 ZINC000840929811 1321179761 /nfs/dbraw/zinc/17/97/61/1321179761.db2.gz XXWCTGHBRYVUJV-UHFFFAOYSA-N 0 3 325.456 3.053 20 10 EGCDHN COc1cc(C)cc(CN2CCC(OC)(C(F)(F)F)CC2)c1O ZINC000841688643 1321297367 /nfs/dbraw/zinc/29/73/67/1321297367.db2.gz KSMVFYKPEHTYQX-UHFFFAOYSA-N 0 3 333.350 3.253 20 10 EGCDHN C[C@@H](NC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000859258994 1328956425 /nfs/dbraw/zinc/95/64/25/1328956425.db2.gz ZDFNGRDVALFSSE-JKSUJKDBSA-N 0 3 325.456 3.281 20 10 EGCDHN CCC[N@H+](Cc1cc(Br)ccc1[O-])C1CCNCC1 ZINC000843045000 1321460370 /nfs/dbraw/zinc/46/03/70/1321460370.db2.gz PNLYIXRUFXDULZ-UHFFFAOYSA-N 0 3 327.266 3.119 20 10 EGCDHN CCC[N@@H+](Cc1cc(Br)ccc1[O-])C1CCNCC1 ZINC000843045000 1321460373 /nfs/dbraw/zinc/46/03/73/1321460373.db2.gz PNLYIXRUFXDULZ-UHFFFAOYSA-N 0 3 327.266 3.119 20 10 EGCDHN COc1cccc([O-])c1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000843416690 1321514863 /nfs/dbraw/zinc/51/48/63/1321514863.db2.gz KNYGJCZJDCWVJP-QWHCGFSZSA-N 0 3 338.448 3.182 20 10 EGCDHN COC(=O)/C=C/c1ccc(CNCCCSc2nccs2)o1 ZINC000848896979 1322035502 /nfs/dbraw/zinc/03/55/02/1322035502.db2.gz CJIJBSIUFZQHAN-AATRIKPKSA-N 0 3 338.454 3.194 20 10 EGCDHN Oc1cc2c(cc1CNC[C@H](OC1CCCC1)C(F)(F)F)OCO2 ZINC000850356391 1322233918 /nfs/dbraw/zinc/23/39/18/1322233918.db2.gz VQJZWIUWGRJJOB-HNNXBMFYSA-N 0 3 347.333 3.101 20 10 EGCDHN OC1CCN(c2ccc(CN[C@H]3CCCc4occc43)cc2)CC1 ZINC000850568412 1322269935 /nfs/dbraw/zinc/26/99/35/1322269935.db2.gz XBEZJIUEFVDKTO-IBGZPJMESA-N 0 3 326.440 3.408 20 10 EGCDHN C[N@H+](CC[C@H]1Sc2ccccc2NC1=O)Cc1ccccc1[O-] ZINC000851841894 1323100527 /nfs/dbraw/zinc/10/05/27/1323100527.db2.gz ZJAFQRWOSXLGKH-QGZVFWFLSA-N 0 3 328.437 3.327 20 10 EGCDHN C[N@@H+](CC[C@H]1Sc2ccccc2NC1=O)Cc1ccccc1[O-] ZINC000851841894 1323100532 /nfs/dbraw/zinc/10/05/32/1323100532.db2.gz ZJAFQRWOSXLGKH-QGZVFWFLSA-N 0 3 328.437 3.327 20 10 EGCDHN CCN(C)c1ccc(CN[C@H](c2cccnc2)C(C)(C)CO)cc1 ZINC000852091877 1323144311 /nfs/dbraw/zinc/14/43/11/1323144311.db2.gz KYLPPBQMJKQSHZ-LJQANCHMSA-N 0 3 327.472 3.387 20 10 EGCDHN C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)C1(Cl)CC1 ZINC000924760183 1323148126 /nfs/dbraw/zinc/14/81/26/1323148126.db2.gz OPZFTYHXTSXOLK-LBPRGKRZSA-N 0 3 326.843 3.036 20 10 EGCDHN CCOc1cncc(CNCc2ccc(N3CCSCC3)cc2)c1 ZINC000856765466 1325521658 /nfs/dbraw/zinc/52/16/58/1325521658.db2.gz DJYSYBKBQUIAOO-UHFFFAOYSA-N 0 3 343.496 3.323 20 10 EGCDHN C[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@@H]1CO ZINC000857060996 1325565324 /nfs/dbraw/zinc/56/53/24/1325565324.db2.gz HSYSPIJYFYCPMI-QFBILLFUSA-N 0 3 341.451 3.422 20 10 EGCDHN C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@@H]1CO ZINC000857060996 1325565329 /nfs/dbraw/zinc/56/53/29/1325565329.db2.gz HSYSPIJYFYCPMI-QFBILLFUSA-N 0 3 341.451 3.422 20 10 EGCDHN CC[N@@H+]1CC[C@H](N(C)Cc2c([O-])cccc2Br)C[C@H]1C ZINC000862248758 1329471043 /nfs/dbraw/zinc/47/10/43/1329471043.db2.gz RAVIZZRRFNCWFI-OLZOCXBDSA-N 0 3 341.293 3.459 20 10 EGCDHN CC[N@H+]1CC[C@H](N(C)Cc2c([O-])cccc2Br)C[C@H]1C ZINC000862248758 1329471044 /nfs/dbraw/zinc/47/10/44/1329471044.db2.gz RAVIZZRRFNCWFI-OLZOCXBDSA-N 0 3 341.293 3.459 20 10 EGCDHN COc1cccc(O)c1CN1CCN(c2cccc3[nH]ccc32)CC1 ZINC000862518483 1329491934 /nfs/dbraw/zinc/49/19/34/1329491934.db2.gz UIJXJIBBSFFPMB-UHFFFAOYSA-N 0 3 337.423 3.204 20 10 EGCDHN COc1ccc(CNCc2ccc(CNC(=O)C3CC3)cc2)cc1C ZINC001034805788 1342770760 /nfs/dbraw/zinc/77/07/60/1342770760.db2.gz LMVWXGJSSXOXON-UHFFFAOYSA-N 0 3 338.451 3.320 20 10 EGCDHN COc1ccc(Br)c(C[N@H+](C)CC2CCOCC2)c1[O-] ZINC001231548207 1376261254 /nfs/dbraw/zinc/26/12/54/1376261254.db2.gz PKRWZRWYVLNUDT-UHFFFAOYSA-N 0 3 344.249 3.022 20 10 EGCDHN COc1ccc(Br)c(C[N@@H+](C)CC2CCOCC2)c1[O-] ZINC001231548207 1376261261 /nfs/dbraw/zinc/26/12/61/1376261261.db2.gz PKRWZRWYVLNUDT-UHFFFAOYSA-N 0 3 344.249 3.022 20 10 EGCDHN C[NH+](C)CC1CCN(Cc2c([O-])cc(Br)cc2F)CC1 ZINC001233029360 1376557307 /nfs/dbraw/zinc/55/73/07/1376557307.db2.gz BKQCSTGSZKQHNG-UHFFFAOYSA-N 0 3 345.256 3.067 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)c1[O-] ZINC001233107374 1376569989 /nfs/dbraw/zinc/56/99/89/1376569989.db2.gz AORNGWMJWAVPBO-SLEUVZQESA-N 0 3 340.261 3.462 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)c1[O-] ZINC001233107374 1376570013 /nfs/dbraw/zinc/57/00/13/1376570013.db2.gz AORNGWMJWAVPBO-SLEUVZQESA-N 0 3 340.261 3.462 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@H](C)[C@@H]2CO)c1[O-] ZINC001233106797 1376570295 /nfs/dbraw/zinc/57/02/95/1376570295.db2.gz OHEAJWAHZGBWDF-HZMBPMFUSA-N 0 3 328.250 3.056 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@H](C)[C@@H]2CO)c1[O-] ZINC001233106797 1376570300 /nfs/dbraw/zinc/57/03/00/1376570300.db2.gz OHEAJWAHZGBWDF-HZMBPMFUSA-N 0 3 328.250 3.056 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)c1[O-] ZINC001233110406 1376570375 /nfs/dbraw/zinc/57/03/75/1376570375.db2.gz DMLDGHRXAOHVBM-FZMZJTMJSA-N 0 3 338.245 3.264 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)c1[O-] ZINC001233110406 1376570380 /nfs/dbraw/zinc/57/03/80/1376570380.db2.gz DMLDGHRXAOHVBM-FZMZJTMJSA-N 0 3 338.245 3.264 20 10 EGCDHN Cc1cc(Br)cc(CN2C[C@@H]3CCCC(=O)[C@H]3C2)c1O ZINC001233110406 1376570381 /nfs/dbraw/zinc/57/03/81/1376570381.db2.gz DMLDGHRXAOHVBM-FZMZJTMJSA-N 0 3 338.245 3.264 20 10 EGCDHN COc1cccc(CN2CCN(c3ccc(F)cc3C)CC2)c1O ZINC001203599525 1370183134 /nfs/dbraw/zinc/18/31/34/1370183134.db2.gz HKQJGIPSEVELHL-UHFFFAOYSA-N 0 3 330.403 3.171 20 10 EGCDHN CC[N@@H+]1CCN(Cc2cc(Br)ccc2[O-])C(C)(C)C1 ZINC001203647954 1370199477 /nfs/dbraw/zinc/19/94/77/1370199477.db2.gz AJWVWCHYRCLVRU-UHFFFAOYSA-N 0 3 327.266 3.071 20 10 EGCDHN CC[N@H+]1CCN(Cc2cc(Br)ccc2[O-])C(C)(C)C1 ZINC001203647954 1370199478 /nfs/dbraw/zinc/19/94/78/1370199478.db2.gz AJWVWCHYRCLVRU-UHFFFAOYSA-N 0 3 327.266 3.071 20 10 EGCDHN Oc1ccc(CN2CCC3(CC2)OCCc2ccccc23)cc1O ZINC001203878595 1370297539 /nfs/dbraw/zinc/29/75/39/1370297539.db2.gz DOKBOFKNXAKLGM-UHFFFAOYSA-N 0 3 325.408 3.162 20 10 EGCDHN C[C@H]1CN(Cc2ccc(N(C)C)cc2)CCN(C(=O)OC(C)(C)C)C1 ZINC001203929551 1370317637 /nfs/dbraw/zinc/31/76/37/1370317637.db2.gz GCMAKUCSIYVLPD-INIZCTEOSA-N 0 3 347.503 3.441 20 10 EGCDHN CCN(CC)c1ccc(CN2CC[C@H](Oc3ncncc3C)C2)cc1 ZINC001203946565 1370325502 /nfs/dbraw/zinc/32/55/02/1370325502.db2.gz VUDIGMRLGFLOMG-IBGZPJMESA-N 0 3 340.471 3.285 20 10 EGCDHN CC(C)(C)OC(=O)N1CCC[C@@]2(CCN2Cc2ccc(O)cc2O)C1 ZINC001204276247 1370429109 /nfs/dbraw/zinc/42/91/09/1370429109.db2.gz IDIRNSNNVDUHBB-LJQANCHMSA-N 0 3 348.443 3.073 20 10 EGCDHN COC(=O)c1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(O)cc2[O-])c1 ZINC001204282008 1370431046 /nfs/dbraw/zinc/43/10/46/1370431046.db2.gz MJKYKSAYWNSPFA-KRWDZBQOSA-N 0 3 327.380 3.222 20 10 EGCDHN COC(=O)c1cccc([C@@H]2CCC[N@H+]2Cc2ccc(O)cc2[O-])c1 ZINC001204282008 1370431047 /nfs/dbraw/zinc/43/10/47/1370431047.db2.gz MJKYKSAYWNSPFA-KRWDZBQOSA-N 0 3 327.380 3.222 20 10 EGCDHN Cc1nc([C@@H]2CCCN(Cc3ccc(N4CCCC4)cc3)C2)no1 ZINC001204326265 1370444803 /nfs/dbraw/zinc/44/48/03/1370444803.db2.gz WJJUZXWFMFNIGF-QGZVFWFLSA-N 0 3 326.444 3.358 20 10 EGCDHN O=C1CCCCN1C1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204328091 1370445640 /nfs/dbraw/zinc/44/56/40/1370445640.db2.gz BSNSDPRNTUVNQW-UHFFFAOYSA-N 0 3 341.499 3.264 20 10 EGCDHN C[C@]1(O)CC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC001233194049 1376584055 /nfs/dbraw/zinc/58/40/55/1376584055.db2.gz KEFQUNNZSZPDBS-INIZCTEOSA-N 0 3 336.229 3.265 20 10 EGCDHN C[C@]1(O)CC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC001233194049 1376584058 /nfs/dbraw/zinc/58/40/58/1376584058.db2.gz KEFQUNNZSZPDBS-INIZCTEOSA-N 0 3 336.229 3.265 20 10 EGCDHN CCOC(=O)[C@@H]1CN(Cc2cc(C(C)(C)C)ccc2O)CCS1 ZINC001233286588 1376604340 /nfs/dbraw/zinc/60/43/40/1376604340.db2.gz ABENCOKKWQXZKE-INIZCTEOSA-N 0 3 337.485 3.170 20 10 EGCDHN Oc1cc(OCC(F)(F)F)ccc1CN1CCN(C2CCC2)CC1 ZINC001237053961 1376970840 /nfs/dbraw/zinc/97/08/40/1376970840.db2.gz RTOJQRDBOKYYBG-UHFFFAOYSA-N 0 3 344.377 3.003 20 10 EGCDHN [O-]c1ccc(C(F)(F)F)cc1C[NH+]1CCC(n2cccn2)CC1 ZINC001237142319 1376976733 /nfs/dbraw/zinc/97/67/33/1376976733.db2.gz HDWRKFWUUAYBPD-UHFFFAOYSA-N 0 3 325.334 3.445 20 10 EGCDHN Oc1ccc(C(F)(F)F)cc1CN1CCC(n2cccn2)CC1 ZINC001237142319 1376976738 /nfs/dbraw/zinc/97/67/38/1376976738.db2.gz HDWRKFWUUAYBPD-UHFFFAOYSA-N 0 3 325.334 3.445 20 10 EGCDHN COC(=O)Cc1ccc(C[N@H+](C)CCc2cccc(C)c2)c([O-])c1 ZINC001249207847 1377072908 /nfs/dbraw/zinc/07/29/08/1377072908.db2.gz JXJGCUHGNVCREZ-UHFFFAOYSA-N 0 3 327.424 3.091 20 10 EGCDHN COC(=O)Cc1ccc(C[N@@H+](C)CCc2cccc(C)c2)c([O-])c1 ZINC001249207847 1377072911 /nfs/dbraw/zinc/07/29/11/1377072911.db2.gz JXJGCUHGNVCREZ-UHFFFAOYSA-N 0 3 327.424 3.091 20 10 EGCDHN CCN(Cc1ccccc1O)Cc1ccc(C(=O)OC)cc1OC ZINC001137454049 1377550612 /nfs/dbraw/zinc/55/06/12/1377550612.db2.gz QFQQRMVHHBUFOU-UHFFFAOYSA-N 0 3 329.396 3.210 20 10 EGCDHN Cc1ccc(CN2C[C@@H]3C[N@@H+](Cc4cccc(F)c4[O-])C[C@@H]3C2)cc1 ZINC001138124957 1377680964 /nfs/dbraw/zinc/68/09/64/1377680964.db2.gz FOJNUICENBJVBD-KDURUIRLSA-N 0 3 340.442 3.404 20 10 EGCDHN Cc1ccc(CN2C[C@@H]3C[N@H+](Cc4cccc(F)c4[O-])C[C@@H]3C2)cc1 ZINC001138124957 1377680965 /nfs/dbraw/zinc/68/09/65/1377680965.db2.gz FOJNUICENBJVBD-KDURUIRLSA-N 0 3 340.442 3.404 20 10 EGCDHN C[C@H]1CN(Cc2ccc3c(c2)CCCN3C)CC[C@@]1(O)C(F)(F)F ZINC001138354602 1377708319 /nfs/dbraw/zinc/70/83/19/1377708319.db2.gz PASYDHOVBLREKH-GUYCJALGSA-N 0 3 342.405 3.204 20 10 EGCDHN CCN(CCCC(=O)OC)Cc1ccc(N(CC)CC)cc1OC ZINC001138386770 1377714011 /nfs/dbraw/zinc/71/40/11/1377714011.db2.gz WIIFWJRXDXFUQJ-UHFFFAOYSA-N 0 3 336.476 3.317 20 10 EGCDHN C[C@@H]1CN(c2ccc(CN(C)Cc3ccccc3O)cn2)C[C@H](C)O1 ZINC001139384614 1377877151 /nfs/dbraw/zinc/87/71/51/1377877151.db2.gz DAUDGXCYYYWOSE-IYBDPMFKSA-N 0 3 341.455 3.033 20 10 EGCDHN CN1CCN(c2ccc(CN3Cc4ccc(F)cc4C3)cc2)CC1 ZINC001139408586 1377880526 /nfs/dbraw/zinc/88/05/26/1377880526.db2.gz ABOIEKQGDSLMCC-UHFFFAOYSA-N 0 3 325.431 3.093 20 10 EGCDHN Cc1cc(CN2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)ccc1N(C)C ZINC001139670629 1377931035 /nfs/dbraw/zinc/93/10/35/1377931035.db2.gz NMNNYQHHYQRVFE-JXFKEZNVSA-N 0 3 345.487 3.160 20 10 EGCDHN Cc1cc(CN2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)ccc1N(C)C ZINC001139674375 1377931496 /nfs/dbraw/zinc/93/14/96/1377931496.db2.gz XCSALKCNXJEPOY-AEFFLSMTSA-N 0 3 345.487 3.112 20 10 EGCDHN Oc1ccc(F)cc1CN1CCN(C2(c3ccccc3)CC2)CC1 ZINC001140059978 1377998575 /nfs/dbraw/zinc/99/85/75/1377998575.db2.gz DYTMTQBTFUAOJD-UHFFFAOYSA-N 0 3 326.415 3.338 20 10 EGCDHN CCOC(=O)[C@H]1C[N@H+](Cc2cc(F)ccc2[O-])C[C@H]2CCCC[C@@H]12 ZINC001140063740 1378000044 /nfs/dbraw/zinc/00/00/44/1378000044.db2.gz YDEFSDPHQYCEHL-XYPHTWIQSA-N 0 3 335.419 3.333 20 10 EGCDHN CCOC(=O)[C@H]1C[N@@H+](Cc2cc(F)ccc2[O-])C[C@H]2CCCC[C@@H]12 ZINC001140063740 1378000045 /nfs/dbraw/zinc/00/00/45/1378000045.db2.gz YDEFSDPHQYCEHL-XYPHTWIQSA-N 0 3 335.419 3.333 20 10 EGCDHN CCN1CCN(c2ccc(CN3Cc4nc(C)sc4C3)cc2)CC1 ZINC001140309861 1378044287 /nfs/dbraw/zinc/04/42/87/1378044287.db2.gz XOUVQMABKQKCSA-UHFFFAOYSA-N 0 3 342.512 3.109 20 10 EGCDHN C[N@H+](C1CCOCC1)C1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC001140341215 1378049615 /nfs/dbraw/zinc/04/96/15/1378049615.db2.gz DSNXSMPHMIDYDK-UHFFFAOYSA-N 0 3 338.879 3.121 20 10 EGCDHN C[N@@H+](C1CCOCC1)C1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC001140341215 1378049618 /nfs/dbraw/zinc/04/96/18/1378049618.db2.gz DSNXSMPHMIDYDK-UHFFFAOYSA-N 0 3 338.879 3.121 20 10 EGCDHN COC1CC[NH+](C2CCN(Cc3c([O-])cccc3Cl)CC2)CC1 ZINC001140342461 1378049970 /nfs/dbraw/zinc/04/99/70/1378049970.db2.gz KAZQKDTUNAZGLL-UHFFFAOYSA-N 0 3 338.879 3.121 20 10 EGCDHN COc1cc([O-])c(C[NH+]2CCC3(CC(F)(F)C3)CC2)c(OC)c1 ZINC001141026624 1378213321 /nfs/dbraw/zinc/21/33/21/1378213321.db2.gz XOHMEKPIQHWGFC-UHFFFAOYSA-N 0 3 327.371 3.421 20 10 EGCDHN c1c(CN2CC(N3CCCCC3)C2)cc2c3c1CCCN3CCC2 ZINC001141077864 1378232479 /nfs/dbraw/zinc/23/24/79/1378232479.db2.gz CWKJMYPFZLVYQW-UHFFFAOYSA-N 0 3 325.500 3.056 20 10 EGCDHN O=c1[nH]ccc2c1CCN(Cc1cc3c4c(c1)CCCN4CCC3)C2 ZINC001141078015 1378234344 /nfs/dbraw/zinc/23/43/44/1378234344.db2.gz IWCIYNSLYFQROQ-UHFFFAOYSA-N 0 3 335.451 3.044 20 10 EGCDHN Cc1ccccc1O[C@@H]1CCN(Cc2ccc3c(c2)OCCN3C)C1 ZINC001141142841 1378249016 /nfs/dbraw/zinc/24/90/16/1378249016.db2.gz CNEOQLKWQPSABR-GOSISDBHSA-N 0 3 338.451 3.477 20 10 EGCDHN COC(=O)[C@H]1CCN(Cc2cc(O)ccc2O)[C@@H](c2ccccc2)C1 ZINC001141162317 1378255269 /nfs/dbraw/zinc/25/52/69/1378255269.db2.gz PBGPYWLGFPEQQR-MAUKXSAKSA-N 0 3 341.407 3.224 20 10 EGCDHN CN(CCC[NH+]1CCCC1)Cc1cc(Br)c(F)cc1[O-] ZINC001144299611 1378713104 /nfs/dbraw/zinc/71/31/04/1378713104.db2.gz CFJBOLINPZKEJS-UHFFFAOYSA-N 0 3 345.256 3.212 20 10 EGCDHN COc1ccc(N2CCN(CCCNc3cccc(O)c3)CC2)cc1 ZINC001164336082 1383178395 /nfs/dbraw/zinc/17/83/95/1383178395.db2.gz PYGVXVDVCOGOLO-UHFFFAOYSA-N 0 3 341.455 3.025 20 10 EGCDHN C[C@H]1OCC[C@]12CN(Cc1ccc(N3CCCC3)cc1)C[C@@H](C)O2 ZINC001322333445 1387161154 /nfs/dbraw/zinc/16/11/54/1387161154.db2.gz HYTOPSKZRYHUBJ-HLIPFELVSA-N 0 3 330.472 3.055 20 10 EGCDHN Cc1cc(CNCc2ccc(N3CCC(CO)CC3)cc2)cnc1F ZINC001333706867 1390379320 /nfs/dbraw/zinc/37/93/20/1390379320.db2.gz LCNUGKCJBGQUQJ-UHFFFAOYSA-N 0 3 343.446 3.028 20 10 EGCDHN C[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001594227277 998871875 /nfs/dbraw/zinc/87/18/75/998871875.db2.gz ZUWONUCVWMWUIZ-OWCLPIDISA-N 0 3 348.487 3.499 20 10 EGCDHN C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001594227277 998871877 /nfs/dbraw/zinc/87/18/77/998871877.db2.gz ZUWONUCVWMWUIZ-OWCLPIDISA-N 0 3 348.487 3.499 20 10 EGCDHN [O-]c1ccc(F)cc1C[NH2+][C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000779076627 1126109376 /nfs/dbraw/zinc/10/93/76/1126109376.db2.gz DBEGUQAVGRNBQA-GDBMZVCRSA-N 0 3 343.320 3.155 20 10 EGCDHN C[NH+](C)[C@@H]1CCCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000277595133 455609201 /nfs/dbraw/zinc/60/92/01/455609201.db2.gz VDWBKTHQESJISM-CQSZACIVSA-N 0 3 327.266 3.071 20 10 EGCDHN Cc1cccc(CN2CCC(O)(c3c(F)cccc3F)CC2)c1O ZINC000190021996 455273601 /nfs/dbraw/zinc/27/36/01/455273601.db2.gz YLRKNUDLKYHRCR-UHFFFAOYSA-N 0 3 333.378 3.462 20 10 EGCDHN COc1ccc([C@H](C[NH2+][C@@H](C)c2ccccc2[O-])N(C)C)cc1OC ZINC000183591576 455309061 /nfs/dbraw/zinc/30/90/61/455309061.db2.gz XGZMDCFAJOXBRR-YOEHRIQHSA-N 0 3 344.455 3.363 20 10 EGCDHN CCCOc1ccc(C[NH+]2CCC(Nc3cccnn3)CC2)c([O-])c1 ZINC000120317559 454285823 /nfs/dbraw/zinc/28/58/23/454285823.db2.gz LFZIOYZMCDFLFP-UHFFFAOYSA-N 0 3 342.443 3.048 20 10 EGCDHN COc1ccc(N2CCC(NCc3cccc4c3OCO4)CC2)cc1 ZINC000102432699 454505333 /nfs/dbraw/zinc/50/53/33/454505333.db2.gz PGWNBVCIDAKHOF-UHFFFAOYSA-N 0 3 340.423 3.183 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC(Cn3ccnn3)CC2)cc1 ZINC000092098898 454521290 /nfs/dbraw/zinc/52/12/90/454521290.db2.gz YDYAFQTWLYRWBN-UHFFFAOYSA-N 0 3 327.476 3.037 20 10 EGCDHN CN(C)c1ccc(CN2CCC(OC[C@H]3CCCO3)CC2)cc1F ZINC000122970914 454587408 /nfs/dbraw/zinc/58/74/08/454587408.db2.gz KNDUCDXFTBQCLV-QGZVFWFLSA-N 0 3 336.451 3.052 20 10 EGCDHN CCCOc1ccc(C[N@H+](C)[C@H](CO)c2ccc(OC)cc2)c([O-])c1 ZINC000093415683 454713713 /nfs/dbraw/zinc/71/37/13/454713713.db2.gz HWRITQKBKPXMOM-LJQANCHMSA-N 0 3 345.439 3.355 20 10 EGCDHN CCCOc1ccc(C[N@@H+](C)[C@H](CO)c2ccc(OC)cc2)c([O-])c1 ZINC000093415683 454713716 /nfs/dbraw/zinc/71/37/16/454713716.db2.gz HWRITQKBKPXMOM-LJQANCHMSA-N 0 3 345.439 3.355 20 10 EGCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]Cc2cncs2)C1 ZINC000136137942 454723225 /nfs/dbraw/zinc/72/32/25/454723225.db2.gz UDEFISPUYWCDPN-CQSZACIVSA-N 0 3 337.876 3.256 20 10 EGCDHN CCC(=O)N1CC[C@H](N[C@H](C)c2ccc(N3CCCCC3)c(F)c2)C1 ZINC000126395555 454890949 /nfs/dbraw/zinc/89/09/49/454890949.db2.gz OTMOXGRJLNWRAM-WBVHZDCISA-N 0 3 347.478 3.478 20 10 EGCDHN Cc1noc(C)c1CCN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000156068958 455078268 /nfs/dbraw/zinc/07/82/68/455078268.db2.gz RKYUZIGYZXSJCL-ZDUSSCGKSA-N 0 3 347.434 3.160 20 10 EGCDHN CCNC(=O)c1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000156493453 455125537 /nfs/dbraw/zinc/12/55/37/455125537.db2.gz SJVDFYOGPFBHLL-HNNXBMFYSA-N 0 3 325.456 3.353 20 10 EGCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@](O)(c1ccccc1)C(F)(F)F ZINC000180616814 455209997 /nfs/dbraw/zinc/20/99/97/455209997.db2.gz FLSDHDMAGKKTNX-HNNXBMFYSA-N 0 3 329.293 3.071 20 10 EGCDHN C[C@H]([NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccccc1[O-] ZINC000183446022 455294077 /nfs/dbraw/zinc/29/40/77/455294077.db2.gz WXOCVBGHQOLNHX-LIRRHRJNSA-N 0 3 340.423 3.361 20 10 EGCDHN Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000158568785 455314297 /nfs/dbraw/zinc/31/42/97/455314297.db2.gz FTCJUZVFRBFKOF-LSDHHAIUSA-N 0 3 333.453 3.214 20 10 EGCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000266886866 455468962 /nfs/dbraw/zinc/46/89/62/455468962.db2.gz XRIIGAITMIKDGL-INIZCTEOSA-N 0 3 346.519 3.155 20 10 EGCDHN C[C@@H]([NH2+]C[C@@H](c1ccccc1)N1CCOCC1)c1cc(F)ccc1[O-] ZINC000184919434 455472517 /nfs/dbraw/zinc/47/25/17/455472517.db2.gz WTZLODSIRSJDJU-BEFAXECRSA-N 0 3 344.430 3.255 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]CCCS(=O)(=O)Cc2ccccc2)c([O-])c1 ZINC000185086931 455499301 /nfs/dbraw/zinc/49/93/01/455499301.db2.gz DTUBFFDSDAETSM-MRXNPFEDSA-N 0 3 347.480 3.356 20 10 EGCDHN CCc1cc(N2CCC([NH2+][C@H](C)c3cc(C)ccc3[O-])CC2)ncn1 ZINC000185642500 455588690 /nfs/dbraw/zinc/58/86/90/455588690.db2.gz ZAVXPCYEMDXOTL-OAHLLOKOSA-N 0 3 340.471 3.373 20 10 EGCDHN COc1cc(OC)cc([C@H](O)C[NH2+][C@H](C)c2c(C)cc(C)cc2[O-])c1 ZINC000284162612 455644663 /nfs/dbraw/zinc/64/46/63/455644663.db2.gz PXBJEAAVLQVGFM-AUUYWEPGSA-N 0 3 345.439 3.410 20 10 EGCDHN COc1ccc([C@@H](CN(C)C)N[C@H](C)c2cc(OC)ccc2O)cc1 ZINC000284260698 455659256 /nfs/dbraw/zinc/65/92/56/455659256.db2.gz GILBPSLISCLDMO-AUUYWEPGSA-N 0 3 344.455 3.363 20 10 EGCDHN CC(=O)Nc1cccc(OCC[NH2+][C@H](C)c2ccc(C)cc2[O-])c1 ZINC000185966750 455664665 /nfs/dbraw/zinc/66/46/65/455664665.db2.gz BVIBZOYTOFGWFP-CQSZACIVSA-N 0 3 328.412 3.389 20 10 EGCDHN CC[C@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1ccccc1[O-] ZINC000186154899 455704676 /nfs/dbraw/zinc/70/46/76/455704676.db2.gz UMZRHNBQRXUIEO-KRWDZBQOSA-N 0 3 333.453 3.178 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+]C[C@H]2CCO[C@H](C)C2)c1[O-] ZINC000271811243 455770019 /nfs/dbraw/zinc/77/00/19/455770019.db2.gz KVMMYGBGSRRLFC-NEPJUHHUSA-N 0 3 328.250 3.368 20 10 EGCDHN CC(C)C(=O)NCC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000293216036 455778103 /nfs/dbraw/zinc/77/81/03/455778103.db2.gz AEGMIRWAKCGRIE-LJQANCHMSA-N 0 3 340.467 3.428 20 10 EGCDHN Cc1cccc(C[NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)c(F)c2)c1[O-] ZINC000271877089 455796281 /nfs/dbraw/zinc/79/62/81/455796281.db2.gz ZRJJEKDHZVZRFB-AEFFLSMTSA-N 0 3 346.377 3.040 20 10 EGCDHN CN(C)c1ccc(CN2CCC[C@H](CC(C)(C)C(N)=O)C2)cc1F ZINC000294895548 455831121 /nfs/dbraw/zinc/83/11/21/455831121.db2.gz WVRIZDOWPMRGPN-OAHLLOKOSA-N 0 3 335.467 3.005 20 10 EGCDHN Cc1cc(C)c([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)c([O-])c1 ZINC000285374730 455832217 /nfs/dbraw/zinc/83/22/17/455832217.db2.gz WCTGFGXWRXNQHZ-UHOSZYNNSA-N 0 3 346.515 3.428 20 10 EGCDHN CN(C)c1ccc(CN(C(=O)C2CCN(C3CC3)CC2)C2CC2)cc1 ZINC000278480363 455837301 /nfs/dbraw/zinc/83/73/01/455837301.db2.gz JYGZMJDOYGRZGV-UHFFFAOYSA-N 0 3 341.499 3.118 20 10 EGCDHN CC[C@H]([NH2+][C@@H](CO)C[C@H](O)c1ccccc1)c1ccc(C)cc1[O-] ZINC000279925928 455878234 /nfs/dbraw/zinc/87/82/34/455878234.db2.gz AJXSRQNTTBSQQX-NEWSRXKRSA-N 0 3 329.440 3.226 20 10 EGCDHN C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc(O)c1 ZINC000194863012 455892919 /nfs/dbraw/zinc/89/29/19/455892919.db2.gz QUQSPWSUGCGTIM-INIZCTEOSA-N 0 3 340.467 3.452 20 10 EGCDHN C[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1ccc(F)c(F)c1[O-] ZINC000187674051 455937406 /nfs/dbraw/zinc/93/74/06/455937406.db2.gz FEUUYBYAYMHIHU-IHRRRGAJSA-N 0 3 342.430 3.210 20 10 EGCDHN C[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(Cl)nc1 ZINC000270493460 455968466 /nfs/dbraw/zinc/96/84/66/455968466.db2.gz MJSSRJUWGQNPOA-AWEZNQCLSA-N 0 3 331.847 3.422 20 10 EGCDHN CC[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(F)cc1[O-] ZINC000286328794 456025514 /nfs/dbraw/zinc/02/55/14/456025514.db2.gz XWKRFBBYGWGSIS-KSSFIOAISA-N 0 3 336.451 3.073 20 10 EGCDHN COc1ccc(O)c([C@H](C)N[C@H](CN(C)C)c2ccc(F)cc2)c1 ZINC000286854936 456056371 /nfs/dbraw/zinc/05/63/71/456056371.db2.gz ASFTVFYNIREUMM-SCLBCKFNSA-N 0 3 332.419 3.493 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)c([O-])c1 ZINC000287593056 456073273 /nfs/dbraw/zinc/07/32/73/456073273.db2.gz RSMMJKLINOXOQA-CVEARBPZSA-N 0 3 331.460 3.031 20 10 EGCDHN O=C(NC1CC1)[C@H]1CCC[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000271063847 456116607 /nfs/dbraw/zinc/11/66/07/456116607.db2.gz HRMMFUMUIWTEGW-LJQANCHMSA-N 0 3 336.435 3.302 20 10 EGCDHN O=C(NC1CC1)[C@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000271063847 456116611 /nfs/dbraw/zinc/11/66/11/456116611.db2.gz HRMMFUMUIWTEGW-LJQANCHMSA-N 0 3 336.435 3.302 20 10 EGCDHN COc1cccc(CNCc2ccc(OC)c(OC)c2Cl)c1O ZINC000289420792 456124892 /nfs/dbraw/zinc/12/48/92/456124892.db2.gz JCHJGSXIZPYEHL-UHFFFAOYSA-N 0 3 337.803 3.361 20 10 EGCDHN COc1cc(O)c(CN(C)C[C@@H]2OCCc3ccccc32)cc1OC ZINC000271106401 456127357 /nfs/dbraw/zinc/12/73/57/456127357.db2.gz RXCPBPVKYSRRQY-FQEVSTJZSA-N 0 3 343.423 3.155 20 10 EGCDHN COC[C@]1(C[NH2+][C@H](C)c2ccccc2[O-])OCCc2ccccc21 ZINC000289980482 456204528 /nfs/dbraw/zinc/20/45/28/456204528.db2.gz XWFASEVMLPUDCV-QRWLVFNGSA-N 0 3 327.424 3.157 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@H](CO)C[C@@H]2C)c1[O-] ZINC000290129758 456248194 /nfs/dbraw/zinc/24/81/94/456248194.db2.gz JMLPHMZNGHCNMV-RYUDHWBXSA-N 0 3 328.250 3.056 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@H](CO)C[C@@H]2C)c1[O-] ZINC000290129758 456248203 /nfs/dbraw/zinc/24/82/03/456248203.db2.gz JMLPHMZNGHCNMV-RYUDHWBXSA-N 0 3 328.250 3.056 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)Cn2cccn2)c1[O-] ZINC000275332064 456272801 /nfs/dbraw/zinc/27/28/01/456272801.db2.gz NEMAHWNWCZPESL-NWDGAFQWSA-N 0 3 338.249 3.399 20 10 EGCDHN C[C@@H](NCC1([S@](C)=O)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000282150489 456426730 /nfs/dbraw/zinc/42/67/30/456426730.db2.gz CPVUNTSVOBQRFP-FATZIPQQSA-N 0 3 338.492 3.378 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC2([S@@](C)=O)CC2)c1[O-] ZINC000282203670 456441856 /nfs/dbraw/zinc/44/18/56/456441856.db2.gz GYXJOEBELCOLHS-GIGQVBGESA-N 0 3 346.290 3.025 20 10 EGCDHN COc1cccc(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)c1[O-] ZINC000291160938 456549877 /nfs/dbraw/zinc/54/98/77/456549877.db2.gz CKFAYRHGUICWTR-NRFANRHFSA-N 0 3 341.451 3.218 20 10 EGCDHN COc1cccc(C[N@H+]2CCC[C@](CO)(Cc3ccccc3)C2)c1[O-] ZINC000291160938 456549879 /nfs/dbraw/zinc/54/98/79/456549879.db2.gz CKFAYRHGUICWTR-NRFANRHFSA-N 0 3 341.451 3.218 20 10 EGCDHN COc1cccc(CN2CCCN(C(=O)CC3CCCC3)CC2)c1O ZINC000378335117 457389581 /nfs/dbraw/zinc/38/95/81/457389581.db2.gz QRBWANUPBKPFFM-UHFFFAOYSA-N 0 3 346.471 3.015 20 10 EGCDHN CCN(C)c1ccc([C@H](C)N[C@@H]2CCCc3c2cnn3CCO)cc1 ZINC000363832465 457454287 /nfs/dbraw/zinc/45/42/87/457454287.db2.gz SDNNZWVESWQRHS-HNAYVOBHSA-N 0 3 342.487 3.060 20 10 EGCDHN Oc1ccc(Cl)cc1CN1CCC[C@H](NCc2cscn2)C1 ZINC000361536365 457777816 /nfs/dbraw/zinc/77/78/16/457777816.db2.gz STQYALLDBTYIID-AWEZNQCLSA-N 0 3 337.876 3.256 20 10 EGCDHN [O-]c1cc2c(cc1C[NH2+]C[C@H]1CCCN(c3ccccc3)C1)OCO2 ZINC000366050044 457790030 /nfs/dbraw/zinc/79/00/30/457790030.db2.gz XBZBIRFCNJTURU-OAHLLOKOSA-N 0 3 340.423 3.127 20 10 EGCDHN CC(C)(C)OC(=O)N1CCC2(C[C@@H]2[NH2+]Cc2ccccc2[O-])CC1 ZINC000366475478 457820363 /nfs/dbraw/zinc/82/03/63/457820363.db2.gz QBQZBIILGQUPNW-INIZCTEOSA-N 0 3 332.444 3.271 20 10 EGCDHN C[C@H](C[S@@](C)=O)NCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000375742464 458045924 /nfs/dbraw/zinc/04/59/24/458045924.db2.gz LPGWFUYNOGKJLI-VOIUYBSRSA-N 0 3 342.508 3.106 20 10 EGCDHN Cc1c2ccccc2n(C)c1CNC(=O)Nc1ccc2c(c1)CNCC2 ZINC000568728904 459334895 /nfs/dbraw/zinc/33/48/95/459334895.db2.gz HKTSCWJFRJGDMI-UHFFFAOYSA-N 0 3 348.450 3.454 20 10 EGCDHN CCOc1cccc(CN[C@@H](c2ccc(OC)nc2)C2CC2)c1O ZINC000527842079 459755179 /nfs/dbraw/zinc/75/51/79/459755179.db2.gz UZWGAYIWGOHPNP-GOSISDBHSA-N 0 3 328.412 3.435 20 10 EGCDHN CCOc1cccc(C[NH2+][C@@H](c2ccc(OC)nc2)C2CC2)c1[O-] ZINC000527842079 459755184 /nfs/dbraw/zinc/75/51/84/459755184.db2.gz UZWGAYIWGOHPNP-GOSISDBHSA-N 0 3 328.412 3.435 20 10 EGCDHN CCN(CC)c1ccc(CN(C)C(=O)NCCN(CC)C2CC2)cc1 ZINC000726281558 574548054 /nfs/dbraw/zinc/54/80/54/574548054.db2.gz YVSYDSGGTZDYIV-UHFFFAOYSA-N 0 3 346.519 3.159 20 10 EGCDHN CCN(CC)c1ccc(CN(C)C(=O)NC[C@H](C)N(C)C2CC2)cc1 ZINC000729617212 574874016 /nfs/dbraw/zinc/87/40/16/574874016.db2.gz HRXMCACQHROJEZ-INIZCTEOSA-N 0 3 346.519 3.157 20 10 EGCDHN CCN1CCCC[C@H]1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000731016488 575044937 /nfs/dbraw/zinc/04/49/37/575044937.db2.gz UDLUUCXHRAOZIE-FQEVSTJZSA-N 0 3 343.515 3.414 20 10 EGCDHN CCCCCCN(C)CC(=O)NCc1ccc2c(c1)CCCN2C ZINC000732278893 575253990 /nfs/dbraw/zinc/25/39/90/575253990.db2.gz DYTWURLUQPZRQW-UHFFFAOYSA-N 0 3 331.504 3.197 20 10 EGCDHN COc1ccc(F)cc1CN(C)c1ccc(OCCN(C)C)cc1 ZINC000732410667 575268143 /nfs/dbraw/zinc/26/81/43/575268143.db2.gz GCIMCCACFPOCSG-UHFFFAOYSA-N 0 3 332.419 3.411 20 10 EGCDHN CN(C)c1ccc(CNCCN2CCCc3ccccc32)cc1F ZINC000733325895 575327960 /nfs/dbraw/zinc/32/79/60/575327960.db2.gz WZGXQFMIIPLUBT-UHFFFAOYSA-N 0 3 327.447 3.434 20 10 EGCDHN CC[C@@H](CN1CCCC1)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000735810646 575718499 /nfs/dbraw/zinc/71/84/99/575718499.db2.gz NHYSAQYXRSLMEM-KRWDZBQOSA-N 0 3 340.471 3.093 20 10 EGCDHN CCN(CC)c1ccc(CN[C@H](C(=O)N2CCCC2)C(C)C)cc1F ZINC000740005840 576530322 /nfs/dbraw/zinc/53/03/22/576530322.db2.gz HOTJPQZPIBZACJ-IBGZPJMESA-N 0 3 349.494 3.409 20 10 EGCDHN O=[N+]([O-])c1cc(CNC[C@@H]2CCCC[C@H]2O)ccc1N1CCCCC1 ZINC000740900494 576635436 /nfs/dbraw/zinc/63/54/36/576635436.db2.gz RCDJNMMDZHFPEV-QFBILLFUSA-N 0 3 347.459 3.226 20 10 EGCDHN CC(C)(C)OC(=O)CCCCC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000742388441 576777977 /nfs/dbraw/zinc/77/79/77/576777977.db2.gz OYDAQRLIQVOJBU-UHFFFAOYSA-N 0 3 337.416 3.113 20 10 EGCDHN CCN(CC)CC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000742822688 576795940 /nfs/dbraw/zinc/79/59/40/576795940.db2.gz OLRYBBAVZNBYGQ-UHFFFAOYSA-N 0 3 331.504 3.414 20 10 EGCDHN CCCN1CCC([NH2+]Cc2ccc(Br)cc2[O-])CC1 ZINC000691488398 1298134120 /nfs/dbraw/zinc/13/41/20/1298134120.db2.gz MFUWKUQTQOKILN-UHFFFAOYSA-N 0 3 327.266 3.119 20 10 EGCDHN CC[C@H]([NH2+]C[C@H](O)COc1cccc(C)c1)c1ccc(C)cc1[O-] ZINC000794803811 1309598043 /nfs/dbraw/zinc/59/80/43/1309598043.db2.gz SDVOSNYMBSZOPD-LPHOPBHVSA-N 0 3 329.440 3.490 20 10 EGCDHN CC[C@H]([NH2+]CCC(=O)NCc1ccccc1)c1ccc(C)cc1[O-] ZINC000794802140 1309599190 /nfs/dbraw/zinc/59/91/90/1309599190.db2.gz CNGXTQBFYXPBFY-SFHVURJKSA-N 0 3 326.440 3.448 20 10 EGCDHN C[C@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)N1CCc2sccc2C1 ZINC000834537752 1293113538 /nfs/dbraw/zinc/11/35/38/1293113538.db2.gz JEDPSONVXJGSIV-CZUORRHYSA-N 0 3 328.481 3.477 20 10 EGCDHN O=C1[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCCN1Cc1ccccc1 ZINC000834692435 1293132643 /nfs/dbraw/zinc/13/26/43/1293132643.db2.gz BIBGNEWJZFZMBY-MSOLQXFVSA-N 0 3 336.435 3.160 20 10 EGCDHN COc1cc(C)cc(CN2CCN(c3cccc(C)c3)CC2)c1O ZINC000120807158 1293339808 /nfs/dbraw/zinc/33/98/08/1293339808.db2.gz CDQVTQOVVIXEHQ-UHFFFAOYSA-N 0 3 326.440 3.340 20 10 EGCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000121142740 1293357964 /nfs/dbraw/zinc/35/79/64/1293357964.db2.gz NWUZWFYORAHWMI-INIZCTEOSA-N 0 3 339.357 3.446 20 10 EGCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000121142740 1293357973 /nfs/dbraw/zinc/35/79/73/1293357973.db2.gz NWUZWFYORAHWMI-INIZCTEOSA-N 0 3 339.357 3.446 20 10 EGCDHN CN(C)[C@H]1Cc2ccccc2N(C(=O)/C=C/c2ccc(Cl)nc2)C1 ZINC000132813967 1293729020 /nfs/dbraw/zinc/72/90/20/1293729020.db2.gz BJISIHASYODDMO-DZZUKKPASA-N 0 3 341.842 3.268 20 10 EGCDHN [O-]c1ccccc1C[N@@H+](Cc1cccc2c[nH]nc21)C[C@@H]1CCCO1 ZINC000160181095 1294260684 /nfs/dbraw/zinc/26/06/84/1294260684.db2.gz OQAPFORZSGCCSW-SFHVURJKSA-N 0 3 337.423 3.450 20 10 EGCDHN [O-]c1ccccc1C[N@H+](Cc1cccc2c[nH]nc21)C[C@@H]1CCCO1 ZINC000160181095 1294260689 /nfs/dbraw/zinc/26/06/89/1294260689.db2.gz OQAPFORZSGCCSW-SFHVURJKSA-N 0 3 337.423 3.450 20 10 EGCDHN Cn1ncc2c1CCC[C@H]2NCc1ccc(N2CCSCC2)cc1 ZINC000163636280 1294336419 /nfs/dbraw/zinc/33/64/19/1294336419.db2.gz LHTRXRPFTPDKEL-GOSISDBHSA-N 0 3 342.512 3.141 20 10 EGCDHN COc1cc(Br)cc(C[NH2+][C@@H](C)CC(C)(C)OC)c1[O-] ZINC000174555058 1294508360 /nfs/dbraw/zinc/50/83/60/1294508360.db2.gz GRBZRELMZMJETA-JTQLQIEISA-N 0 3 346.265 3.457 20 10 EGCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N2c3ccccc3C[C@H]2C)c1 ZINC000182406196 1295043651 /nfs/dbraw/zinc/04/36/51/1295043651.db2.gz SHPNRYXQUOGQDZ-ZIAGYGMSSA-N 0 3 340.423 3.029 20 10 EGCDHN COc1ccc(O)c([C@@H](C)NCC(=O)NCCC2CCCCC2)c1 ZINC000182450762 1295048594 /nfs/dbraw/zinc/04/85/94/1295048594.db2.gz IVXCWKHYAGTDHD-CQSZACIVSA-N 0 3 334.460 3.138 20 10 EGCDHN COC(=O)c1cc(CN[C@H](C)c2cc(OC)ccc2O)c(C)s1 ZINC000182467151 1295049822 /nfs/dbraw/zinc/04/98/22/1295049822.db2.gz WCPFTTHCGLPRJH-SNVBAGLBSA-N 0 3 335.425 3.408 20 10 EGCDHN CC(C)[C@@](C)(O)C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183156933 1295102911 /nfs/dbraw/zinc/10/29/11/1295102911.db2.gz KLZGIHQDHPJLOB-FQEVSTJZSA-N 0 3 329.440 3.468 20 10 EGCDHN C[C@@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1cc(F)ccc1[O-] ZINC000186526610 1295333168 /nfs/dbraw/zinc/33/31/68/1295333168.db2.gz JVGRCXCQCJSJED-GFCCVEGCSA-N 0 3 330.359 3.339 20 10 EGCDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2[O-])[C@H]1Oc1ccccc1 ZINC000249462056 1296444495 /nfs/dbraw/zinc/44/44/95/1296444495.db2.gz RDKQORNINOJWMK-BHIYHBOVSA-N 0 3 331.387 3.246 20 10 EGCDHN CCOC(=O)C1CCC([NH2+]Cc2cc(Cl)cc(OC)c2[O-])CC1 ZINC000322667407 1297191586 /nfs/dbraw/zinc/19/15/86/1297191586.db2.gz JWVSJQYIAIFRSH-UHFFFAOYSA-N 0 3 341.835 3.266 20 10 EGCDHN C[C@@H]1CCN(C(=O)Nc2ccc(N)cc2)CCN1Cc1ccccc1 ZINC000382761668 1297564478 /nfs/dbraw/zinc/56/44/78/1297564478.db2.gz ZLXCDKDMEPSRST-MRXNPFEDSA-N 0 3 338.455 3.397 20 10 EGCDHN C[C@@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1O ZINC000875005895 1298198379 /nfs/dbraw/zinc/19/83/79/1298198379.db2.gz YGIAYJSKGKSGEZ-WBVHZDCISA-N 0 3 339.439 3.027 20 10 EGCDHN CC[C@@H](C)N[C@H](CNC(=O)NCc1cc(C)ccc1O)c1ccco1 ZINC000875573111 1298394161 /nfs/dbraw/zinc/39/41/61/1298394161.db2.gz ANMCFTXYWSHQBP-GDBMZVCRSA-N 0 3 345.443 3.222 20 10 EGCDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000746238074 1298555460 /nfs/dbraw/zinc/55/54/60/1298555460.db2.gz SPHZEVVILAAGOH-HDICACEKSA-N 0 3 343.515 3.412 20 10 EGCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000876662874 1298906586 /nfs/dbraw/zinc/90/65/86/1298906586.db2.gz PKPDHJBFQPBICX-QGZVFWFLSA-N 0 3 338.451 3.343 20 10 EGCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000876662874 1298906599 /nfs/dbraw/zinc/90/65/99/1298906599.db2.gz PKPDHJBFQPBICX-QGZVFWFLSA-N 0 3 338.451 3.343 20 10 EGCDHN Cc1ccc(CN2CCCN(C(=O)Oc3ccccc3)CC2)c(O)c1 ZINC000876678111 1298914855 /nfs/dbraw/zinc/91/48/55/1298914855.db2.gz BNQBMGINXYUJPY-UHFFFAOYSA-N 0 3 340.423 3.407 20 10 EGCDHN Cc1ccc(C[NH2+]C[C@H](CO)Cc2cc(F)c(F)c(F)c2)c([O-])c1 ZINC000877479075 1299329181 /nfs/dbraw/zinc/32/91/81/1299329181.db2.gz RWZVHDWPNRQUCG-CYBMUJFWSA-N 0 3 339.357 3.059 20 10 EGCDHN CCC(CC)[C@@H](C[NH2+][C@@H](C)c1ccc(C)cc1[O-])N1CCOCC1 ZINC000756398058 1300484826 /nfs/dbraw/zinc/48/48/26/1300484826.db2.gz BGJVLHKESWICGD-QFBILLFUSA-N 0 3 334.504 3.488 20 10 EGCDHN CCC(CC)[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])N1CCOCC1 ZINC000756402751 1300484861 /nfs/dbraw/zinc/48/48/61/1300484861.db2.gz YJACWNVHAKPLCJ-KBXCAEBGSA-N 0 3 338.467 3.319 20 10 EGCDHN Cc1cccc(C(=O)NCC[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)c1 ZINC000756461393 1300497433 /nfs/dbraw/zinc/49/74/33/1300497433.db2.gz SGSNOYQXKCIMBP-XJKSGUPXSA-N 0 3 342.414 3.408 20 10 EGCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](CCN(C)C)C(C)(C)C)c1 ZINC000756587766 1300527066 /nfs/dbraw/zinc/52/70/66/1300527066.db2.gz CJNNCVKMAQFMHO-DYVFJYSZSA-N 0 3 336.476 3.196 20 10 EGCDHN C[C@@H](N[C@@H](CO)CC(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC000760041274 1301211971 /nfs/dbraw/zinc/21/19/71/1301211971.db2.gz XRGAMWSGMLXWCI-TZMCWYRMSA-N 0 3 330.394 3.483 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]CCN2CCc3ccccc32)c1[O-] ZINC000761198441 1301418723 /nfs/dbraw/zinc/41/87/23/1301418723.db2.gz ORFMJIIBIUBYOJ-UHFFFAOYSA-N 0 3 332.831 3.207 20 10 EGCDHN C[C@H]([NH2+][C@H](CCO)C1CCOCC1)c1cc2c(cc1[O-])CCCC2 ZINC000763559566 1301923369 /nfs/dbraw/zinc/92/33/69/1301923369.db2.gz UGAZMEUJPSLABE-IFXJQAMLSA-N 0 3 333.472 3.099 20 10 EGCDHN C[C@H](NC(=O)NC[C@H]1CCCCN1C1CC1)c1ccc(N(C)C)cc1 ZINC000764806473 1302139351 /nfs/dbraw/zinc/13/93/51/1302139351.db2.gz QHVWTLBKKZJSQM-HNAYVOBHSA-N 0 3 344.503 3.130 20 10 EGCDHN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000882971985 1302187480 /nfs/dbraw/zinc/18/74/80/1302187480.db2.gz ZDWGTLJBMCCHED-MRXNPFEDSA-N 0 3 346.421 3.325 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCNC3=O)cc2)c([O-])c1 ZINC000883286620 1302366316 /nfs/dbraw/zinc/36/63/16/1302366316.db2.gz XJHIKNCVEFZTHB-AWEZNQCLSA-N 0 3 325.412 3.081 20 10 EGCDHN COc1cc(CN2CCN(Cc3ccccc3)CC2)c(O)cc1C ZINC000768437813 1302902080 /nfs/dbraw/zinc/90/20/80/1302902080.db2.gz JCMNDBHYQUHDSX-UHFFFAOYSA-N 0 3 326.440 3.027 20 10 EGCDHN [O-]c1cc2c(cc1C[NH+]1CCC(c3ccccc3)CC1)[C@H](O)CO2 ZINC000768442652 1302903973 /nfs/dbraw/zinc/90/39/73/1302903973.db2.gz YERCSSKHOUVQIL-LJQANCHMSA-N 0 3 325.408 3.198 20 10 EGCDHN C[N@H+](CCCCc1ccccc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768440197 1302904490 /nfs/dbraw/zinc/90/44/90/1302904490.db2.gz UGPPYXAQJRIWMB-IBGZPJMESA-N 0 3 327.424 3.273 20 10 EGCDHN C[N@@H+](CCCCc1ccccc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768440197 1302904502 /nfs/dbraw/zinc/90/45/02/1302904502.db2.gz UGPPYXAQJRIWMB-IBGZPJMESA-N 0 3 327.424 3.273 20 10 EGCDHN Oc1cc2c(cc1CN1CCSC[C@H]1c1ccccc1)[C@H](O)CO2 ZINC000768444365 1302908181 /nfs/dbraw/zinc/90/81/81/1302908181.db2.gz AGMKFWXBUSDPMO-FUHWJXTLSA-N 0 3 343.448 3.108 20 10 EGCDHN Cc1ccccc1[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768444623 1302908373 /nfs/dbraw/zinc/90/83/73/1302908373.db2.gz MRCPXIZNDQGPHX-IFXJQAMLSA-N 0 3 325.408 3.116 20 10 EGCDHN Cc1ccccc1[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768444623 1302908374 /nfs/dbraw/zinc/90/83/74/1302908374.db2.gz MRCPXIZNDQGPHX-IFXJQAMLSA-N 0 3 325.408 3.116 20 10 EGCDHN CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2cc3c(cc2O)CCCC3)C1 ZINC000768452136 1302908740 /nfs/dbraw/zinc/90/87/40/1302908740.db2.gz OYWAJHIGHIVKSY-QGZVFWFLSA-N 0 3 346.471 3.370 20 10 EGCDHN C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768462720 1302911962 /nfs/dbraw/zinc/91/19/62/1302911962.db2.gz CFRSLQQTJVVQBC-ACWOFJMJSA-N 0 3 325.408 3.196 20 10 EGCDHN C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768462720 1302911970 /nfs/dbraw/zinc/91/19/70/1302911970.db2.gz CFRSLQQTJVVQBC-ACWOFJMJSA-N 0 3 325.408 3.196 20 10 EGCDHN CCCCCCNC(=O)[C@@H]1CCC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000769202040 1303069141 /nfs/dbraw/zinc/06/91/41/1303069141.db2.gz LVBLBJRZOCNPNB-MRXNPFEDSA-N 0 3 348.487 3.309 20 10 EGCDHN CCCCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000769202040 1303069145 /nfs/dbraw/zinc/06/91/45/1303069145.db2.gz LVBLBJRZOCNPNB-MRXNPFEDSA-N 0 3 348.487 3.309 20 10 EGCDHN COC[C@@H]1CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000769402523 1303106962 /nfs/dbraw/zinc/10/69/62/1303106962.db2.gz HQLUBMPXIGLKFI-QGZVFWFLSA-N 0 3 347.459 3.444 20 10 EGCDHN CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc([O-])cs1 ZINC000769654829 1303153601 /nfs/dbraw/zinc/15/36/01/1303153601.db2.gz VZTKHIZQUNSHCI-MRXNPFEDSA-N 0 3 332.469 3.340 20 10 EGCDHN CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cc([O-])cs1 ZINC000769654829 1303153605 /nfs/dbraw/zinc/15/36/05/1303153605.db2.gz VZTKHIZQUNSHCI-MRXNPFEDSA-N 0 3 332.469 3.340 20 10 EGCDHN CC(C)N1C[C@@H](N[C@@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1=O ZINC000773008687 1303605627 /nfs/dbraw/zinc/60/56/27/1303605627.db2.gz XLYKEMKXLYGQLU-RDJZCZTQSA-N 0 3 347.478 3.476 20 10 EGCDHN Cc1ccccc1CNC(=O)[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774478502 1303814723 /nfs/dbraw/zinc/81/47/23/1303814723.db2.gz FDTZZJSMPAAQLA-IRXDYDNUSA-N 0 3 339.483 3.417 20 10 EGCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+]C[C@@H]2CCC=CO2)C1 ZINC000775012453 1303888575 /nfs/dbraw/zinc/88/85/75/1303888575.db2.gz PHWJHHOQSJQJBM-IRXDYDNUSA-N 0 3 336.863 3.292 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2ccc3c(c2)CCC3)c1 ZINC000775364279 1303947004 /nfs/dbraw/zinc/94/70/04/1303947004.db2.gz QNCJTEVKKMAJTL-ZDUSSCGKSA-N 0 3 340.423 3.179 20 10 EGCDHN CC[C@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)c1ccccc1[O-] ZINC000775489115 1303971777 /nfs/dbraw/zinc/97/17/77/1303971777.db2.gz NAJDOEFLFCIQKG-KRWDZBQOSA-N 0 3 333.453 3.048 20 10 EGCDHN CC[C@@H]([NH2+]CC(C)(C)N1CCN(C)CC1)c1cc(Cl)ccc1[O-] ZINC000775493252 1303973335 /nfs/dbraw/zinc/97/33/35/1303973335.db2.gz WHNMUFDQEAWFPT-MRXNPFEDSA-N 0 3 339.911 3.112 20 10 EGCDHN Cc1ccc(CNC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)cc1F ZINC000775834401 1304047189 /nfs/dbraw/zinc/04/71/89/1304047189.db2.gz NNOWLRMDBCQVOO-OAHLLOKOSA-N 0 3 343.446 3.167 20 10 EGCDHN COc1cccc(C2(NCc3cc(OC)c(OC)cc3O)CC2)c1 ZINC000776241003 1304119347 /nfs/dbraw/zinc/11/93/47/1304119347.db2.gz HEBBTZRWLIJRLO-UHFFFAOYSA-N 0 3 329.396 3.197 20 10 EGCDHN [O-]c1ccc(F)cc1C[NH2+]CCOc1ccc(Br)cc1 ZINC000779074072 1304526166 /nfs/dbraw/zinc/52/61/66/1304526166.db2.gz VHZXGYCWVSBDFS-UHFFFAOYSA-N 0 3 340.192 3.462 20 10 EGCDHN Cc1oc(C)c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1C ZINC000891252070 1305000155 /nfs/dbraw/zinc/00/01/55/1305000155.db2.gz FRLXJCPWBLQTSI-SFHVURJKSA-N 0 3 343.471 3.304 20 10 EGCDHN CC(C)c1[nH]ccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891249805 1305000255 /nfs/dbraw/zinc/00/02/55/1305000255.db2.gz SXVAOTQGMWHBFP-GOSISDBHSA-N 0 3 342.487 3.237 20 10 EGCDHN CCC[N@H+](Cc1ccc(OC)c(OC)c1[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000892101947 1305250508 /nfs/dbraw/zinc/25/05/08/1305250508.db2.gz PAQRNFCJVOUJHN-NIKGAXFTSA-N 0 3 349.471 3.435 20 10 EGCDHN CCC[N@@H+](Cc1ccc(OC)c(OC)c1[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000892101947 1305250515 /nfs/dbraw/zinc/25/05/15/1305250515.db2.gz PAQRNFCJVOUJHN-NIKGAXFTSA-N 0 3 349.471 3.435 20 10 EGCDHN CCCN(Cc1ccccc1O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000790892004 1308882625 /nfs/dbraw/zinc/88/26/25/1308882625.db2.gz SUZZKFWPJQEPEX-GOSISDBHSA-N 0 3 347.503 3.434 20 10 EGCDHN CC[NH+](CC)CCO[C@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792170715 1309136087 /nfs/dbraw/zinc/13/60/87/1309136087.db2.gz WFRYOGQJXLQGRM-ZDUSSCGKSA-N 0 3 344.858 3.117 20 10 EGCDHN COc1ccc(C[NH2+][C@H](C)CC(=O)Nc2cccc(C)c2)c([O-])c1 ZINC000793388509 1309361034 /nfs/dbraw/zinc/36/10/34/1309361034.db2.gz PEZXWSBNIZJMOR-CQSZACIVSA-N 0 3 328.412 3.216 20 10 EGCDHN CC[C@@H]([NH2+]Cc1ccc(OCCOC)nc1)c1ccc(C)cc1[O-] ZINC000794797569 1309596409 /nfs/dbraw/zinc/59/64/09/1309596409.db2.gz OJTGKKNYGWBOOY-QGZVFWFLSA-N 0 3 330.428 3.362 20 10 EGCDHN CC(C)NC(=O)OC[C@H]1CCCCN1Cc1ccc(N(C)C)cc1 ZINC000796710573 1310070934 /nfs/dbraw/zinc/07/09/34/1310070934.db2.gz YIQDLYCYRAXZBW-GOSISDBHSA-N 0 3 333.476 3.242 20 10 EGCDHN COc1ccc(O)c(CN(CCc2ccccn2)Cc2cccnc2)c1 ZINC000797605329 1310221266 /nfs/dbraw/zinc/22/12/66/1310221266.db2.gz NGICNWXWTMNOJH-UHFFFAOYSA-N 0 3 349.434 3.436 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+][C@@H](CCO)Cc2ccccc2)c1[O-] ZINC000799738995 1310610759 /nfs/dbraw/zinc/61/07/59/1310610759.db2.gz FZUMUWCXHSFIJE-INIZCTEOSA-N 0 3 335.831 3.138 20 10 EGCDHN COc1ccc(N2CCC(N[C@H](C)c3cc(C)n(C)n3)CC2)cc1 ZINC000800477387 1310767212 /nfs/dbraw/zinc/76/72/12/1310767212.db2.gz YSLNHCXFKHRPMI-OAHLLOKOSA-N 0 3 328.460 3.057 20 10 EGCDHN CCCCN(CC(=O)N1C[C@H](C)C[C@@H](C)C1)Cc1ccccc1O ZINC000801596797 1310971558 /nfs/dbraw/zinc/97/15/58/1310971558.db2.gz PGQLLVMWNHXGCK-IAGOWNOFSA-N 0 3 332.488 3.499 20 10 EGCDHN Cc1nccn1C[C@@H](C)C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825089512 1320308427 /nfs/dbraw/zinc/30/84/27/1320308427.db2.gz DNQIIIAHNXRYCT-NSHDSACASA-N 0 3 338.249 3.086 20 10 EGCDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)N(C)c1ccccc1 ZINC000839564640 1320938379 /nfs/dbraw/zinc/93/83/79/1320938379.db2.gz WKYIGQRLTTVZOM-HOTGVXAUSA-N 0 3 325.456 3.455 20 10 EGCDHN COc1cc(N2CCN(Cc3cccc(C)c3O)CC2)ccc1F ZINC000802660008 1317023468 /nfs/dbraw/zinc/02/34/68/1317023468.db2.gz WJCDWUHFSFVNDG-UHFFFAOYSA-N 0 3 330.403 3.171 20 10 EGCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000802658523 1317023866 /nfs/dbraw/zinc/02/38/66/1317023866.db2.gz HYPALQBLMRDHHX-OAHLLOKOSA-N 0 3 340.192 3.117 20 10 EGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2CN(CC(C)C)CCO2)c1[O-] ZINC000808672388 1317711772 /nfs/dbraw/zinc/71/17/72/1317711772.db2.gz MACUOZHEHOFIDO-GDBMZVCRSA-N 0 3 340.895 3.361 20 10 EGCDHN COC(=O)c1cc(CN(Cc2ccc(N(C)C)cc2)C2CC2)cn1C ZINC000809545523 1317828111 /nfs/dbraw/zinc/82/81/11/1317828111.db2.gz FHGLTYUVLDZABL-UHFFFAOYSA-N 0 3 341.455 3.042 20 10 EGCDHN CN(Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000809693336 1317866607 /nfs/dbraw/zinc/86/66/07/1317866607.db2.gz TTWFEADJAYYBEY-INIZCTEOSA-N 0 3 333.432 3.196 20 10 EGCDHN CCOc1ccc(C[N@H+](C)CCCN(C)Cc2ccco2)c([O-])c1 ZINC000809718883 1317874922 /nfs/dbraw/zinc/87/49/22/1317874922.db2.gz QXHAPDMWLXPBGU-UHFFFAOYSA-N 0 3 332.444 3.338 20 10 EGCDHN CCOc1ccc(C[N@@H+](C)CCCN(C)Cc2ccco2)c([O-])c1 ZINC000809718883 1317874926 /nfs/dbraw/zinc/87/49/26/1317874926.db2.gz QXHAPDMWLXPBGU-UHFFFAOYSA-N 0 3 332.444 3.338 20 10 EGCDHN CCOC1CC([N@H+](C)Cc2cc(Br)cc(OC)c2[O-])C1 ZINC000809774761 1317895988 /nfs/dbraw/zinc/89/59/88/1317895988.db2.gz ZAXDVTQTVDGHAW-UHFFFAOYSA-N 0 3 344.249 3.163 20 10 EGCDHN CCOC1CC([N@@H+](C)Cc2cc(Br)cc(OC)c2[O-])C1 ZINC000809774761 1317895993 /nfs/dbraw/zinc/89/59/93/1317895993.db2.gz ZAXDVTQTVDGHAW-UHFFFAOYSA-N 0 3 344.249 3.163 20 10 EGCDHN CC[S@@](=O)CC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815579668 1319018773 /nfs/dbraw/zinc/01/87/73/1319018773.db2.gz SCJZWNWUDMIPPT-WZONZLPQSA-N 0 3 331.481 3.424 20 10 EGCDHN C[C@@H]([NH2+]CC[C@@H](O)COCc1ccccc1)c1cc(F)ccc1[O-] ZINC000858594245 1328805459 /nfs/dbraw/zinc/80/54/59/1328805459.db2.gz AQVOEDBLFSZDKH-RHSMWYFYSA-N 0 3 333.403 3.150 20 10 EGCDHN CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc3ccccc3c2[O-])s1 ZINC000816589129 1319188140 /nfs/dbraw/zinc/18/81/40/1319188140.db2.gz MHHGMCWYAJHQIS-UHFFFAOYSA-N 0 3 347.461 3.300 20 10 EGCDHN O=[N+]([O-])c1cc(CN2CCC[C@H](CO)CC2)ccc1N1CCCCC1 ZINC000816665682 1319205358 /nfs/dbraw/zinc/20/53/58/1319205358.db2.gz QNUGIBWHJBXTQG-INIZCTEOSA-N 0 3 347.459 3.180 20 10 EGCDHN N[C@@H](CC1CCCCC1)C(=O)NCCCSc1nccs1 ZINC000817941944 1319469984 /nfs/dbraw/zinc/46/99/84/1319469984.db2.gz UDSHVSLLUHSBOZ-ZDUSSCGKSA-N 0 3 327.519 3.039 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1[O-] ZINC000824721909 1320279804 /nfs/dbraw/zinc/27/98/04/1320279804.db2.gz KVHKCTWNETVSMP-KFWWJZLASA-N 0 3 325.836 3.180 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1[O-] ZINC000824721909 1320279809 /nfs/dbraw/zinc/27/98/09/1320279809.db2.gz KVHKCTWNETVSMP-KFWWJZLASA-N 0 3 325.836 3.180 20 10 EGCDHN COc1ccc(CNCc2cccc(F)c2OC(F)F)c(O)c1 ZINC000825752790 1320360698 /nfs/dbraw/zinc/36/06/98/1320360698.db2.gz JHENWXAFTMZGAO-UHFFFAOYSA-N 0 3 327.302 3.431 20 10 EGCDHN CCN(CC)c1ccc(CNC(=O)[C@@H]2CNCc3ccccc32)cc1 ZINC000827341060 1320445814 /nfs/dbraw/zinc/44/58/14/1320445814.db2.gz RTCKWIQXJGZRJQ-HXUWFJFHSA-N 0 3 337.467 3.036 20 10 EGCDHN COc1ccc(N2CCC(N[C@@H](C)c3cc4n(n3)CCC4)CC2)cc1 ZINC000840721128 1321134445 /nfs/dbraw/zinc/13/44/45/1321134445.db2.gz SLMRJUPVFLEMDL-HNNXBMFYSA-N 0 3 340.471 3.158 20 10 EGCDHN Cc1cc(N(C)C)ccc1CN1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000840942131 1321183296 /nfs/dbraw/zinc/18/32/96/1321183296.db2.gz SYZLVPMQAZUFMF-GOEBONIOSA-N 0 3 330.394 3.196 20 10 EGCDHN [O-]c1ccccc1C[NH2+][C@H](c1ccccc1)C1(CO)CCOCC1 ZINC000840972700 1321191692 /nfs/dbraw/zinc/19/16/92/1321191692.db2.gz RNWMKJZUIMYBNK-LJQANCHMSA-N 0 3 327.424 3.012 20 10 EGCDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1ccc(N)cc1 ZINC000841301536 1321249705 /nfs/dbraw/zinc/24/97/05/1321249705.db2.gz SWUJVRSYOSJBQS-UHFFFAOYSA-N 0 3 348.397 3.143 20 10 EGCDHN CCOc1ccc(C[NH+]2CCC(OC)(C(F)(F)F)CC2)c([O-])c1 ZINC000841888260 1321326417 /nfs/dbraw/zinc/32/64/17/1321326417.db2.gz GLEIXWCOQKJANF-UHFFFAOYSA-N 0 3 333.350 3.334 20 10 EGCDHN CCOc1ccc(CN2CCC(OC)(C(F)(F)F)CC2)c(O)c1 ZINC000841888260 1321326420 /nfs/dbraw/zinc/32/64/20/1321326420.db2.gz GLEIXWCOQKJANF-UHFFFAOYSA-N 0 3 333.350 3.334 20 10 EGCDHN CCCN(Cc1cc(C)cc(Br)c1[O-])[C@H]1CC[NH2+]C1 ZINC000843052489 1321462509 /nfs/dbraw/zinc/46/25/09/1321462509.db2.gz MNSKZLWNFYCCFY-ZDUSSCGKSA-N 0 3 327.266 3.037 20 10 EGCDHN C[C@H](C[C@@H](C)[NH2+]Cc1cc(F)ccc1[O-])NC(=O)OC(C)(C)C ZINC000843415529 1321514271 /nfs/dbraw/zinc/51/42/71/1321514271.db2.gz CHHFZYCRAMVBRQ-VXGBXAGGSA-N 0 3 326.412 3.313 20 10 EGCDHN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H](N)CC(F)F ZINC000843484307 1321522476 /nfs/dbraw/zinc/52/24/76/1321522476.db2.gz JPBNLXWCBYWAFA-CJNGLKHVSA-N 0 3 348.393 3.465 20 10 EGCDHN COc1ccc(N(C)CCN(C)Cc2c(C)nc3ccccn32)cc1 ZINC000844400703 1321600745 /nfs/dbraw/zinc/60/07/45/1321600745.db2.gz GZVLDOPRRGLPBS-UHFFFAOYSA-N 0 3 338.455 3.220 20 10 EGCDHN COc1ccc(N(C)CCN(C)Cc2cccc(NC(C)=O)c2)cc1 ZINC000844400278 1321600869 /nfs/dbraw/zinc/60/08/69/1321600869.db2.gz ZCUVZOXCWVMXSD-UHFFFAOYSA-N 0 3 341.455 3.222 20 10 EGCDHN C[C@H]1CCCN(Cc2cccc(Br)c2[O-])[C@H]1CC[NH3+] ZINC000844902319 1321656067 /nfs/dbraw/zinc/65/60/67/1321656067.db2.gz PGTKXOCCFKXLDA-FZMZJTMJSA-N 0 3 327.266 3.104 20 10 EGCDHN C[C@H](NCc1cc(=O)n2ccccc2n1)c1cc2c(cc1O)CCCC2 ZINC000846213215 1321776812 /nfs/dbraw/zinc/77/68/12/1321776812.db2.gz HKWHKSOVJRNROH-AWEZNQCLSA-N 0 3 349.434 3.130 20 10 EGCDHN COc1cc(CNCc2cccc(N(C)C)n2)c(O)c(C(C)(C)C)c1 ZINC000850226924 1322210452 /nfs/dbraw/zinc/21/04/52/1322210452.db2.gz OBLHSSSRHAAEPL-UHFFFAOYSA-N 0 3 343.471 3.449 20 10 EGCDHN COc1ccc(O)c([C@@H](C)NCc2cccnc2N2CCCC2)c1 ZINC000850500080 1322257622 /nfs/dbraw/zinc/25/76/22/1322257622.db2.gz CODYJEYOHHKQCE-CQSZACIVSA-N 0 3 327.428 3.247 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)c2c1c(F)ccc2[O-] ZINC000850500519 1322257782 /nfs/dbraw/zinc/25/77/82/1322257782.db2.gz FCDNEHZWHYQKNM-YFHOXSNXSA-N 0 3 325.449 3.359 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCCNC3=O)cc2)c([O-])c1 ZINC000850574765 1322270692 /nfs/dbraw/zinc/27/06/92/1322270692.db2.gz JPZANSBDBBNYRB-OAHLLOKOSA-N 0 3 339.439 3.471 20 10 EGCDHN C[C@H](NCc1cccc2c1OCC2)c1ccc(N2CCOCC2)cc1 ZINC000921591048 1322360328 /nfs/dbraw/zinc/36/03/28/1322360328.db2.gz GBRYKHYPCYYXCB-INIZCTEOSA-N 0 3 338.451 3.309 20 10 EGCDHN C[C@@H]1CN(Cc2c([O-])cccc2Br)CC[N@H+](C2CC2)C1 ZINC000862380611 1329480777 /nfs/dbraw/zinc/48/07/77/1329480777.db2.gz KTOVCQUOXXVDQB-GFCCVEGCSA-N 0 3 339.277 3.071 20 10 EGCDHN C[C@@H]1CN(Cc2c([O-])cccc2Br)CC[N@@H+](C2CC2)C1 ZINC000862380611 1329480775 /nfs/dbraw/zinc/48/07/75/1329480775.db2.gz KTOVCQUOXXVDQB-GFCCVEGCSA-N 0 3 339.277 3.071 20 10 EGCDHN COc1ccc(N2CC[C@@H](CNCc3cnc(C4CC4)o3)C2)cc1 ZINC000862397031 1329482349 /nfs/dbraw/zinc/48/23/49/1329482349.db2.gz AHZJVSIEICCWEH-AWEZNQCLSA-N 0 3 327.428 3.177 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@@](C)(CO)CC2)c1[O-] ZINC001233107317 1376571103 /nfs/dbraw/zinc/57/11/03/1376571103.db2.gz XJEBEIGWHIGFNN-MRXNPFEDSA-N 0 3 342.277 3.448 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@@](C)(CO)CC2)c1[O-] ZINC001233107317 1376571107 /nfs/dbraw/zinc/57/11/07/1376571107.db2.gz XJEBEIGWHIGFNN-MRXNPFEDSA-N 0 3 342.277 3.448 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@H](C)[C@@H](O)CC2)c1[O-] ZINC001233107301 1376570993 /nfs/dbraw/zinc/57/09/93/1376570993.db2.gz XEVKLMDYNJNQIJ-HZMBPMFUSA-N 0 3 328.250 3.056 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@H](C)[C@@H](O)CC2)c1[O-] ZINC001233107301 1376570998 /nfs/dbraw/zinc/57/09/98/1376570998.db2.gz XEVKLMDYNJNQIJ-HZMBPMFUSA-N 0 3 328.250 3.056 20 10 EGCDHN Cc1cc([O-])c(C[N@H+]2C[C@H](CO)CC[C@@H]2C)cc1Br ZINC001237676264 1376983576 /nfs/dbraw/zinc/98/35/76/1376983576.db2.gz HKLOGAAEIBIBQY-NWDGAFQWSA-N 0 3 328.250 3.056 20 10 EGCDHN Cc1cc([O-])c(C[N@@H+]2C[C@H](CO)CC[C@@H]2C)cc1Br ZINC001237676264 1376983581 /nfs/dbraw/zinc/98/35/81/1376983581.db2.gz HKLOGAAEIBIBQY-NWDGAFQWSA-N 0 3 328.250 3.056 20 10 EGCDHN C[C@H](c1ccncc1)N(C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001323844449 1387471473 /nfs/dbraw/zinc/47/14/73/1387471473.db2.gz KBJLZPNZPTUFPB-MRXNPFEDSA-N 0 3 342.462 3.166 20 10 EGCDHN O=C(OCc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC001203563087 1370171164 /nfs/dbraw/zinc/17/11/64/1370171164.db2.gz VEAVYGLYJQLBLV-SFHVURJKSA-N 0 3 325.408 3.348 20 10 EGCDHN O=C(OCc1ccccc1)[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC001203563087 1370171166 /nfs/dbraw/zinc/17/11/66/1370171166.db2.gz VEAVYGLYJQLBLV-SFHVURJKSA-N 0 3 325.408 3.348 20 10 EGCDHN COc1cccc(CN2CCN([C@H](C)c3ccccc3)CC2)c1O ZINC001203596573 1370182607 /nfs/dbraw/zinc/18/26/07/1370182607.db2.gz JDESUKFBZQFTQA-MRXNPFEDSA-N 0 3 326.440 3.280 20 10 EGCDHN [O-]c1ccc(Cl)cc1C[NH+]1C[C@@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001203655718 1370203847 /nfs/dbraw/zinc/20/38/47/1370203847.db2.gz BHUUKMPKRKVVAP-IRXDYDNUSA-N 0 3 343.858 3.004 20 10 EGCDHN CC(C)(C)OC(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1ccc(O)c(O)c1 ZINC001203882527 1370298634 /nfs/dbraw/zinc/29/86/34/1370298634.db2.gz KMIWKGJRJBORMP-GOOCMWNKSA-N 0 3 348.443 3.118 20 10 EGCDHN CCN(CC)c1ccc(CN2CC[C@@H](Oc3ncc(F)cn3)C2)cc1 ZINC001203943418 1370324393 /nfs/dbraw/zinc/32/43/93/1370324393.db2.gz ASMXRVOQUXJMJZ-GOSISDBHSA-N 0 3 344.434 3.115 20 10 EGCDHN CCN(CC)c1ccc(CN2CC[C@H](Oc3ncc(F)cn3)C2)cc1 ZINC001203943419 1370324545 /nfs/dbraw/zinc/32/45/45/1370324545.db2.gz ASMXRVOQUXJMJZ-SFHVURJKSA-N 0 3 344.434 3.115 20 10 EGCDHN C[N@H+](CCc1cccc(C(F)(F)F)n1)Cc1ccc(O)cc1[O-] ZINC001204273079 1370428441 /nfs/dbraw/zinc/42/84/41/1370428441.db2.gz WZXUTPWXOAGBAQ-UHFFFAOYSA-N 0 3 326.318 3.186 20 10 EGCDHN C[N@@H+](CCc1cccc(C(F)(F)F)n1)Cc1ccc(O)cc1[O-] ZINC001204273079 1370428443 /nfs/dbraw/zinc/42/84/43/1370428443.db2.gz WZXUTPWXOAGBAQ-UHFFFAOYSA-N 0 3 326.318 3.186 20 10 EGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@](N)(C(F)(F)F)C3)c2c1 ZINC001206243674 1371002125 /nfs/dbraw/zinc/00/21/25/1371002125.db2.gz FGNFGGXLSIRWOT-MRXNPFEDSA-N 0 3 340.345 3.020 20 10 EGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@](N)(C(F)(F)F)C3)c2c1 ZINC001206243674 1371002132 /nfs/dbraw/zinc/00/21/32/1371002132.db2.gz FGNFGGXLSIRWOT-MRXNPFEDSA-N 0 3 340.345 3.020 20 10 EGCDHN CN(C)Cc1ccc(-c2noc(-c3nnsc3C3CC3)n2)cc1 ZINC001212679625 1372751627 /nfs/dbraw/zinc/75/16/27/1372751627.db2.gz LXODRIDUAKCNHC-UHFFFAOYSA-N 0 3 327.413 3.194 20 10 EGCDHN c1ccn(-c2ccc(-c3nc(-c4ccc5c(n4)CCNC5)no3)cc2)c1 ZINC001215391283 1373204567 /nfs/dbraw/zinc/20/45/67/1373204567.db2.gz LHRGSQXTXUORMG-UHFFFAOYSA-N 0 3 343.390 3.235 20 10 EGCDHN Cc1ccc(C)n1-c1ccc(-c2noc(-c3n[nH]c4c3CNC4)n2)cc1 ZINC001217207959 1373406792 /nfs/dbraw/zinc/40/67/92/1373406792.db2.gz MFSBZYNWKPUKAS-UHFFFAOYSA-N 0 3 346.394 3.137 20 10 EGCDHN COc1cc(CN2CCC(Oc3ccccc3)CC2)c(O)cc1O ZINC001231635391 1376287554 /nfs/dbraw/zinc/28/75/54/1376287554.db2.gz XVTGBIFQKIWXNZ-UHFFFAOYSA-N 0 3 329.396 3.150 20 10 EGCDHN COc1ccccc1CN1CCN(Cc2c(C)cc(C)cc2O)CC1 ZINC001231845680 1376326076 /nfs/dbraw/zinc/32/60/76/1376326076.db2.gz PWFCWWUSPOCCRV-UHFFFAOYSA-N 0 3 340.467 3.335 20 10 EGCDHN COc1cc(C[N@@H+]2CCc3cccc([O-])c3C2)ccc1-n1cnc(C)c1 ZINC001232565837 1376481864 /nfs/dbraw/zinc/48/18/64/1376481864.db2.gz ZSFLAVVRDOREJD-UHFFFAOYSA-N 0 3 349.434 3.453 20 10 EGCDHN COc1cc(C[N@H+]2CCc3cccc([O-])c3C2)ccc1-n1cnc(C)c1 ZINC001232565837 1376481866 /nfs/dbraw/zinc/48/18/66/1376481866.db2.gz ZSFLAVVRDOREJD-UHFFFAOYSA-N 0 3 349.434 3.453 20 10 EGCDHN CN(C)c1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)c(O)c1 ZINC001232834722 1376521018 /nfs/dbraw/zinc/52/10/18/1376521018.db2.gz KOWLXCVZBNYDTF-UHFFFAOYSA-N 0 3 345.874 3.434 20 10 EGCDHN CC1(CO)C[NH+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC001233194266 1376583646 /nfs/dbraw/zinc/58/36/46/1376583646.db2.gz OYCLDKXZPYPOSE-UHFFFAOYSA-N 0 3 336.229 3.122 20 10 EGCDHN COC[C@@]12CCC[C@@H]1C[N@H+](Cc1cc(Cl)cc(OC)c1[O-])C2 ZINC001233289570 1376605842 /nfs/dbraw/zinc/60/58/42/1376605842.db2.gz ZZKWYDNCAODNNX-DYVFJYSZSA-N 0 3 325.836 3.303 20 10 EGCDHN COC[C@@]12CCC[C@@H]1C[N@@H+](Cc1cc(Cl)cc(OC)c1[O-])C2 ZINC001233289570 1376605855 /nfs/dbraw/zinc/60/58/55/1376605855.db2.gz ZZKWYDNCAODNNX-DYVFJYSZSA-N 0 3 325.836 3.303 20 10 EGCDHN Oc1cc(O)c(CN2CCC3(CCc4ccccc4O3)CC2)cc1O ZINC001233486335 1376652502 /nfs/dbraw/zinc/65/25/02/1376652502.db2.gz JFXKUFPJQZNJGO-UHFFFAOYSA-N 0 3 341.407 3.163 20 10 EGCDHN CC[N@H+](CCn1ccnc1)Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233776459 1376715148 /nfs/dbraw/zinc/71/51/48/1376715148.db2.gz SVQLTVKCONBXDA-UHFFFAOYSA-N 0 3 329.322 3.009 20 10 EGCDHN CC[N@@H+](CCn1ccnc1)Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233776459 1376715153 /nfs/dbraw/zinc/71/51/53/1376715153.db2.gz SVQLTVKCONBXDA-UHFFFAOYSA-N 0 3 329.322 3.009 20 10 EGCDHN CCC[N@H+](Cc1cc(Br)c(F)cc1[O-])C1CCNCC1 ZINC001236183135 1376940405 /nfs/dbraw/zinc/94/04/05/1376940405.db2.gz VBLQBFVGMGBTEZ-UHFFFAOYSA-N 0 3 345.256 3.258 20 10 EGCDHN CCC[N@@H+](Cc1cc(Br)c(F)cc1[O-])C1CCNCC1 ZINC001236183135 1376940410 /nfs/dbraw/zinc/94/04/10/1376940410.db2.gz VBLQBFVGMGBTEZ-UHFFFAOYSA-N 0 3 345.256 3.258 20 10 EGCDHN C[C@]1(O)CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])CC1 ZINC001237054285 1376970872 /nfs/dbraw/zinc/97/08/72/1376970872.db2.gz YTGQUWLKDBCEPZ-HNNXBMFYSA-N 0 3 333.350 3.070 20 10 EGCDHN C[C@]1(O)CCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])CC1 ZINC001237054285 1376970880 /nfs/dbraw/zinc/97/08/80/1376970880.db2.gz YTGQUWLKDBCEPZ-HNNXBMFYSA-N 0 3 333.350 3.070 20 10 EGCDHN C[N@H+](Cc1cc(C(F)(F)F)ccc1[O-])[C@@H]1CCC2(C1)OCCO2 ZINC001237141789 1376975752 /nfs/dbraw/zinc/97/57/52/1376975752.db2.gz CJNNRRVAZWUPCG-CYBMUJFWSA-N 0 3 331.334 3.138 20 10 EGCDHN C[N@@H+](Cc1cc(C(F)(F)F)ccc1[O-])[C@@H]1CCC2(C1)OCCO2 ZINC001237141789 1376975756 /nfs/dbraw/zinc/97/57/56/1376975756.db2.gz CJNNRRVAZWUPCG-CYBMUJFWSA-N 0 3 331.334 3.138 20 10 EGCDHN COC(=O)Cc1ccc(C[N@H+](C)[C@H](C)c2ccccc2OC)c([O-])c1 ZINC001249207878 1377072877 /nfs/dbraw/zinc/07/28/77/1377072877.db2.gz LFQDWKAKBFLWNR-CQSZACIVSA-N 0 3 343.423 3.309 20 10 EGCDHN COC(=O)Cc1ccc(C[N@@H+](C)[C@H](C)c2ccccc2OC)c([O-])c1 ZINC001249207878 1377072880 /nfs/dbraw/zinc/07/28/80/1377072880.db2.gz LFQDWKAKBFLWNR-CQSZACIVSA-N 0 3 343.423 3.309 20 10 EGCDHN CO[C@@H](CN1CCN(Cc2c([O-])cccc2F)CC1)c1ccccc1 ZINC001137839632 1377629027 /nfs/dbraw/zinc/62/90/27/1377629027.db2.gz FYHZWUVMNGQBTK-FQEVSTJZSA-N 0 3 344.430 3.037 20 10 EGCDHN CO[C@@H](CN1CCN(Cc2c(O)cccc2F)CC1)c1ccccc1 ZINC001137839632 1377629030 /nfs/dbraw/zinc/62/90/30/1377629030.db2.gz FYHZWUVMNGQBTK-FQEVSTJZSA-N 0 3 344.430 3.037 20 10 EGCDHN Cc1cc(CN2CCC[C@]3(CCNC3=O)C2)c(C)n1-c1ccccc1 ZINC001137855811 1377631636 /nfs/dbraw/zinc/63/16/36/1377631636.db2.gz GMFCGKKIKWCVRV-NRFANRHFSA-N 0 3 337.467 3.196 20 10 EGCDHN Cc1c(CN(C)CCNC(=O)OC(C)(C)C)c2ccccc2n1C ZINC001138252652 1377694368 /nfs/dbraw/zinc/69/43/68/1377694368.db2.gz OVRCQLKQQZZVGB-UHFFFAOYSA-N 0 3 331.460 3.443 20 10 EGCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001140053920 1377996638 /nfs/dbraw/zinc/99/66/38/1377996638.db2.gz FBCFWGNGXDIRCJ-CZUORRHYSA-N 0 3 347.459 3.084 20 10 EGCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001140053920 1377996639 /nfs/dbraw/zinc/99/66/39/1377996639.db2.gz FBCFWGNGXDIRCJ-CZUORRHYSA-N 0 3 347.459 3.084 20 10 EGCDHN Oc1ccc(F)cc1CN1CCC[C@@H](c2noc(C(F)(F)F)n2)C1 ZINC001140054936 1377996770 /nfs/dbraw/zinc/99/67/70/1377996770.db2.gz AJMAKMBIRAONQZ-SECBINFHSA-N 0 3 345.296 3.313 20 10 EGCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H](c2noc(C(F)(F)F)n2)C1 ZINC001140054936 1377996771 /nfs/dbraw/zinc/99/67/71/1377996771.db2.gz AJMAKMBIRAONQZ-SECBINFHSA-N 0 3 345.296 3.313 20 10 EGCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H](c2noc(C(F)(F)F)n2)C1 ZINC001140054936 1377996772 /nfs/dbraw/zinc/99/67/72/1377996772.db2.gz AJMAKMBIRAONQZ-SECBINFHSA-N 0 3 345.296 3.313 20 10 EGCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H]2O[C@@H](COCC3CC3)CC[C@H]21 ZINC001140054228 1377997027 /nfs/dbraw/zinc/99/70/27/1377997027.db2.gz MPSJQQLIBVKBRH-ZHALLVOQSA-N 0 3 335.419 3.080 20 10 EGCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H]2O[C@@H](COCC3CC3)CC[C@H]21 ZINC001140054228 1377997032 /nfs/dbraw/zinc/99/70/32/1377997032.db2.gz MPSJQQLIBVKBRH-ZHALLVOQSA-N 0 3 335.419 3.080 20 10 EGCDHN CCOC[C@H]1CN(Cc2c(C)ccc(C)c2O)Cc2cn(CC)nc21 ZINC001140181935 1378027141 /nfs/dbraw/zinc/02/71/41/1378027141.db2.gz ZUVYMZFMGKZUIW-QGZVFWFLSA-N 0 3 343.471 3.361 20 10 EGCDHN OC1CCN(c2ccc(CN3CC[C@H](F)C(F)(F)CC3)cc2)CC1 ZINC001140281566 1378039790 /nfs/dbraw/zinc/03/97/90/1378039790.db2.gz JJNNWMLGEYTVAX-KRWDZBQOSA-N 0 3 342.405 3.217 20 10 EGCDHN CCN1CCN(c2ccc(CN3Cc4cnc(C)cc4C3)cc2)CC1 ZINC001140306181 1378043761 /nfs/dbraw/zinc/04/37/61/1378043761.db2.gz NTNBMZZXTCGNGH-UHFFFAOYSA-N 0 3 336.483 3.048 20 10 EGCDHN [O-]c1cc(Cl)ccc1CN1CCC([NH+]2CCC(F)CC2)CC1 ZINC001140465040 1378067660 /nfs/dbraw/zinc/06/76/60/1378067660.db2.gz FWYSCXGNUQHYGU-UHFFFAOYSA-N 0 3 326.843 3.444 20 10 EGCDHN CC[C@H](C)N1CC2(CCC1=O)CC[NH+](Cc1ccccc1[O-])CC2 ZINC001272618680 1378076300 /nfs/dbraw/zinc/07/63/00/1378076300.db2.gz MSALTPAQCGLRFV-INIZCTEOSA-N 0 3 330.472 3.395 20 10 EGCDHN CC[C@@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001273284712 1378094434 /nfs/dbraw/zinc/09/44/34/1378094434.db2.gz KNTWJKWIROJQMF-CJNGLKHVSA-N 0 3 334.435 3.048 20 10 EGCDHN CCOC[C@@H]1COCCC12CC[NH+](Cc1ccc(C)cc1[O-])CC2 ZINC001140949906 1378189645 /nfs/dbraw/zinc/18/96/45/1378189645.db2.gz JOMJUOCWJCRGIO-GOSISDBHSA-N 0 3 333.472 3.356 20 10 EGCDHN CCOC[C@H]1COCCC12CC[NH+](Cc1ccc(C)cc1[O-])CC2 ZINC001140949907 1378190428 /nfs/dbraw/zinc/19/04/28/1378190428.db2.gz JOMJUOCWJCRGIO-SFHVURJKSA-N 0 3 333.472 3.356 20 10 EGCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H]2Cc2ccccn2)c(OC)c1 ZINC001141028208 1378211962 /nfs/dbraw/zinc/21/19/62/1378211962.db2.gz FXJRNXKCBXAXLA-OAHLLOKOSA-N 0 3 328.412 3.012 20 10 EGCDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H]2Cc2ccccn2)c(OC)c1 ZINC001141028208 1378211968 /nfs/dbraw/zinc/21/19/68/1378211968.db2.gz FXJRNXKCBXAXLA-OAHLLOKOSA-N 0 3 328.412 3.012 20 10 EGCDHN COc1cc([O-])c(C[NH+]2CCC3(CCC(C)(C)O3)CC2)c(OC)c1 ZINC001141030645 1378213278 /nfs/dbraw/zinc/21/32/78/1378213278.db2.gz FIGXLINQGHXBLE-UHFFFAOYSA-N 0 3 335.444 3.333 20 10 EGCDHN CCC[C@H](C(=O)c1ccccc1)N(C)Cc1c(O)cc(O)cc1O ZINC001144516468 1378739921 /nfs/dbraw/zinc/73/99/21/1378739921.db2.gz ZBKQJEBHZSIXCN-MRXNPFEDSA-N 0 3 329.396 3.287 20 10 EGCDHN Oc1cc2c(cc1O)CN(c1ncccc1CN1CCCC1)CCC2 ZINC001155947938 1380507358 /nfs/dbraw/zinc/50/73/58/1380507358.db2.gz GIWMSEPLEPDTHF-UHFFFAOYSA-N 0 3 339.439 3.041 20 10 EGCDHN Cc1cc(NCc2ccc(N3CCN(C)CC3)cc2)nc(C(C)C)n1 ZINC001156657476 1380606117 /nfs/dbraw/zinc/60/61/17/1380606117.db2.gz LCFBVBYTHXBYBD-UHFFFAOYSA-N 0 3 339.487 3.272 20 10 EGCDHN C[C@@H]1C[C@@H]([N@@H+]2CCc3cccc([O-])c3C2)CN1C(=O)OC(C)(C)C ZINC001168872652 1384042146 /nfs/dbraw/zinc/04/21/46/1384042146.db2.gz NXGOJEXWRBUXAA-UKRRQHHQSA-N 0 3 332.444 3.148 20 10 EGCDHN C[C@@H]1C[C@@H]([N@H+]2CCc3cccc([O-])c3C2)CN1C(=O)OC(C)(C)C ZINC001168872652 1384042150 /nfs/dbraw/zinc/04/21/50/1384042150.db2.gz NXGOJEXWRBUXAA-UKRRQHHQSA-N 0 3 332.444 3.148 20 10 EGCDHN CCOc1ccc(N2CCN([C@@H]3CCc4ncsc4C3)CC2)cc1 ZINC001173147884 1384924348 /nfs/dbraw/zinc/92/43/48/1384924348.db2.gz ZXGHURKCFRXVFB-MRXNPFEDSA-N 0 3 343.496 3.221 20 10 EGCDHN O=C(CNCc1ccc(N2CCCC2)cc1)N1CCCc2ccccc21 ZINC001322611243 1387213900 /nfs/dbraw/zinc/21/39/00/1387213900.db2.gz OOHLXOGFBAYYCP-UHFFFAOYSA-N 0 3 349.478 3.356 20 10 EGCDHN CC(C)c1nc(CNCc2ccc(N3CCN(C)CC3)cc2)cs1 ZINC001331932301 1389916950 /nfs/dbraw/zinc/91/69/50/1389916950.db2.gz HDMZUAXVZLAFKQ-UHFFFAOYSA-N 0 3 344.528 3.308 20 10 EGCDHN CN1CCN(c2ccc(CN3CC(C)(C)[C@H]3C3CC3)cc2F)CC1 ZINC001343552193 1390722187 /nfs/dbraw/zinc/72/21/87/1390722187.db2.gz LCUFYLVVFGDSJN-LJQANCHMSA-N 0 3 331.479 3.198 20 10 EGCDHN COc1ccc(CNC/C=C/CNC(=O)[C@H](C)c2ccco2)cc1C ZINC001754169118 1440546683 /nfs/dbraw/zinc/54/66/83/1440546683.db2.gz GKKGIBVFPUCZRT-DWTRPJMMSA-N 0 3 342.439 3.162 20 10 EGCDHN COc1ccc(CNC/C=C\CNC(=O)[C@@H](C)c2ccco2)cc1C ZINC001754169117 1440546765 /nfs/dbraw/zinc/54/67/65/1440546765.db2.gz GKKGIBVFPUCZRT-AWFCHZOYSA-N 0 3 342.439 3.162 20 10 EGCDHN C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824618646 946867983 /nfs/dbraw/zinc/86/79/83/946867983.db2.gz QKNBYKTYBMLPHV-CQSZACIVSA-N 0 3 348.454 3.100 20 10 EGCDHN Cc1cc([O-])c(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cc1C ZINC000054471302 214240124 /nfs/dbraw/zinc/24/01/24/214240124.db2.gz OTTDFBODUGTISW-OAHLLOKOSA-N 0 3 344.499 3.480 20 10 EGCDHN CC(C)[N@@H+]1CCCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000095453823 218397127 /nfs/dbraw/zinc/39/71/27/218397127.db2.gz RFULOGCDIRMEQU-UHFFFAOYSA-N 0 3 327.266 3.071 20 10 EGCDHN CC(C)[N@H+]1CCCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000095453823 218397130 /nfs/dbraw/zinc/39/71/30/218397130.db2.gz RFULOGCDIRMEQU-UHFFFAOYSA-N 0 3 327.266 3.071 20 10 EGCDHN [O-]c1cc2c(cc1C[NH2+]C[C@H](c1ccccc1)N1CCCC1)OCO2 ZINC000238129114 455255399 /nfs/dbraw/zinc/25/53/99/455255399.db2.gz WVOMEPDPDWQDBE-QGZVFWFLSA-N 0 3 340.423 3.048 20 10 EGCDHN C[C@@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)c1ccccc1[O-] ZINC000183390899 455287668 /nfs/dbraw/zinc/28/76/68/455287668.db2.gz XXPZKAGCEGCUPE-VQIMIIECSA-N 0 3 326.440 3.116 20 10 EGCDHN C[C@@H]([NH2+][C@@H]1CC(=O)N(c2c(F)cccc2F)C1)c1ccccc1[O-] ZINC000183589888 455309096 /nfs/dbraw/zinc/30/90/96/455309096.db2.gz DDURDESRZQLRNG-VXGBXAGGSA-N 0 3 332.350 3.127 20 10 EGCDHN CN(Cc1ccc(C(N)=O)cc1)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000029886914 453832401 /nfs/dbraw/zinc/83/24/01/453832401.db2.gz HPZHWBCQBMIZGD-UHFFFAOYSA-N 0 3 342.439 3.126 20 10 EGCDHN COc1ccc(N2CCN(CCCCCn3cccn3)CC2)cc1F ZINC000084866842 454013818 /nfs/dbraw/zinc/01/38/18/454013818.db2.gz LZOKQGVQXSHHLO-UHFFFAOYSA-N 0 3 346.450 3.023 20 10 EGCDHN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccccc1N(C)C ZINC000093942937 454180455 /nfs/dbraw/zinc/18/04/55/454180455.db2.gz AWSHKIOQEKVOFN-QGZVFWFLSA-N 0 3 339.483 3.440 20 10 EGCDHN COc1ccc(CN(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000122577770 454549076 /nfs/dbraw/zinc/54/90/76/454549076.db2.gz BBNLDJRAEPTJQT-UHFFFAOYSA-N 0 3 326.440 3.164 20 10 EGCDHN C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(O)c1 ZINC000105461099 454639545 /nfs/dbraw/zinc/63/95/45/454639545.db2.gz GCRDMJHCAOALHA-CQSZACIVSA-N 0 3 330.403 3.219 20 10 EGCDHN CCC[N@H+](Cc1ccc(N(C)CCOC)nc1)Cc1ccccc1[O-] ZINC000191290075 455474872 /nfs/dbraw/zinc/47/48/72/455474872.db2.gz LJBKTHOHZULLBM-UHFFFAOYSA-N 0 3 343.471 3.282 20 10 EGCDHN CCC[N@@H+](Cc1ccc(N(C)CCOC)nc1)Cc1ccccc1[O-] ZINC000191290075 455474875 /nfs/dbraw/zinc/47/48/75/455474875.db2.gz LJBKTHOHZULLBM-UHFFFAOYSA-N 0 3 343.471 3.282 20 10 EGCDHN Oc1cc2c(cc1CN1CCC([C@H](O)c3ccccc3)CC1)OCO2 ZINC000126197868 454877251 /nfs/dbraw/zinc/87/72/51/454877251.db2.gz DAZXCXMVWWBBHP-HXUWFJFHSA-N 0 3 341.407 3.067 20 10 EGCDHN C[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccc(Br)cc1[O-] ZINC000184997862 455484146 /nfs/dbraw/zinc/48/41/46/455484146.db2.gz KHZAXWKJTMZWQD-NWDGAFQWSA-N 0 3 339.277 3.290 20 10 EGCDHN C[C@H]([NH2+]Cc1cccc(OCCN(C)C)c1)c1ccc(F)cc1[O-] ZINC000185056441 455493019 /nfs/dbraw/zinc/49/30/19/455493019.db2.gz DOFGGIIUTNYLCR-AWEZNQCLSA-N 0 3 332.419 3.323 20 10 EGCDHN C[C@@H](N[C@@H](C)C(=O)NCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000177943196 454921369 /nfs/dbraw/zinc/92/13/69/454921369.db2.gz BHIDODJTUNQGHU-CVEARBPZSA-N 0 3 325.456 3.108 20 10 EGCDHN C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)NCc1ccccc1 ZINC000177943219 454922204 /nfs/dbraw/zinc/92/22/04/454922204.db2.gz BHIDODJTUNQGHU-HZPDHXFCSA-N 0 3 325.456 3.108 20 10 EGCDHN COc1ccc(O)c(CNCc2ccc(OC(F)F)c(F)c2)c1 ZINC000168329103 454925955 /nfs/dbraw/zinc/92/59/55/454925955.db2.gz KSZGRWIZAVPMNT-UHFFFAOYSA-N 0 3 327.302 3.431 20 10 EGCDHN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(N(C)C)cc1 ZINC000151060683 454931264 /nfs/dbraw/zinc/93/12/64/454931264.db2.gz PUFRUERSIZONGF-QGZVFWFLSA-N 0 3 339.483 3.440 20 10 EGCDHN CSc1nnc(CCC[NH2+]Cc2cc(C)ccc2[O-])n1CC(C)C ZINC000114216108 454948151 /nfs/dbraw/zinc/94/81/51/454948151.db2.gz FIDZVFPYMHGLST-UHFFFAOYSA-N 0 3 348.516 3.392 20 10 EGCDHN CC[C@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1ccccc1[O-] ZINC000155200587 454973749 /nfs/dbraw/zinc/97/37/49/454973749.db2.gz KJIOCWLTYWXRDM-IBGZPJMESA-N 0 3 325.456 3.493 20 10 EGCDHN COc1cc(O)c(CN(C)CCOc2ccccc2F)cc1OC ZINC000179620467 455061448 /nfs/dbraw/zinc/06/14/48/455061448.db2.gz MHCHACMOFJVJDV-UHFFFAOYSA-N 0 3 335.375 3.059 20 10 EGCDHN CN(C)c1ccc(CN2CCC(NC(=O)c3ccccc3)CC2)cc1 ZINC000128508797 455063602 /nfs/dbraw/zinc/06/36/02/455063602.db2.gz WLBFPPFNBWKLNI-UHFFFAOYSA-N 0 3 337.467 3.147 20 10 EGCDHN C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1=O)c1ccccc1[O-] ZINC000179902058 455096135 /nfs/dbraw/zinc/09/61/35/455096135.db2.gz SCIBDKXRGORYKP-XJKSGUPXSA-N 0 3 328.387 3.378 20 10 EGCDHN C[N@H+](Cc1cc(F)ccc1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000179942208 455103238 /nfs/dbraw/zinc/10/32/38/455103238.db2.gz ZMYMSTBULZGAGU-UHFFFAOYSA-N 0 3 338.423 3.363 20 10 EGCDHN C[N@@H+](Cc1cc(F)ccc1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000179942208 455103240 /nfs/dbraw/zinc/10/32/40/455103240.db2.gz ZMYMSTBULZGAGU-UHFFFAOYSA-N 0 3 338.423 3.363 20 10 EGCDHN CN(C)Cc1c2ccccc2oc1C(=O)N(C)Cc1ccccc1O ZINC000118775278 455111785 /nfs/dbraw/zinc/11/17/85/455111785.db2.gz VRGMFHLEKVHQQZ-UHFFFAOYSA-N 0 3 338.407 3.472 20 10 EGCDHN COc1cccc(C[NH2+]C[C@@H](c2ccccc2)N2CCCC2)c1[O-] ZINC000237382642 455179729 /nfs/dbraw/zinc/17/97/29/455179729.db2.gz CZSRIFTXGRGODO-SFHVURJKSA-N 0 3 326.440 3.328 20 10 EGCDHN CC[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1=O)c1ccccc1[O-] ZINC000183331721 455278692 /nfs/dbraw/zinc/27/86/92/455278692.db2.gz ZOGJTFOXGRGVSR-HOTGVXAUSA-N 0 3 328.387 3.378 20 10 EGCDHN CCOc1cccc(CN[C@@H](C[S@@](C)=O)c2ccccc2)c1O ZINC000182097549 455434758 /nfs/dbraw/zinc/43/47/58/455434758.db2.gz WZIHTYFAEKIXQI-QMHKHESXSA-N 0 3 333.453 3.000 20 10 EGCDHN Cc1ccc(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c([O-])c1O ZINC000182446026 455515200 /nfs/dbraw/zinc/51/52/00/455515200.db2.gz CVAXFLNCPIHJFH-JKSUJKDBSA-N 0 3 346.471 3.133 20 10 EGCDHN Cc1ccc(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c([O-])c1O ZINC000182446026 455515204 /nfs/dbraw/zinc/51/52/04/455515204.db2.gz CVAXFLNCPIHJFH-JKSUJKDBSA-N 0 3 346.471 3.133 20 10 EGCDHN COc1ccc([O-])c(C[NH2+]C[C@](C)(Cc2ccccc2)[C@@H](C)O)c1 ZINC000191780695 455519346 /nfs/dbraw/zinc/51/93/46/455519346.db2.gz DXIGOPQUNWVNSV-QRWLVFNGSA-N 0 3 329.440 3.120 20 10 EGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCNC(=O)c2ccccc2Cl)c1 ZINC000185446398 455559023 /nfs/dbraw/zinc/55/90/23/455559023.db2.gz AJTDHYMJCNGIHN-CYBMUJFWSA-N 0 3 332.831 3.435 20 10 EGCDHN COc1cccc(C[NH2+]CCc2cn(C)c3cc(F)ccc23)c1[O-] ZINC000185746274 455613786 /nfs/dbraw/zinc/61/37/86/455613786.db2.gz RRIDKXNUHFNSOL-UHFFFAOYSA-N 0 3 328.387 3.364 20 10 EGCDHN C[C@@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cn[nH]c1 ZINC000283943272 455614057 /nfs/dbraw/zinc/61/40/57/455614057.db2.gz FLVWOESSHOHXBI-OCCSQVGLSA-N 0 3 336.386 3.331 20 10 EGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCCO[C@H]1CCOC1 ZINC000268245774 455629917 /nfs/dbraw/zinc/62/99/17/455629917.db2.gz AVSGDAKIYFXYKK-IBGZPJMESA-N 0 3 327.424 3.344 20 10 EGCDHN CCOCc1cc(CNC[C@@H]2COC3(CCCC3)O2)ccc1OC ZINC000271430183 455633137 /nfs/dbraw/zinc/63/31/37/455633137.db2.gz NWCVWSMRZGPXOR-QGZVFWFLSA-N 0 3 335.444 3.007 20 10 EGCDHN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000292422797 455658798 /nfs/dbraw/zinc/65/87/98/455658798.db2.gz CCEJUZOTRSJCHQ-IBGZPJMESA-N 0 3 343.496 3.323 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]CCC1(O)CCC1 ZINC000284272680 455660701 /nfs/dbraw/zinc/66/07/01/455660701.db2.gz AEWCCKUXUONZSW-UHFFFAOYSA-N 0 3 327.424 3.366 20 10 EGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CC2(N3CCCCC3)CCOCC2)c1 ZINC000186019189 455676601 /nfs/dbraw/zinc/67/66/01/455676601.db2.gz SRRKCDCPGLFHKQ-KRWDZBQOSA-N 0 3 332.488 3.386 20 10 EGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCNC(=O)c2c(F)cccc2F)c1 ZINC000186024660 455678699 /nfs/dbraw/zinc/67/86/99/455678699.db2.gz GKHBVWKDMMZHEN-LBPRGKRZSA-N 0 3 334.366 3.059 20 10 EGCDHN Cc1cc([O-])c(C[NH2+]Cc2cccc(N3CCOCC3)c2)cc1C ZINC000293038432 455772722 /nfs/dbraw/zinc/77/27/22/455772722.db2.gz SATCQJYBTZNGSD-UHFFFAOYSA-N 0 3 326.440 3.135 20 10 EGCDHN Cc1cc(CN2CCCN(c3nccs3)CC2)ccc1N(C)C ZINC000293472871 455788217 /nfs/dbraw/zinc/78/82/17/455788217.db2.gz LWFMWNVEXIQADF-UHFFFAOYSA-N 0 3 330.501 3.230 20 10 EGCDHN CC[C@@H]([NH2+]Cc1cccc(N2CCOCC2)c1)c1ccccc1[O-] ZINC000293703014 455794818 /nfs/dbraw/zinc/79/48/18/455794818.db2.gz MFBRAVZUJBNSFW-LJQANCHMSA-N 0 3 326.440 3.470 20 10 EGCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(F)cc2)c([O-])c1 ZINC000293787615 455796970 /nfs/dbraw/zinc/79/69/70/455796970.db2.gz QLBBSERQZHGUPB-GDBMZVCRSA-N 0 3 333.403 3.239 20 10 EGCDHN Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccccc2CS(C)(=O)=O)c([O-])c1 ZINC000294640093 455823095 /nfs/dbraw/zinc/82/30/95/455823095.db2.gz GFJFYFLZEXCJNI-OAHLLOKOSA-N 0 3 347.480 3.404 20 10 EGCDHN CCCOc1ccc(C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c([O-])c1 ZINC000294915755 455831860 /nfs/dbraw/zinc/83/18/60/455831860.db2.gz YIVWTUFIYWPKOK-HNNXBMFYSA-N 0 3 348.487 3.295 20 10 EGCDHN CCCOc1ccc(C[N@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c([O-])c1 ZINC000294915755 455831864 /nfs/dbraw/zinc/83/18/64/455831864.db2.gz YIVWTUFIYWPKOK-HNNXBMFYSA-N 0 3 348.487 3.295 20 10 EGCDHN COc1cc(O)c(CNCc2ccnc(C(F)(F)F)c2)cc1OC ZINC000294929311 455832296 /nfs/dbraw/zinc/83/22/96/455832296.db2.gz BKUYCUDFRODRDB-UHFFFAOYSA-N 0 3 342.317 3.113 20 10 EGCDHN Cc1cc(C)c([C@@H](C)[NH2+]CC(=O)NCCc2ccccc2)c([O-])c1 ZINC000294957904 455833748 /nfs/dbraw/zinc/83/37/48/455833748.db2.gz YWKNCGAANQLLQJ-MRXNPFEDSA-N 0 3 326.440 3.019 20 10 EGCDHN Cc1cc(C)c([C@@H](C)NCC(=O)NCCc2ccccc2)c(O)c1 ZINC000294957904 455833752 /nfs/dbraw/zinc/83/37/52/455833752.db2.gz YWKNCGAANQLLQJ-MRXNPFEDSA-N 0 3 326.440 3.019 20 10 EGCDHN COC[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])[C@@H]1CCCO1 ZINC000278548545 455840556 /nfs/dbraw/zinc/84/05/56/455840556.db2.gz BFMWBZVRBPXJMV-QUCCMNQESA-N 0 3 327.424 3.343 20 10 EGCDHN C[C@@H]1CN(c2ccc(CNC[C@H]3CCC=CO3)cc2F)C[C@H](C)O1 ZINC000278844618 455850551 /nfs/dbraw/zinc/85/05/51/455850551.db2.gz KHRSSBVQQYAGQI-HLLBOEOZSA-N 0 3 334.435 3.222 20 10 EGCDHN CCOc1cccc(C[NH+]2CCC(c3ccnn3CC)CC2)c1[O-] ZINC000279518869 455867114 /nfs/dbraw/zinc/86/71/14/455867114.db2.gz YFRGWJJLMFDTNM-UHFFFAOYSA-N 0 3 329.444 3.387 20 10 EGCDHN O=C1CCCN1Cc1ccccc1C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296080933 455868807 /nfs/dbraw/zinc/86/88/07/455868807.db2.gz SNWXZBVTFOVURU-SFHVURJKSA-N 0 3 336.435 3.292 20 10 EGCDHN C[C@@H]1OCC[C@]12C[N@H+](Cc1cc(-c3ccccc3)ccc1[O-])CCO2 ZINC000279704477 455871233 /nfs/dbraw/zinc/87/12/33/455871233.db2.gz RPZNCTYCFWLTQS-KKSFZXQISA-N 0 3 339.435 3.439 20 10 EGCDHN C[C@@H]1OCC[C@]12C[N@@H+](Cc1cc(-c3ccccc3)ccc1[O-])CCO2 ZINC000279704477 455871237 /nfs/dbraw/zinc/87/12/37/455871237.db2.gz RPZNCTYCFWLTQS-KKSFZXQISA-N 0 3 339.435 3.439 20 10 EGCDHN CC[C@@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(C)cc1[O-] ZINC000280278225 455934845 /nfs/dbraw/zinc/93/48/45/455934845.db2.gz YKIBCLDBKLKZFJ-ZIAGYGMSSA-N 0 3 344.377 3.295 20 10 EGCDHN CN(Cc1cccs1)c1ccc(CN[C@H]2CCCCNC2=O)cc1 ZINC000296561808 455974861 /nfs/dbraw/zinc/97/48/61/455974861.db2.gz VFQOWOCRSATVFS-SFHVURJKSA-N 0 3 343.496 3.143 20 10 EGCDHN Cc1cccc(C[NH2+]CCCOCCOCc2ccccc2)c1[O-] ZINC000272585843 456003957 /nfs/dbraw/zinc/00/39/57/456003957.db2.gz ZCMOFBQIPMVNPV-UHFFFAOYSA-N 0 3 329.440 3.414 20 10 EGCDHN Cn1c2cccc(F)c2nc1CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296746388 456028447 /nfs/dbraw/zinc/02/84/47/456028447.db2.gz JOEYYCPYOOGXDI-CQSZACIVSA-N 0 3 325.387 3.238 20 10 EGCDHN CC[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc(Cl)c1[O-] ZINC000287174956 456062678 /nfs/dbraw/zinc/06/26/78/456062678.db2.gz UTZSDHJRTRZQNN-MRXNPFEDSA-N 0 3 339.911 3.112 20 10 EGCDHN COC(=O)C1(C[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000188669782 456109621 /nfs/dbraw/zinc/10/96/21/456109621.db2.gz LWSKXXSYWZIKRK-UHFFFAOYSA-N 0 3 341.407 3.014 20 10 EGCDHN C[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])[C@@H]1CCOC1 ZINC000281096628 456132264 /nfs/dbraw/zinc/13/22/64/456132264.db2.gz ADGRZWRAVNDILI-CRAIPNDOSA-N 0 3 327.424 3.486 20 10 EGCDHN C[C@@H]([NH2+]Cc1ccnc(OC2CCOCC2)c1)c1cc(F)ccc1[O-] ZINC000273363308 456225572 /nfs/dbraw/zinc/22/55/72/456225572.db2.gz AVJLNUCOIDPZGY-CYBMUJFWSA-N 0 3 346.402 3.335 20 10 EGCDHN COc1ccc(OC)c([C@H](O)C[NH2+][C@H](C)c2ccc(C)c(C)c2[O-])c1 ZINC000273405990 456229133 /nfs/dbraw/zinc/22/91/33/456229133.db2.gz OMZAKWPZULYBFJ-RDTXWAMCSA-N 0 3 345.439 3.410 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+][C@H](CO)C[C@H](O)c2ccccc2)c([O-])c1C ZINC000273447854 456231888 /nfs/dbraw/zinc/23/18/88/456231888.db2.gz FNQMBDMBJPZNPJ-IEZWGBDMSA-N 0 3 329.440 3.144 20 10 EGCDHN C[C@H]([NH2+]Cc1cc(F)ccc1N1CCOCC1)c1cc(F)ccc1[O-] ZINC000273465995 456232767 /nfs/dbraw/zinc/23/27/67/456232767.db2.gz DRHRHGPUKRSPTC-ZDUSSCGKSA-N 0 3 348.393 3.358 20 10 EGCDHN CCCCN1CCC([NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])CC1 ZINC000273594161 456240482 /nfs/dbraw/zinc/24/04/82/456240482.db2.gz QBIPYVDTYPDZGS-CQSZACIVSA-N 0 3 334.460 3.094 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+]2CCCC3(CCOCC3)C2)c1[O-] ZINC000273689787 456243351 /nfs/dbraw/zinc/24/33/51/456243351.db2.gz BCUKKCLHLODSFO-UHFFFAOYSA-N 0 3 325.836 3.447 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+]2CCCC3(CCOCC3)C2)c1[O-] ZINC000273689787 456243355 /nfs/dbraw/zinc/24/33/55/456243355.db2.gz BCUKKCLHLODSFO-UHFFFAOYSA-N 0 3 325.836 3.447 20 10 EGCDHN CCOc1ccc(O)c(CN[C@@H]2CCCN(C3CCCCC3)C2=O)c1 ZINC000276186850 456408388 /nfs/dbraw/zinc/40/83/88/456408388.db2.gz LCTVIYBFCWLFAB-GOSISDBHSA-N 0 3 346.471 3.204 20 10 EGCDHN C[C@H]1CN(c2ccccc2CNCc2ccc(N(C)C)cc2)CCO1 ZINC000298399530 456445363 /nfs/dbraw/zinc/44/53/63/456445363.db2.gz LSQYXLYCOZESRM-KRWDZBQOSA-N 0 3 339.483 3.268 20 10 EGCDHN O=C1CCCN1[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000276786760 456579343 /nfs/dbraw/zinc/57/93/43/456579343.db2.gz KKUPMAPFPHHYPB-IBGZPJMESA-N 0 3 336.435 3.256 20 10 EGCDHN O=C1CCCN1[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000276786760 456579351 /nfs/dbraw/zinc/57/93/51/456579351.db2.gz KKUPMAPFPHHYPB-IBGZPJMESA-N 0 3 336.435 3.256 20 10 EGCDHN Oc1ccc2c(c1)[C@H](NCc1ccc(N3CCOCC3)cc1)CCC2 ZINC000291353094 456615703 /nfs/dbraw/zinc/61/57/03/456615703.db2.gz XMPMZBZBIMXTRU-OAQYLSRUSA-N 0 3 338.451 3.396 20 10 EGCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)c1 ZINC000283057820 456701244 /nfs/dbraw/zinc/70/12/44/456701244.db2.gz SVNJJOGSKDWBCN-QGZVFWFLSA-N 0 3 325.412 3.097 20 10 EGCDHN CC[C@H](N[C@H]1CCCc2c1cnn2CCO)c1ccc(N(C)C)cc1 ZINC000368564786 458045555 /nfs/dbraw/zinc/04/55/55/458045555.db2.gz VSMYVYCEAAXKMB-OALUTQOASA-N 0 3 342.487 3.060 20 10 EGCDHN COc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H](O)c2ccccc2)c1[O-] ZINC000362388943 458146750 /nfs/dbraw/zinc/14/67/50/458146750.db2.gz JMBKYZBMDYTTJI-MJGOQNOKSA-N 0 3 327.424 3.489 20 10 EGCDHN COc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H](O)c2ccccc2)c1[O-] ZINC000362388943 458146756 /nfs/dbraw/zinc/14/67/56/458146756.db2.gz JMBKYZBMDYTTJI-MJGOQNOKSA-N 0 3 327.424 3.489 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)c1[O-] ZINC000373368101 458473395 /nfs/dbraw/zinc/47/33/95/458473395.db2.gz CVJYNPDGIPBSEQ-DLBZAZTESA-N 0 3 325.836 3.349 20 10 EGCDHN CCN(CCNC(=O)c1sccc1-n1c(C)ccc1C)C1CC1 ZINC000726196633 574545091 /nfs/dbraw/zinc/54/50/91/574545091.db2.gz UXSMBYIJRIUDTO-UHFFFAOYSA-N 0 3 331.485 3.370 20 10 EGCDHN O=c1cc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)nc2ccccn12 ZINC000731846107 575211897 /nfs/dbraw/zinc/21/18/97/575211897.db2.gz RUNULKIALNGAED-UHFFFAOYSA-N 0 3 349.434 3.345 20 10 EGCDHN O=c1cc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)nc2ccccn12 ZINC000731846107 575211899 /nfs/dbraw/zinc/21/18/99/575211899.db2.gz RUNULKIALNGAED-UHFFFAOYSA-N 0 3 349.434 3.345 20 10 EGCDHN C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000732283712 575254696 /nfs/dbraw/zinc/25/46/96/575254696.db2.gz BXZFOWISCBAJDU-UHFFFAOYSA-N 0 3 344.480 3.438 20 10 EGCDHN C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000732283712 575254701 /nfs/dbraw/zinc/25/47/01/575254701.db2.gz BXZFOWISCBAJDU-UHFFFAOYSA-N 0 3 344.480 3.438 20 10 EGCDHN Cc1ccc(C)n1-c1ccsc1C(=O)NCCN1CC[C@@H](C)C1 ZINC000744800373 576834668 /nfs/dbraw/zinc/83/46/68/576834668.db2.gz VTLFYAGTGLIMIK-CYBMUJFWSA-N 0 3 331.485 3.227 20 10 EGCDHN CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(Br)cc1[O-] ZINC000691681878 1298135684 /nfs/dbraw/zinc/13/56/84/1298135684.db2.gz ZEABLWBYLOLMGP-CABCVRRESA-N 0 3 339.277 3.213 20 10 EGCDHN CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(Br)cc1[O-] ZINC000691681878 1298135688 /nfs/dbraw/zinc/13/56/88/1298135688.db2.gz ZEABLWBYLOLMGP-CABCVRRESA-N 0 3 339.277 3.213 20 10 EGCDHN CCOCc1cc(CNCc2ccc([S@@](C)=O)cc2)ccc1OC ZINC000751154581 1299517416 /nfs/dbraw/zinc/51/74/16/1299517416.db2.gz YFWIACQTZPWIPU-XMMPIXPASA-N 0 3 347.480 3.259 20 10 EGCDHN CC[C@@H]([NH2+]C[C@H](O)COc1cccc(F)c1)c1ccc(C)cc1[O-] ZINC000794805312 1309598917 /nfs/dbraw/zinc/59/89/17/1309598917.db2.gz WWNICRSGMBCEPO-MAUKXSAKSA-N 0 3 333.403 3.320 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]C[C@H](O)[C@H](C)c2ccccc2)c1[O-] ZINC000827734493 1292363098 /nfs/dbraw/zinc/36/30/98/1292363098.db2.gz YOXVXCWJJMFGGE-WBMJQRKESA-N 0 3 335.831 3.308 20 10 EGCDHN Cc1cc(CN(C)CCN2CCCC2=O)ccc1N1CCCCC1 ZINC000827813209 1292380850 /nfs/dbraw/zinc/38/08/50/1292380850.db2.gz OIVHJWVAMDTPJT-UHFFFAOYSA-N 0 3 329.488 3.040 20 10 EGCDHN Cc1cccc(CC[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)n1 ZINC000828062166 1292425344 /nfs/dbraw/zinc/42/53/44/1292425344.db2.gz COUSZEIACVWVRW-IBGZPJMESA-N 0 3 326.440 3.319 20 10 EGCDHN Cc1cccc(CC[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)n1 ZINC000828062166 1292425346 /nfs/dbraw/zinc/42/53/46/1292425346.db2.gz COUSZEIACVWVRW-IBGZPJMESA-N 0 3 326.440 3.319 20 10 EGCDHN Nc1ccc(CC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000831827292 1292923307 /nfs/dbraw/zinc/92/33/07/1292923307.db2.gz LBCINARDBBKWKW-FQEVSTJZSA-N 0 3 337.467 3.155 20 10 EGCDHN CC[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ccc(C)cc1 ZINC000102684581 1292980794 /nfs/dbraw/zinc/98/07/94/1292980794.db2.gz LWUOZZCPUYDVQK-FQEVSTJZSA-N 0 3 339.483 3.418 20 10 EGCDHN CC[C@H](C(=O)Nc1ccc(OC)cc1)N(C)Cc1ccccc1O ZINC000111235477 1293102169 /nfs/dbraw/zinc/10/21/69/1293102169.db2.gz UEZPHSFNKBBMJW-QGZVFWFLSA-N 0 3 328.412 3.250 20 10 EGCDHN C[C@@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)N1CCc2sccc2C1 ZINC000834537753 1293113802 /nfs/dbraw/zinc/11/38/02/1293113802.db2.gz JEDPSONVXJGSIV-XJKSGUPXSA-N 0 3 328.481 3.477 20 10 EGCDHN O=C1[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCCN1Cc1ccccc1 ZINC000834692440 1293133091 /nfs/dbraw/zinc/13/30/91/1293133091.db2.gz BIBGNEWJZFZMBY-ROUUACIJSA-N 0 3 336.435 3.160 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](O)C2CCC2)c1[O-] ZINC000834904749 1293171127 /nfs/dbraw/zinc/17/11/27/1293171127.db2.gz CDOYUKNOJDVMND-IINYFYTJSA-N 0 3 328.250 3.275 20 10 EGCDHN CCO[C@@H]1COC[C@H]1N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000834903305 1293171351 /nfs/dbraw/zinc/17/13/51/1293171351.db2.gz HIBVSUYSRCKDPL-POZUXBRTSA-N 0 3 336.451 3.271 20 10 EGCDHN CCN(CC)c1ccc(CN[C@@H](C)C(=O)Nc2cccnc2C)cc1 ZINC000835071685 1293199666 /nfs/dbraw/zinc/19/96/66/1293199666.db2.gz SIOOGNVCNYGWLN-INIZCTEOSA-N 0 3 340.471 3.353 20 10 EGCDHN CC[C@@H]([NH2+]C[C@@H](O)c1cc(OC)ccc1OC)c1ccccc1[O-] ZINC000121082442 1293354219 /nfs/dbraw/zinc/35/42/19/1293354219.db2.gz VDCSZVCQTNVEDM-SJLPKXTDSA-N 0 3 331.412 3.184 20 10 EGCDHN CC(C)(C)c1cc(O)c(O)c(CN2CCS[C@H]3COCC[C@@H]32)c1 ZINC000131072961 1293678424 /nfs/dbraw/zinc/67/84/24/1293678424.db2.gz KJAOYSNDUKCBRU-HOCLYGCPSA-N 0 3 337.485 3.102 20 10 EGCDHN CN(C)c1ccc(CNC(C)(C)C(=O)NCC2CCCC2)cc1F ZINC000136043519 1293807340 /nfs/dbraw/zinc/80/73/40/1293807340.db2.gz OVPIVCAJSILBSE-UHFFFAOYSA-N 0 3 335.467 3.066 20 10 EGCDHN CCOc1ccc(O)c(CN2CCN(c3cccc(OC)c3)CC2)c1 ZINC000160693683 1294275236 /nfs/dbraw/zinc/27/52/36/1294275236.db2.gz RWXWXRCYWSPLCB-UHFFFAOYSA-N 0 3 342.439 3.122 20 10 EGCDHN CCn1cc([C@@H](C)NCc2ccc(N3CCSCC3)cc2)cn1 ZINC000163577053 1294335353 /nfs/dbraw/zinc/33/53/53/1294335353.db2.gz WJLQFGLAEULZMK-OAHLLOKOSA-N 0 3 330.501 3.307 20 10 EGCDHN Cc1cc(C)c(O)c(CN2CCCN(C(=O)c3ccsc3)CC2)c1 ZINC000164193369 1294345883 /nfs/dbraw/zinc/34/58/83/1294345883.db2.gz ZHYUOJPIGMWDIZ-UHFFFAOYSA-N 0 3 344.480 3.419 20 10 EGCDHN Cc1ccc(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)c([O-])c1O ZINC000179451473 1294795731 /nfs/dbraw/zinc/79/57/31/1294795731.db2.gz LTKBREWKBSZKSH-UHFFFAOYSA-N 0 3 340.423 3.297 20 10 EGCDHN CCc1ccccc1NC(=O)CN[C@H](C)c1cc(OC)ccc1O ZINC000182359682 1295039311 /nfs/dbraw/zinc/03/93/11/1295039311.db2.gz BUBWLVLFRORSBQ-CYBMUJFWSA-N 0 3 328.412 3.253 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2ccc(C)c(C)c2)c1 ZINC000182372521 1295041024 /nfs/dbraw/zinc/04/10/24/1295041024.db2.gz LIDWMXJYTGOILS-AWEZNQCLSA-N 0 3 328.412 3.307 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCC(=O)NCCC2=CCCCC2)c1 ZINC000182426423 1295045277 /nfs/dbraw/zinc/04/52/77/1295045277.db2.gz VGFZPWCCSMBCES-AWEZNQCLSA-N 0 3 332.444 3.058 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCC(=O)N(C)C2CCC(C)CC2)c1 ZINC000182458450 1295048817 /nfs/dbraw/zinc/04/88/17/1295048817.db2.gz VTJAAHKLYXLAFL-SLTAFYQDSA-N 0 3 334.460 3.089 20 10 EGCDHN C[C@H]([NH2+]C[C@@H](c1cccc(F)c1)N1CCOCC1)c1ccccc1[O-] ZINC000183453745 1295120095 /nfs/dbraw/zinc/12/00/95/1295120095.db2.gz AAEPAIUYQKOACG-KXBFYZLASA-N 0 3 344.430 3.255 20 10 EGCDHN C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+][C@H](C)c1ccccc1[O-] ZINC000183529313 1295128452 /nfs/dbraw/zinc/12/84/52/1295128452.db2.gz HVMZFINLKUAYAJ-QZTJIDSGSA-N 0 3 339.483 3.254 20 10 EGCDHN CN(C)[C@H]1Cc2ccccc2N(C(=O)/C=C\c2ccc(Cl)nc2)C1 ZINC000255884052 1296575454 /nfs/dbraw/zinc/57/54/54/1296575454.db2.gz BJISIHASYODDMO-YHWKNFMLSA-N 0 3 341.842 3.268 20 10 EGCDHN Cc1ccc(C[NH2+]C[C@@H](c2cccc(F)c2)N2CCOCC2)c([O-])c1 ZINC000876990559 1299103484 /nfs/dbraw/zinc/10/34/84/1299103484.db2.gz HRCAHFOSQQYBEP-IBGZPJMESA-N 0 3 344.430 3.003 20 10 EGCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000876992073 1299104100 /nfs/dbraw/zinc/10/41/00/1299104100.db2.gz YUTSJKJQSWZRRG-MRXNPFEDSA-N 0 3 341.329 3.422 20 10 EGCDHN COc1ccc(CC[NH2+]Cc2ccc(C)cc2[O-])c(OC)c1OC ZINC000877004656 1299110098 /nfs/dbraw/zinc/11/00/98/1299110098.db2.gz LQZBAAWVWCZUQI-UHFFFAOYSA-N 0 3 331.412 3.059 20 10 EGCDHN COc1ccc(Cl)cc1NC(=O)CC[NH2+]Cc1ccc(C)cc1[O-] ZINC000877082591 1299150345 /nfs/dbraw/zinc/15/03/45/1299150345.db2.gz YTBJAEASQAPFES-UHFFFAOYSA-N 0 3 348.830 3.481 20 10 EGCDHN Cc1ccc(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)c([O-])c1 ZINC000877403507 1299281298 /nfs/dbraw/zinc/28/12/98/1299281298.db2.gz RDDQWLZUOINIAC-UHFFFAOYSA-N 0 3 329.415 3.409 20 10 EGCDHN Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)Cc3ccccc3)C2)c([O-])c1 ZINC000877503481 1299352399 /nfs/dbraw/zinc/35/23/99/1299352399.db2.gz NLJUBRMTPBKLAA-LJQANCHMSA-N 0 3 338.451 3.024 20 10 EGCDHN Cc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCNC3=O)cc2)c([O-])c1 ZINC000877605535 1299427222 /nfs/dbraw/zinc/42/72/22/1299427222.db2.gz UBAMEUANFIOKSX-AWEZNQCLSA-N 0 3 325.412 3.081 20 10 EGCDHN C[C@H]1C[C@H](CCNC(=O)c2cc([O-])cs2)C[N@@H+]1Cc1ccccc1 ZINC000753831634 1300027670 /nfs/dbraw/zinc/02/76/70/1300027670.db2.gz VWYFKCSTXZKROY-HOCLYGCPSA-N 0 3 344.480 3.484 20 10 EGCDHN C[C@H]1C[C@H](CCNC(=O)c2cc([O-])cs2)C[N@H+]1Cc1ccccc1 ZINC000753831634 1300027673 /nfs/dbraw/zinc/02/76/73/1300027673.db2.gz VWYFKCSTXZKROY-HOCLYGCPSA-N 0 3 344.480 3.484 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+]Cc2ccc(NC(N)=O)cc2)c2c1c(F)ccc2[O-] ZINC000756393729 1300483262 /nfs/dbraw/zinc/48/32/62/1300483262.db2.gz UGRRJOVDSTYEOC-YGRLFVJLSA-N 0 3 329.375 3.360 20 10 EGCDHN C[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)C(=O)NCc1ccccc1 ZINC000756482355 1300503850 /nfs/dbraw/zinc/50/38/50/1300503850.db2.gz JKRXOGRTXXJWKV-WWGRRREGSA-N 0 3 342.414 3.374 20 10 EGCDHN COCCCN1CCC([NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)CC1 ZINC000756527975 1300515018 /nfs/dbraw/zinc/51/50/18/1300515018.db2.gz LMLXRSHVTUFOGO-CJNGLKHVSA-N 0 3 336.451 3.170 20 10 EGCDHN CNC(=O)c1cccc(CC[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)c1 ZINC000756604126 1300529097 /nfs/dbraw/zinc/52/90/97/1300529097.db2.gz LRHABCKJLYBDOJ-WBMJQRKESA-N 0 3 342.414 3.272 20 10 EGCDHN C[C@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)c1ccc(Br)cc1[O-] ZINC000756616485 1300532066 /nfs/dbraw/zinc/53/20/66/1300532066.db2.gz ZOCXKOGUYJWBQZ-MDZLAQPJSA-N 0 3 327.266 3.288 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+]CC(=O)N(C)C2CCCCC2)c2c1c(F)ccc2[O-] ZINC000756635822 1300537687 /nfs/dbraw/zinc/53/76/87/1300537687.db2.gz AWJINWYCKRYEGE-DOMZBBRYSA-N 0 3 334.435 3.460 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCOC3(CCOCC3)C2)c2c1c(F)ccc2[O-] ZINC000756766587 1300562741 /nfs/dbraw/zinc/56/27/41/1300562741.db2.gz XEAJUJRPGXHRNY-IPYPFGDCSA-N 0 3 335.419 3.397 20 10 EGCDHN Cc1ccccc1C[C@@H](C)NC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648698 1300649496 /nfs/dbraw/zinc/64/94/96/1300649496.db2.gz ZPDHNROSNLISMU-HZPDHXFCSA-N 0 3 326.440 3.099 20 10 EGCDHN C[C@@H]([NH2+][C@@H](C)C(=O)NC[C@@H](C)c1ccccc1)c1ccccc1[O-] ZINC000879648748 1300650026 /nfs/dbraw/zinc/65/00/26/1300650026.db2.gz CDHUZTYJTCEWIO-OAGGEKHMSA-N 0 3 326.440 3.351 20 10 EGCDHN CCOc1ccc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)c([O-])c1 ZINC000758521322 1300902010 /nfs/dbraw/zinc/90/20/10/1300902010.db2.gz CMVQNKMKUYFCOQ-QUCCMNQESA-N 0 3 345.414 3.186 20 10 EGCDHN C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1)c1ccccc1[O-] ZINC000760031359 1301211361 /nfs/dbraw/zinc/21/13/61/1301211361.db2.gz UYSMJAORUGGKQY-NSHDSACASA-N 0 3 339.844 3.300 20 10 EGCDHN CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)[C@]12CCCO2 ZINC000760881574 1301357556 /nfs/dbraw/zinc/35/75/56/1301357556.db2.gz QEAJYPYQQMIJBQ-LNEKFLOWSA-N 0 3 335.419 3.396 20 10 EGCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1CSCCN1Cc1ccccc1 ZINC000763392764 1301892307 /nfs/dbraw/zinc/89/23/07/1301892307.db2.gz RWJHFYPMABOBSW-GOSISDBHSA-N 0 3 346.471 3.239 20 10 EGCDHN CCOc1ccc(CN[C@H](C[S@](C)=O)c2ccccc2)c(O)c1 ZINC000765639729 1302293657 /nfs/dbraw/zinc/29/36/57/1302293657.db2.gz VKAHPGDXNFOXDK-HXOBKFHXSA-N 0 3 333.453 3.000 20 10 EGCDHN CCOc1cccc(CN[C@H]2CCOc3ccc(OC)cc32)c1O ZINC000767189565 1302601259 /nfs/dbraw/zinc/60/12/59/1302601259.db2.gz QBEOMNYELUHKFB-INIZCTEOSA-N 0 3 329.396 3.413 20 10 EGCDHN COc1cc(CN2CCC([C@](C)(O)C(F)(F)F)CC2)c(O)cc1C ZINC000767505111 1302695727 /nfs/dbraw/zinc/69/57/27/1302695727.db2.gz LUVJLDZUOBIAJA-INIZCTEOSA-N 0 3 347.377 3.235 20 10 EGCDHN CCN(Cc1c(O)cccc1OC)C[C@@H]1COc2ccccc2O1 ZINC000768180751 1302847785 /nfs/dbraw/zinc/84/77/85/1302847785.db2.gz OVIDQVUOJZALRO-CQSZACIVSA-N 0 3 329.396 3.063 20 10 EGCDHN CCN1C[C@H](CN(C)Cc2c(O)cccc2OC)Oc2ccccc21 ZINC000768214092 1302856449 /nfs/dbraw/zinc/85/64/49/1302856449.db2.gz ZOPVDCMWSPRBBK-HNNXBMFYSA-N 0 3 342.439 3.120 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+](CCc1ccccc1)C1CC1)[C@H](O)CO2 ZINC000768438947 1302900599 /nfs/dbraw/zinc/90/05/99/1302900599.db2.gz BXDWSZYNTAXURX-LJQANCHMSA-N 0 3 325.408 3.025 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+](CCc1ccccc1)C1CC1)[C@H](O)CO2 ZINC000768438947 1302900607 /nfs/dbraw/zinc/90/06/07/1302900607.db2.gz BXDWSZYNTAXURX-LJQANCHMSA-N 0 3 325.408 3.025 20 10 EGCDHN C[N@H+](CCc1ccc(Cl)cc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768447713 1302907500 /nfs/dbraw/zinc/90/75/00/1302907500.db2.gz PBNUZENHWHSNRI-KRWDZBQOSA-N 0 3 333.815 3.146 20 10 EGCDHN C[N@@H+](CCc1ccc(Cl)cc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768447713 1302907507 /nfs/dbraw/zinc/90/75/07/1302907507.db2.gz PBNUZENHWHSNRI-KRWDZBQOSA-N 0 3 333.815 3.146 20 10 EGCDHN C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768467073 1302913408 /nfs/dbraw/zinc/91/34/08/1302913408.db2.gz XADVVQZTTBZAMB-KKVAFCGZSA-N 0 3 339.435 3.271 20 10 EGCDHN C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768467073 1302913415 /nfs/dbraw/zinc/91/34/15/1302913415.db2.gz XADVVQZTTBZAMB-KKVAFCGZSA-N 0 3 339.435 3.271 20 10 EGCDHN C[C@@H](CNC(=O)OC(C)(C)C)N(C)Cc1ccc(N(C)C)c(F)c1 ZINC000769402160 1303107006 /nfs/dbraw/zinc/10/70/06/1303107006.db2.gz WBFQYNGRKNVMCF-ZDUSSCGKSA-N 0 3 339.455 3.237 20 10 EGCDHN COc1cccc([O-])c1C[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000769507971 1303130900 /nfs/dbraw/zinc/13/09/00/1303130900.db2.gz BAHYDIFVJDRCNO-UHFFFAOYSA-N 0 3 325.408 3.422 20 10 EGCDHN CCOc1cccc(CNC2(c3ccc4c(c3)OCO4)CC2)c1O ZINC000769934912 1303195974 /nfs/dbraw/zinc/19/59/74/1303195974.db2.gz ZKOUKQHFAHFUMI-UHFFFAOYSA-N 0 3 327.380 3.299 20 10 EGCDHN COc1cc(Br)cc(C[NH2+]C[C@H]2CCO[C@H](C)C2)c1[O-] ZINC000770745937 1303313394 /nfs/dbraw/zinc/31/33/94/1303313394.db2.gz JYJVJDSRNBJNKS-MNOVXSKESA-N 0 3 344.249 3.068 20 10 EGCDHN CC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000771938526 1303464728 /nfs/dbraw/zinc/46/47/28/1303464728.db2.gz NSEYSZFYVDGCSP-KRWDZBQOSA-N 0 3 338.451 3.407 20 10 EGCDHN CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000771938526 1303464732 /nfs/dbraw/zinc/46/47/32/1303464732.db2.gz NSEYSZFYVDGCSP-KRWDZBQOSA-N 0 3 338.451 3.407 20 10 EGCDHN C[C@H](NCc1ccc(-n2cncn2)c(F)c1)c1ccc(N(C)C)cc1 ZINC000775365837 1303947628 /nfs/dbraw/zinc/94/76/28/1303947628.db2.gz XYHQOFXBGIPHHG-AWEZNQCLSA-N 0 3 339.418 3.323 20 10 EGCDHN CC[C@H]([NH2+]C[C@@H](O)COc1c(C)cccc1C)c1ccccc1[O-] ZINC000775414263 1303960541 /nfs/dbraw/zinc/96/05/41/1303960541.db2.gz GYNZDQXGEIROQL-AEFFLSMTSA-N 0 3 329.440 3.490 20 10 EGCDHN C[C@@H](N[C@@H](C)C(=O)NCC1CCCCC1)c1ccc(N(C)C)cc1 ZINC000775831121 1304045610 /nfs/dbraw/zinc/04/56/10/1304045610.db2.gz PVQARQNKRXKPMC-CVEARBPZSA-N 0 3 331.504 3.488 20 10 EGCDHN CCc1ccc(CNC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000775834941 1304046393 /nfs/dbraw/zinc/04/63/93/1304046393.db2.gz WKYZWQAYXGHBIL-CQSZACIVSA-N 0 3 345.512 3.344 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@](C)(O)C2CC2)c1[O-] ZINC000779023285 1304519729 /nfs/dbraw/zinc/51/97/29/1304519729.db2.gz BNVQPIMHIMXZAA-MEBBXXQBSA-N 0 3 328.250 3.275 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+][C@@H](C)[C@@H]2CCCOC2)c1[O-] ZINC000780780497 1304737946 /nfs/dbraw/zinc/73/79/46/1304737946.db2.gz XEVVUTGTEDXXCQ-NWDGAFQWSA-N 0 3 328.250 3.368 20 10 EGCDHN C[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccsc1 ZINC000891254134 1305001522 /nfs/dbraw/zinc/00/15/22/1305001522.db2.gz VWHHXTKZXHTCQF-RDTXWAMCSA-N 0 3 345.512 3.337 20 10 EGCDHN Cc1ccc([C@H](CN2CCOCC2)[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000783493124 1305099011 /nfs/dbraw/zinc/09/90/11/1305099011.db2.gz DPHFTECKOXGUPM-XLIONFOSSA-N 0 3 340.467 3.425 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)c1[O-] ZINC000785987225 1305486244 /nfs/dbraw/zinc/48/62/44/1305486244.db2.gz GQBVUPCUTZXUSC-WBIUFABUSA-N 0 3 342.277 3.444 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)c1[O-] ZINC000785987225 1305486250 /nfs/dbraw/zinc/48/62/50/1305486250.db2.gz GQBVUPCUTZXUSC-WBIUFABUSA-N 0 3 342.277 3.444 20 10 EGCDHN COc1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c(O)c1OC ZINC000892622203 1305475928 /nfs/dbraw/zinc/47/59/28/1305475928.db2.gz OHKYHMZYRQERMM-NSHDSACASA-N 0 3 332.356 3.168 20 10 EGCDHN COc1cc(C)cc(CN[C@@H](CC(=O)N(C)C)c2ccccc2)c1O ZINC000894207172 1306276250 /nfs/dbraw/zinc/27/62/50/1306276250.db2.gz RMJYQDSOJCWRMJ-KRWDZBQOSA-N 0 3 342.439 3.018 20 10 EGCDHN CC[N@H+](CCC1CCN(C(=O)c2cccc(O)c2[O-])CC1)CC(C)C ZINC000790918111 1308885251 /nfs/dbraw/zinc/88/52/51/1308885251.db2.gz NRFVAIDKQWQRMA-UHFFFAOYSA-N 0 3 348.487 3.318 20 10 EGCDHN CC[N@@H+](CCC1CCN(C(=O)c2cccc(O)c2[O-])CC1)CC(C)C ZINC000790918111 1308885257 /nfs/dbraw/zinc/88/52/57/1308885257.db2.gz NRFVAIDKQWQRMA-UHFFFAOYSA-N 0 3 348.487 3.318 20 10 EGCDHN COc1ccc(CN2CC(Cc3ccc(F)c(F)c3)C2)c(O)c1OC ZINC000894837370 1309094861 /nfs/dbraw/zinc/09/48/61/1309094861.db2.gz USUYAFHJUAYYRC-UHFFFAOYSA-N 0 3 349.377 3.362 20 10 EGCDHN CCc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1ccc(OC)cc1[O-] ZINC000793388624 1309361600 /nfs/dbraw/zinc/36/16/00/1309361600.db2.gz QLHNFMHCRKVCSQ-AWEZNQCLSA-N 0 3 342.439 3.470 20 10 EGCDHN CC[C@H]([NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccc(C)cc1[O-] ZINC000794813304 1309600791 /nfs/dbraw/zinc/60/07/91/1309600791.db2.gz CALJPXLNUBHATM-LZWOXQAQSA-N 0 3 325.474 3.097 20 10 EGCDHN CCS(=O)(=O)c1ccc(CN[C@@H](C)c2ccc(C)cc2O)s1 ZINC000794827583 1309603317 /nfs/dbraw/zinc/60/33/17/1309603317.db2.gz KZSQKJGRYDBPKK-LBPRGKRZSA-N 0 3 339.482 3.407 20 10 EGCDHN CC(=O)c1cc(F)cc(CN2CC[N@@H+](C3CCC3)C[C@H](C)C2)c1[O-] ZINC000795120774 1309673544 /nfs/dbraw/zinc/67/35/44/1309673544.db2.gz LULBUJYVMWKHRT-CYBMUJFWSA-N 0 3 334.435 3.040 20 10 EGCDHN CC(=O)c1cc(F)cc(CN2CC[N@H+](C3CCC3)C[C@H](C)C2)c1[O-] ZINC000795120774 1309673555 /nfs/dbraw/zinc/67/35/55/1309673555.db2.gz LULBUJYVMWKHRT-CYBMUJFWSA-N 0 3 334.435 3.040 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](CO)CC2CCCC2)c1[O-] ZINC000798960639 1310465023 /nfs/dbraw/zinc/46/50/23/1310465023.db2.gz LVVOWSNBMGVXRR-ZDUSSCGKSA-N 0 3 327.852 3.333 20 10 EGCDHN COc1cc(Br)cc(C[N@H+](C)CCCSC)c1[O-] ZINC000798964655 1310465361 /nfs/dbraw/zinc/46/53/61/1310465361.db2.gz OOWGBYPDUNLWEQ-UHFFFAOYSA-N 0 3 334.279 3.348 20 10 EGCDHN COc1cc(Br)cc(C[N@@H+](C)CCCSC)c1[O-] ZINC000798964655 1310465365 /nfs/dbraw/zinc/46/53/65/1310465365.db2.gz OOWGBYPDUNLWEQ-UHFFFAOYSA-N 0 3 334.279 3.348 20 10 EGCDHN CN(C)c1ccc([C@@H](CNCc2nc(Cl)cs2)N(C)C)cc1 ZINC000898449294 1310740945 /nfs/dbraw/zinc/74/09/45/1310740945.db2.gz AODBDWUOVHXISV-CQSZACIVSA-N 0 3 338.908 3.255 20 10 EGCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COc1ccccc1 ZINC000801595872 1310971214 /nfs/dbraw/zinc/97/12/14/1310971214.db2.gz UWMAEJCFPIVCAD-GOSISDBHSA-N 0 3 329.440 3.434 20 10 EGCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)COc1ccccc1 ZINC000801595872 1310971220 /nfs/dbraw/zinc/97/12/20/1310971220.db2.gz UWMAEJCFPIVCAD-GOSISDBHSA-N 0 3 329.440 3.434 20 10 EGCDHN CO[C@@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000824815186 1320287317 /nfs/dbraw/zinc/28/73/17/1320287317.db2.gz JJPQIBGJLZCLGP-HNAYVOBHSA-N 0 3 347.459 3.442 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCCC[C@H]2O)c1[O-] ZINC000825062137 1320307527 /nfs/dbraw/zinc/30/75/27/1320307527.db2.gz PYAQMWDUVCZTRE-SMDDNHRTSA-N 0 3 328.250 3.104 20 10 EGCDHN C[C@H](c1ccccc1)[C@@H](CO)NCc1cc(F)c(N(C)C)cc1F ZINC000858139418 1328693703 /nfs/dbraw/zinc/69/37/03/1328693703.db2.gz UHCIRDFHTDQFAS-FZKQIMNGSA-N 0 3 334.410 3.285 20 10 EGCDHN Cc1cc([C@](C)(O)CNCc2cc(F)c(N(C)C)cc2F)c(C)o1 ZINC000858144562 1328694993 /nfs/dbraw/zinc/69/49/93/1328694993.db2.gz CZOBLIHUFKICSL-GOSISDBHSA-N 0 3 338.398 3.238 20 10 EGCDHN C[C@H](c1ccccc1)[C@H](O)CNCc1cc(F)c(N(C)C)cc1F ZINC000858194986 1328708042 /nfs/dbraw/zinc/70/80/42/1328708042.db2.gz NYWXKZDKDTZZIA-BFUOFWGJSA-N 0 3 334.410 3.285 20 10 EGCDHN CO[C@@H]1CCOC[C@H]1N[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000903299153 1317684735 /nfs/dbraw/zinc/68/47/35/1317684735.db2.gz GMGIMIYTHZJJJK-LSBZLQRGSA-N 0 3 336.451 3.271 20 10 EGCDHN CCN(CC)c1ccc(CN2CC[C@H](C(=O)N3CCCC3)C2)cc1F ZINC000809770979 1317895140 /nfs/dbraw/zinc/89/51/40/1317895140.db2.gz CLMORSQHPCRTPQ-KRWDZBQOSA-N 0 3 347.478 3.116 20 10 EGCDHN CCOc1ccc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)c([O-])c1 ZINC000810164507 1317966276 /nfs/dbraw/zinc/96/62/76/1317966276.db2.gz DWZMPBKGGFEVRG-UYAOXDASSA-N 0 3 327.424 3.047 20 10 EGCDHN C[C@H]([NH2+][C@H]1CC(=O)N(c2ccccc2F)C1)c1cc(F)ccc1[O-] ZINC000812741106 1318448133 /nfs/dbraw/zinc/44/81/33/1318448133.db2.gz QWGHWHDWEVFTFX-AAEUAGOBSA-N 0 3 332.350 3.127 20 10 EGCDHN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)C[C@H]1CCCN1C ZINC000817675804 1319422925 /nfs/dbraw/zinc/42/29/25/1319422925.db2.gz BMUWJHALYARFST-OAHLLOKOSA-N 0 3 331.485 3.322 20 10 EGCDHN COC[C@@]1(CN[C@@H](C)c2cc(Cl)c(Cl)cc2[O-])CCC[NH2+]1 ZINC000817975481 1319482319 /nfs/dbraw/zinc/48/23/19/1319482319.db2.gz VKCNIKMMAMAAPS-BONVTDFDSA-N 0 3 333.259 3.118 20 10 EGCDHN C[C@H]([NH2+][C@@H](CN)C1CCCC1)c1cc(Br)ccc1[O-] ZINC000817980814 1319484230 /nfs/dbraw/zinc/48/42/30/1319484230.db2.gz DVHGEUBBKKAVEE-HZMBPMFUSA-N 0 3 327.266 3.323 20 10 EGCDHN COc1ccc(N2CC[C@@H](CNCc3ccnc(Cl)c3F)C2)cc1 ZINC000822494235 1320088328 /nfs/dbraw/zinc/08/83/28/1320088328.db2.gz KHOLAYUECOSNBX-ZDUSSCGKSA-N 0 3 349.837 3.499 20 10 EGCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000822503365 1320090715 /nfs/dbraw/zinc/09/07/15/1320090715.db2.gz GXKYKTDLCNJYAQ-LJQANCHMSA-N 0 3 334.423 3.488 20 10 EGCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000822503365 1320090720 /nfs/dbraw/zinc/09/07/20/1320090720.db2.gz GXKYKTDLCNJYAQ-LJQANCHMSA-N 0 3 334.423 3.488 20 10 EGCDHN CC(C)N1CCC([N@H+](C)Cc2ccc(Br)cc2[O-])CC1 ZINC000824549035 1320264783 /nfs/dbraw/zinc/26/47/83/1320264783.db2.gz VOHRSFJQPOPYRQ-UHFFFAOYSA-N 0 3 341.293 3.459 20 10 EGCDHN CC(C)N1CCC([N@@H+](C)Cc2ccc(Br)cc2[O-])CC1 ZINC000824549035 1320264788 /nfs/dbraw/zinc/26/47/88/1320264788.db2.gz VOHRSFJQPOPYRQ-UHFFFAOYSA-N 0 3 341.293 3.459 20 10 EGCDHN CCC[C@@H](C[NH2+]Cc1cc(Br)cc(OC)c1[O-])OC ZINC000824544045 1320263921 /nfs/dbraw/zinc/26/39/21/1320263921.db2.gz SMCREDMTZDJXGM-LBPRGKRZSA-N 0 3 332.238 3.068 20 10 EGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2(CS(C)(=O)=O)CCC2)c1[O-] ZINC000840889562 1321171303 /nfs/dbraw/zinc/17/13/03/1321171303.db2.gz IPCRUQUGOFYSGZ-GFCCVEGCSA-N 0 3 345.892 3.220 20 10 EGCDHN Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H](C)c1cc2n(n1)CCC2 ZINC000840892940 1321172138 /nfs/dbraw/zinc/17/21/38/1321172138.db2.gz FHRCZDBPBYAGLY-HOTGVXAUSA-N 0 3 326.488 3.486 20 10 EGCDHN Cc1cc(N(C)C)ccc1CN1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000840942132 1321182821 /nfs/dbraw/zinc/18/28/21/1321182821.db2.gz SYZLVPMQAZUFMF-HOCLYGCPSA-N 0 3 330.394 3.196 20 10 EGCDHN COc1cc(O)c(CNCc2cnccc2C(C)(C)C)cc1OC ZINC000840958004 1321186251 /nfs/dbraw/zinc/18/62/51/1321186251.db2.gz GTMJCZAZYBIOEV-UHFFFAOYSA-N 0 3 330.428 3.392 20 10 EGCDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccc(N)cc1 ZINC000841301542 1321250088 /nfs/dbraw/zinc/25/00/88/1321250088.db2.gz UAJPVYJGPGPVKV-UHFFFAOYSA-N 0 3 330.407 3.004 20 10 EGCDHN Cc1cc(C(=O)NCCN2CCCC2)c(C)n1-c1ccccc1C ZINC000842264807 1321366669 /nfs/dbraw/zinc/36/66/69/1321366669.db2.gz CWXIDXTWZZNBOQ-UHFFFAOYSA-N 0 3 325.456 3.228 20 10 EGCDHN Cc1ccc(-c2nn(C)cc2CNCc2ccc(N(C)C)c(F)c2)o1 ZINC000842672887 1321416533 /nfs/dbraw/zinc/41/65/33/1321416533.db2.gz FYVYSYMOHTWJMJ-UHFFFAOYSA-N 0 3 342.418 3.483 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+][C@H](C)COCC2CC2)c1[O-] ZINC000846074100 1321766349 /nfs/dbraw/zinc/76/63/49/1321766349.db2.gz WXUOHIQAOSHRBD-LLVKDONJSA-N 0 3 328.250 3.368 20 10 EGCDHN COc1cc(CNCc2n[nH]c(C(C)(C)C)n2)c(O)c(C(C)(C)C)c1 ZINC000850323047 1322228663 /nfs/dbraw/zinc/22/86/63/1322228663.db2.gz BIXPWELOSWMWAU-UHFFFAOYSA-N 0 3 346.475 3.404 20 10 EGCDHN Cc1nc(C)c(CNCc2ccc(N3CCC(O)CC3)cc2)s1 ZINC000850406105 1322239999 /nfs/dbraw/zinc/23/99/99/1322239999.db2.gz RYAYYDUAIFGYST-UHFFFAOYSA-N 0 3 331.485 3.011 20 10 EGCDHN CC[C@@H]([NH2+][C@H]1CC(=O)N(c2ccc(OC)cc2)C1)c1ccccc1[O-] ZINC000850516287 1322260170 /nfs/dbraw/zinc/26/01/70/1322260170.db2.gz UMQPCUVCPVFELF-KBXCAEBGSA-N 0 3 340.423 3.247 20 10 EGCDHN CC[C@H]([NH2+]CC1(S(C)(=O)=O)CCCCC1)c1ccccc1[O-] ZINC000850532707 1322262260 /nfs/dbraw/zinc/26/22/60/1322262260.db2.gz XATPBMCFDDTNNR-HNNXBMFYSA-N 0 3 325.474 3.180 20 10 EGCDHN C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cc(F)ccc1[O-] ZINC000850568350 1322269226 /nfs/dbraw/zinc/26/92/26/1322269226.db2.gz VWZIJINCLPTNMI-CQSZACIVSA-N 0 3 344.430 3.343 20 10 EGCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O ZINC000852019226 1323133598 /nfs/dbraw/zinc/13/35/98/1323133598.db2.gz VVAFFMJNOLPOSM-BPQIPLTHSA-N 0 3 330.472 3.442 20 10 EGCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O ZINC000852019226 1323133603 /nfs/dbraw/zinc/13/36/03/1323133603.db2.gz VVAFFMJNOLPOSM-BPQIPLTHSA-N 0 3 330.472 3.442 20 10 EGCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc2c(s1)CCNC2 ZINC000852883555 1323249944 /nfs/dbraw/zinc/24/99/44/1323249944.db2.gz ZFJHOMKSSTUCFU-UHFFFAOYSA-N 0 3 343.496 3.122 20 10 EGCDHN CC[NH+](CC)C[C@@H]1CCN(Cc2c([O-])cccc2Br)C1 ZINC000862249462 1329470877 /nfs/dbraw/zinc/47/08/77/1329470877.db2.gz PWSHCAOSBVQQBY-ZDUSSCGKSA-N 0 3 341.293 3.318 20 10 EGCDHN [O-]c1cccc2c1[C@H]([NH2+]Cc1ccnc(N3CCSCC3)c1)CC2 ZINC000866474767 1330116734 /nfs/dbraw/zinc/11/67/34/1330116734.db2.gz SIQAZXVPZOUUCO-MRXNPFEDSA-N 0 3 341.480 3.118 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)c1[O-] ZINC001233110408 1376570730 /nfs/dbraw/zinc/57/07/30/1376570730.db2.gz DMLDGHRXAOHVBM-SMDDNHRTSA-N 0 3 338.245 3.264 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)c1[O-] ZINC001233110408 1376570734 /nfs/dbraw/zinc/57/07/34/1376570734.db2.gz DMLDGHRXAOHVBM-SMDDNHRTSA-N 0 3 338.245 3.264 20 10 EGCDHN Cc1cc(Br)cc(CN2C[C@@H]3CCCC(=O)[C@@H]3C2)c1O ZINC001233110408 1376570741 /nfs/dbraw/zinc/57/07/41/1376570741.db2.gz DMLDGHRXAOHVBM-SMDDNHRTSA-N 0 3 338.245 3.264 20 10 EGCDHN CCOC(=O)Cc1ccc2c(c1)C[N@@H+](Cc1ccccc1[O-])CC2 ZINC001203550302 1370165839 /nfs/dbraw/zinc/16/58/39/1370165839.db2.gz QPPLJBIKLSNHFK-UHFFFAOYSA-N 0 3 325.408 3.056 20 10 EGCDHN CCOC(=O)Cc1ccc2c(c1)C[N@H+](Cc1ccccc1[O-])CC2 ZINC001203550302 1370165844 /nfs/dbraw/zinc/16/58/44/1370165844.db2.gz QPPLJBIKLSNHFK-UHFFFAOYSA-N 0 3 325.408 3.056 20 10 EGCDHN CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccccc2[O-])C1 ZINC001203550538 1370166121 /nfs/dbraw/zinc/16/61/21/1370166121.db2.gz YNMVEFHSBPROKD-GOEBONIOSA-N 0 3 332.444 3.224 20 10 EGCDHN CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccccc2[O-])C1 ZINC001203550538 1370166124 /nfs/dbraw/zinc/16/61/24/1370166124.db2.gz YNMVEFHSBPROKD-GOEBONIOSA-N 0 3 332.444 3.224 20 10 EGCDHN [O-]c1ccccc1C[N@@H+]1CCCC2(CCN(c3ncccn3)CC2)C1 ZINC001203551507 1370166743 /nfs/dbraw/zinc/16/67/43/1370166743.db2.gz GILSLWIDYBEQOF-UHFFFAOYSA-N 0 3 338.455 3.065 20 10 EGCDHN [O-]c1ccccc1C[N@H+]1CCCC2(CCN(c3ncccn3)CC2)C1 ZINC001203551507 1370166745 /nfs/dbraw/zinc/16/67/45/1370166745.db2.gz GILSLWIDYBEQOF-UHFFFAOYSA-N 0 3 338.455 3.065 20 10 EGCDHN CCOc1cccc(CN2CCCc3cc(O)c(O)cc3C2)c1O ZINC001203615012 1370188964 /nfs/dbraw/zinc/18/89/64/1370188964.db2.gz KOZKYAHFGPDNGO-UHFFFAOYSA-N 0 3 329.396 3.151 20 10 EGCDHN COc1ccc(C[NH+]2CCC3(CC[C@@H](COC(C)=O)C3)CC2)c([O-])c1 ZINC001203634514 1370195525 /nfs/dbraw/zinc/19/55/25/1370195525.db2.gz JYCNZCOUSCUJTO-MRXNPFEDSA-N 0 3 347.455 3.346 20 10 EGCDHN CC(C)N(C)Cc1cnc2n1CCN(Cc1cc(Cl)ccc1O)C2 ZINC001203659744 1370205812 /nfs/dbraw/zinc/20/58/12/1370205812.db2.gz ZSSTUGDVFHVQHG-UHFFFAOYSA-N 0 3 348.878 3.098 20 10 EGCDHN Oc1ccc(CN2CCc3ncnc(-c4ccccc4)c3CC2)cc1O ZINC001203877888 1370297176 /nfs/dbraw/zinc/29/71/76/1370297176.db2.gz YOBMWGFTTHIMNH-UHFFFAOYSA-N 0 3 347.418 3.156 20 10 EGCDHN C[C@@H]1CCN(Cc2ccc(N(C)C)cc2)C[C@H]1NC(=O)OC(C)(C)C ZINC001203930302 1370318565 /nfs/dbraw/zinc/31/85/65/1370318565.db2.gz RMJXKQOQZNRQHA-CRAIPNDOSA-N 0 3 347.503 3.488 20 10 EGCDHN COc1cccc(C(=O)C2CCN(Cc3ccc(O)cc3O)CC2)c1 ZINC001204277019 1370429273 /nfs/dbraw/zinc/42/92/73/1370429273.db2.gz WDYLXPQRKJEIJQ-UHFFFAOYSA-N 0 3 341.407 3.201 20 10 EGCDHN COc1ccccc1[C@@H](O)C[N@H+](Cc1ccc(O)cc1[O-])C(C)C ZINC001204280726 1370431074 /nfs/dbraw/zinc/43/10/74/1370431074.db2.gz NUXXYYFXQBIMGB-SFHVURJKSA-N 0 3 331.412 3.050 20 10 EGCDHN COc1ccccc1[C@@H](O)C[N@@H+](Cc1ccc(O)cc1[O-])C(C)C ZINC001204280726 1370431076 /nfs/dbraw/zinc/43/10/76/1370431076.db2.gz NUXXYYFXQBIMGB-SFHVURJKSA-N 0 3 331.412 3.050 20 10 EGCDHN CCN1CCC2(CCN(Cc3ccc(N4CCCC4)cc3)CC2)C1=O ZINC001204328276 1370445152 /nfs/dbraw/zinc/44/51/52/1370445152.db2.gz FVKHOGFTGZIYRK-UHFFFAOYSA-N 0 3 341.499 3.121 20 10 EGCDHN COc1cccc([C@@H]2CCCN(Cc3cc(O)c(O)c(OC)c3)C2)c1 ZINC001204348348 1370449542 /nfs/dbraw/zinc/44/95/42/1370449542.db2.gz CGDKYVVPRJHXEB-MRXNPFEDSA-N 0 3 343.423 3.495 20 10 EGCDHN C[C@@H](CN1CCCc2cc(O)c(O)cc2C1)OCc1ccccc1 ZINC001208703357 1371868787 /nfs/dbraw/zinc/86/87/87/1371868787.db2.gz ZPZBRTATXJBCNA-HNNXBMFYSA-N 0 3 327.424 3.451 20 10 EGCDHN Cc1ccccc1/N=N/c1ccc(NC(=O)[C@@H]2CNCCN2)c(C)c1 ZINC001219206333 1373693957 /nfs/dbraw/zinc/69/39/57/1373693957.db2.gz WYOAJDSHPPFKEF-FTGFMQHASA-N 0 3 337.427 3.219 20 10 EGCDHN Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCc1cc(=O)n2ccccc2n1 ZINC001326800973 1388315122 /nfs/dbraw/zinc/31/51/22/1388315122.db2.gz PSRQQBWQYOFWSQ-DZGCQCFKSA-N 0 3 335.407 3.047 20 10 EGCDHN COc1cc(Cl)cc(CN2CC[C@H](Oc3ccncc3)C2)c1O ZINC001233290790 1376605920 /nfs/dbraw/zinc/60/59/20/1376605920.db2.gz WHLGENKOYUCBHC-HNNXBMFYSA-N 0 3 334.803 3.103 20 10 EGCDHN COc1cc(Cl)cc(CN2CCC3(C[C@@H](F)CO3)CC2)c1O ZINC001233290090 1376606851 /nfs/dbraw/zinc/60/68/51/1376606851.db2.gz ICCJDGYSVXMEJC-CYBMUJFWSA-N 0 3 329.799 3.147 20 10 EGCDHN COc1cc(Cl)cc(C[NH+]2CCC3(C[C@@H](F)CO3)CC2)c1[O-] ZINC001233290090 1376606855 /nfs/dbraw/zinc/60/68/55/1376606855.db2.gz ICCJDGYSVXMEJC-CYBMUJFWSA-N 0 3 329.799 3.147 20 10 EGCDHN [O-]c1c(C[NH+]2CCC3(C[C@H](F)CO3)CC2)cccc1OC(F)(F)F ZINC001233768010 1376711761 /nfs/dbraw/zinc/71/17/61/1376711761.db2.gz JLAMUHZXPUXTQV-LBPRGKRZSA-N 0 3 349.324 3.384 20 10 EGCDHN [O-]c1cccc(F)c1CN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001137839585 1377629163 /nfs/dbraw/zinc/62/91/63/1377629163.db2.gz DXSKMFSRHCPOGM-MSOLQXFVSA-N 0 3 340.442 3.485 20 10 EGCDHN [O-]c1cccc(F)c1CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001137839585 1377629165 /nfs/dbraw/zinc/62/91/65/1377629165.db2.gz DXSKMFSRHCPOGM-MSOLQXFVSA-N 0 3 340.442 3.485 20 10 EGCDHN [O-]c1c(F)cccc1CN1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccccc2)C1 ZINC001138127422 1377681909 /nfs/dbraw/zinc/68/19/09/1377681909.db2.gz AQVSDFAKPZTXEK-LPHOPBHVSA-N 0 3 326.415 3.238 20 10 EGCDHN [O-]c1c(F)cccc1CN1C[C@H]2[C@@H](CC[N@H+]2Cc2ccccc2)C1 ZINC001138127422 1377681910 /nfs/dbraw/zinc/68/19/10/1377681910.db2.gz AQVSDFAKPZTXEK-LPHOPBHVSA-N 0 3 326.415 3.238 20 10 EGCDHN CCc1noc(C2CCN(Cc3ccc4c(c3)CCCN4C)CC2)n1 ZINC001138356613 1377708326 /nfs/dbraw/zinc/70/83/26/1377708326.db2.gz SCJLBXALGQZGLO-UHFFFAOYSA-N 0 3 340.471 3.394 20 10 EGCDHN NC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC001140058947 1377998332 /nfs/dbraw/zinc/99/83/32/1377998332.db2.gz QGWIZGQJLRMZHB-IEBWSBKVSA-N 0 3 342.414 3.155 20 10 EGCDHN NC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC001140058947 1377998333 /nfs/dbraw/zinc/99/83/33/1377998333.db2.gz QGWIZGQJLRMZHB-IEBWSBKVSA-N 0 3 342.414 3.155 20 10 EGCDHN COc1cccc(CN2CCN(Cc3c(C)ccc(C)c3O)CC2)c1 ZINC001140183680 1378027942 /nfs/dbraw/zinc/02/79/42/1378027942.db2.gz GDKWVMHDZWBQEH-UHFFFAOYSA-N 0 3 340.467 3.335 20 10 EGCDHN O=C1C[C@@]2(CN1C1CCCC1)CCCC[N@H+]2Cc1cc(F)ccc1[O-] ZINC001273284101 1378094903 /nfs/dbraw/zinc/09/49/03/1378094903.db2.gz FOBBLTVTAYKNGN-HXUWFJFHSA-N 0 3 346.446 3.431 20 10 EGCDHN O=C1C[C@@]2(CN1C1CCCC1)CCCC[N@@H+]2Cc1cc(F)ccc1[O-] ZINC001273284101 1378094905 /nfs/dbraw/zinc/09/49/05/1378094905.db2.gz FOBBLTVTAYKNGN-HXUWFJFHSA-N 0 3 346.446 3.431 20 10 EGCDHN Cc1ccc(O)c(CN2CCCn3cnc(COC(C)C)c3C2)c1 ZINC001140620538 1378099663 /nfs/dbraw/zinc/09/96/63/1378099663.db2.gz RTYHKPDACGVNHI-UHFFFAOYSA-N 0 3 329.444 3.228 20 10 EGCDHN Cc1ccc(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c([O-])c1 ZINC001140949553 1378189830 /nfs/dbraw/zinc/18/98/30/1378189830.db2.gz DPWYFMZFRTZHNU-UHFFFAOYSA-N 0 3 330.472 3.315 20 10 EGCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c(OC)c1 ZINC001141033036 1378214358 /nfs/dbraw/zinc/21/43/58/1378214358.db2.gz XFQXDKITSZTESJ-OAHLLOKOSA-N 0 3 347.386 3.202 20 10 EGCDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c(OC)c1 ZINC001141033036 1378214363 /nfs/dbraw/zinc/21/43/63/1378214363.db2.gz XFQXDKITSZTESJ-OAHLLOKOSA-N 0 3 347.386 3.202 20 10 EGCDHN COc1cc(O)c(CN2CC[C@@H](Oc3cccc(F)c3)C2)c(OC)c1 ZINC001141033036 1378214367 /nfs/dbraw/zinc/21/43/67/1378214367.db2.gz XFQXDKITSZTESJ-OAHLLOKOSA-N 0 3 347.386 3.202 20 10 EGCDHN FC1(F)CO[C@]2(CCN(Cc3cc4c5c(c3)CCCN5CCC4)C2)C1 ZINC001141078198 1378233589 /nfs/dbraw/zinc/23/35/89/1378233589.db2.gz ORAGSHHIAOISNL-LJQANCHMSA-N 0 3 348.437 3.386 20 10 EGCDHN C[C@]1(c2ccc(Cl)cc2)CN(Cc2c(O)cc(O)cc2O)CCO1 ZINC001144514916 1378740023 /nfs/dbraw/zinc/74/00/23/1378740023.db2.gz XOKINQBVRSLWKS-GOSISDBHSA-N 0 3 349.814 3.204 20 10 EGCDHN COc1ccc2c(c1)c1c(n2C)CCN(C2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001172229069 1384752227 /nfs/dbraw/zinc/75/22/27/1384752227.db2.gz KIAFNDFGRUFDQK-VHRNVKJDSA-N 0 3 326.440 3.255 20 10 EGCDHN Cc1cc(F)ncc1CNCc1ccc(N2CCC(CO)CC2)cc1 ZINC001334158463 1390491442 /nfs/dbraw/zinc/49/14/42/1390491442.db2.gz YHYQGSAYTOMYTP-UHFFFAOYSA-N 0 3 343.446 3.028 20 10 EGCDHN C[C@@H]([NH2+]Cc1ccccc1N1CCN(C)CC1)c1ccc(F)cc1[O-] ZINC001342390445 1390608009 /nfs/dbraw/zinc/60/80/09/1390608009.db2.gz PSXQZFWBKVTWTN-OAHLLOKOSA-N 0 3 343.446 3.134 20 10 EGCDHN O=C(/C=C\c1cncs1)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000493542543 311392539 /nfs/dbraw/zinc/39/25/39/311392539.db2.gz GALBAEJHFMLXRR-ZPIQOJFGSA-N 0 3 325.437 3.168 20 10 EGCDHN C[N@@H+]1CCC[C@H]2CN(Cc3cc(Br)ccc3[O-])CC[C@H]21 ZINC000228183520 456121637 /nfs/dbraw/zinc/12/16/37/456121637.db2.gz TUYPNQAMPWNAKI-SWLSCSKDSA-N 0 3 339.277 3.071 20 10 EGCDHN C[N@H+]1CCC[C@H]2CN(Cc3cc(Br)ccc3[O-])CC[C@H]21 ZINC000228183520 456121644 /nfs/dbraw/zinc/12/16/44/456121644.db2.gz TUYPNQAMPWNAKI-SWLSCSKDSA-N 0 3 339.277 3.071 20 10 EGCDHN [O-]c1ccc(F)cc1C[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000183177986 455244568 /nfs/dbraw/zinc/24/45/68/455244568.db2.gz RBWLEMJYWUZJTM-UHFFFAOYSA-N 0 3 345.349 3.443 20 10 EGCDHN C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)c1ccccc1[O-] ZINC000183378672 455285419 /nfs/dbraw/zinc/28/54/19/455285419.db2.gz PQQIXLZHHUOQTN-HOCLYGCPSA-N 0 3 332.469 3.178 20 10 EGCDHN CCS(=O)(=O)c1ccc([C@H](C)NCc2cc(OC)ccc2O)cc1 ZINC000089725999 454184208 /nfs/dbraw/zinc/18/42/08/454184208.db2.gz BFUUANHUSWCRIB-ZDUSSCGKSA-N 0 3 349.452 3.045 20 10 EGCDHN C[C@@H](NCc1cccc(N(C)C)c1)c1ccc(N2CCOCC2)cc1 ZINC000119836433 454225746 /nfs/dbraw/zinc/22/57/46/454225746.db2.gz SOCCZBJFWBYGPA-QGZVFWFLSA-N 0 3 339.483 3.440 20 10 EGCDHN C[C@H](N[C@H]1CC(=O)N(C2CC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000090181564 454291065 /nfs/dbraw/zinc/29/10/65/454291065.db2.gz SYPXNRMSQJQYBC-RDJZCZTQSA-N 0 3 327.472 3.091 20 10 EGCDHN CCNC(=O)c1cccc(CN[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000160170579 455434219 /nfs/dbraw/zinc/43/42/19/455434219.db2.gz IPJOTASZBVHOKB-OAHLLOKOSA-N 0 3 325.456 3.353 20 10 EGCDHN COc1ccc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)cc1O ZINC000160183122 455435454 /nfs/dbraw/zinc/43/54/54/455435454.db2.gz PHALWXDIMWXUKB-KRWDZBQOSA-N 0 3 343.423 3.288 20 10 EGCDHN CN(CCNC(=O)N(Cc1ccccc1O)C1CCCCC1)C1CC1 ZINC000074200627 454544435 /nfs/dbraw/zinc/54/44/35/454544435.db2.gz GZTUGGZFIVAJQM-UHFFFAOYSA-N 0 3 345.487 3.331 20 10 EGCDHN [O-]c1ccccc1C[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000105485888 454641112 /nfs/dbraw/zinc/64/11/12/454641112.db2.gz PEYLTWKUCOJSTC-SFHVURJKSA-N 0 3 346.858 3.209 20 10 EGCDHN C[C@@H](NC[C@@H](O)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000153794291 454833969 /nfs/dbraw/zinc/83/39/69/454833969.db2.gz TUHUGFANEJBYOB-FOIQADDNSA-N 0 3 344.430 3.047 20 10 EGCDHN COCCOc1ccc(C[NH2+][C@H](C)c2cc(OC)ccc2[O-])cc1 ZINC000185012286 455485981 /nfs/dbraw/zinc/48/59/81/455485981.db2.gz ARMFLHXPHLIJAT-CQSZACIVSA-N 0 3 331.412 3.277 20 10 EGCDHN COCCOc1ccc(CN[C@H](C)c2cc(OC)ccc2O)cc1 ZINC000185012286 455485983 /nfs/dbraw/zinc/48/59/83/455485983.db2.gz ARMFLHXPHLIJAT-CQSZACIVSA-N 0 3 331.412 3.277 20 10 EGCDHN C[C@H](C(=O)NCc1ccc2c(c1)CCCN2C)[C@H](N)c1ccccc1 ZINC000166475113 454913082 /nfs/dbraw/zinc/91/30/82/454913082.db2.gz JZSURTAPMDFROE-YWZLYKJASA-N 0 3 337.467 3.021 20 10 EGCDHN C[C@@H](N[C@@H]1CCCCNC1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000177872851 454914458 /nfs/dbraw/zinc/91/44/58/454914458.db2.gz ANDHUEZXAHWKEH-RHSMWYFYSA-N 0 3 333.451 3.135 20 10 EGCDHN CCn1cc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cn1 ZINC000113359165 454924438 /nfs/dbraw/zinc/92/44/38/454924438.db2.gz CIMBOHUTKWHPNK-QGZVFWFLSA-N 0 3 348.878 3.016 20 10 EGCDHN CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1[O-] ZINC000155273848 454981907 /nfs/dbraw/zinc/98/19/07/454981907.db2.gz YFQUQOOKFIHNEY-IBGZPJMESA-N 0 3 326.440 3.470 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+](C[C@@H]2CCOC2)C2CC2)c1[O-] ZINC000179678388 455066210 /nfs/dbraw/zinc/06/62/10/455066210.db2.gz PLYGXTRAMHKABG-LBPRGKRZSA-N 0 3 340.261 3.464 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)c1[O-] ZINC000179678388 455066215 /nfs/dbraw/zinc/06/62/15/455066215.db2.gz PLYGXTRAMHKABG-LBPRGKRZSA-N 0 3 340.261 3.464 20 10 EGCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000182860977 455178834 /nfs/dbraw/zinc/17/88/34/455178834.db2.gz OGZMAOWQFGEFFM-UHFFFAOYSA-N 0 3 327.424 3.174 20 10 EGCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCOCC2(CCOCC2)C1 ZINC000182860977 455178836 /nfs/dbraw/zinc/17/88/36/455178836.db2.gz OGZMAOWQFGEFFM-UHFFFAOYSA-N 0 3 327.424 3.174 20 10 EGCDHN COc1cccc(C[NH2+]C[C@H](c2ccc(C)o2)N2CCCC2)c1[O-] ZINC000237377270 455179032 /nfs/dbraw/zinc/17/90/32/455179032.db2.gz OVJZVBUINPIJCV-MRXNPFEDSA-N 0 3 330.428 3.229 20 10 EGCDHN CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc(OC)c(OC)cc2[O-])C12CCC2 ZINC000160428848 455457943 /nfs/dbraw/zinc/45/79/43/455457943.db2.gz OYJWXXVVQWUQEB-ZWKOTPCHSA-N 0 3 335.444 3.189 20 10 EGCDHN CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc(OC)c(OC)cc2[O-])C12CCC2 ZINC000160428848 455457947 /nfs/dbraw/zinc/45/79/47/455457947.db2.gz OYJWXXVVQWUQEB-ZWKOTPCHSA-N 0 3 335.444 3.189 20 10 EGCDHN COc1cc(O)c(CN2CCC[C@@H]2c2cccc(C)n2)cc1OC ZINC000160435284 455458052 /nfs/dbraw/zinc/45/80/52/455458052.db2.gz HXYQDAQYRNPFPM-MRXNPFEDSA-N 0 3 328.412 3.450 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]CCCS(=O)(=O)c2ccccc2)c([O-])c1 ZINC000185166905 455514861 /nfs/dbraw/zinc/51/48/61/455514861.db2.gz MWJMUHQDXVJNGC-OAHLLOKOSA-N 0 3 333.453 3.215 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)c1 ZINC000185464304 455560607 /nfs/dbraw/zinc/56/06/07/455560607.db2.gz OESZLNBSLCVYIV-UKRRQHHQSA-N 0 3 340.423 3.136 20 10 EGCDHN COc1ccc([C@@H](CN(C)C)NCc2ccc(N(C)C)c(F)c2)cc1 ZINC000283823234 455599281 /nfs/dbraw/zinc/59/92/81/455599281.db2.gz DEOINPJATDNFPC-LJQANCHMSA-N 0 3 345.462 3.293 20 10 EGCDHN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284233975 455655608 /nfs/dbraw/zinc/65/56/08/455655608.db2.gz UTNOIEWKMQNMAK-NSHDSACASA-N 0 3 332.379 3.233 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3F)C2=O)c([O-])c1 ZINC000186022752 455677690 /nfs/dbraw/zinc/67/76/90/455677690.db2.gz VMBBLBCDEJLPCV-XJKSGUPXSA-N 0 3 328.387 3.296 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](C)c2ccc(NC(N)=O)cc2)c1 ZINC000192849407 455705414 /nfs/dbraw/zinc/70/54/14/455705414.db2.gz NZGGZFAJHHEQGC-NEPJUHHUSA-N 0 3 329.400 3.303 20 10 EGCDHN CO[C@@H](C)[C@H](C)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000268780004 455712923 /nfs/dbraw/zinc/71/29/23/455712923.db2.gz PHLCIACQUBSKJO-STQMWFEESA-N 0 3 346.393 3.055 20 10 EGCDHN NC(=O)C[C@@H](NCc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000293013005 455771668 /nfs/dbraw/zinc/77/16/68/455771668.db2.gz ODQZEBUOYCGXOY-HXUWFJFHSA-N 0 3 337.467 3.383 20 10 EGCDHN COCC[C@@](C)(O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000293600906 455792685 /nfs/dbraw/zinc/79/26/85/455792685.db2.gz GAUMSKWCUIIYAI-PZJWPPBQSA-N 0 3 343.467 3.443 20 10 EGCDHN CC[C@H]([NH2+]CC(=O)NCCc1ccccc1)c1ccc(C)cc1[O-] ZINC000279988606 455880652 /nfs/dbraw/zinc/88/06/52/455880652.db2.gz FDJSWDUJUCOZAC-SFHVURJKSA-N 0 3 326.440 3.100 20 10 EGCDHN C[C@@H](CO[C@H]1CCOC1)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000280283810 455935371 /nfs/dbraw/zinc/93/53/71/455935371.db2.gz MYMLRFLCNZWNBG-WFASDCNBSA-N 0 3 346.393 3.055 20 10 EGCDHN CC[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(C)cc1[O-] ZINC000280293709 455939278 /nfs/dbraw/zinc/93/92/78/455939278.db2.gz ZJOVCPGOTLUGJI-APWZRJJASA-N 0 3 332.488 3.242 20 10 EGCDHN Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CCc4cccc([O-])c43)C2=O)cc1 ZINC000296576766 455977838 /nfs/dbraw/zinc/97/78/38/455977838.db2.gz VPXJDVPSWFBMJV-ROUUACIJSA-N 0 3 336.435 3.079 20 10 EGCDHN CN(Cc1cccs1)c1ccc(CN[C@]2(CCO)CCOC2)cc1 ZINC000296820830 456045595 /nfs/dbraw/zinc/04/55/95/456045595.db2.gz NIIGAFHSZOQCQM-LJQANCHMSA-N 0 3 346.496 3.016 20 10 EGCDHN Cc1ccc([C@H](C)NCc2ccncc2OC[C@@H]2CCOC2)c(O)c1 ZINC000287381937 456067937 /nfs/dbraw/zinc/06/79/37/456067937.db2.gz PNBVALBZIWMOIF-JKSUJKDBSA-N 0 3 342.439 3.362 20 10 EGCDHN COc1ccc(N2CCN(CCCNc3cccc(C)n3)CC2)cc1 ZINC000301269425 456077204 /nfs/dbraw/zinc/07/72/04/456077204.db2.gz JEXLSRWXZIEMGR-UHFFFAOYSA-N 0 3 340.471 3.023 20 10 EGCDHN COc1ccc([C@H](C)[NH2+]Cc2cc3c(cc2[O-])OCO3)c(C)c1OC ZINC000288525702 456098329 /nfs/dbraw/zinc/09/83/29/456098329.db2.gz VEMCYUGEVNEUJX-LBPRGKRZSA-N 0 3 345.395 3.297 20 10 EGCDHN COc1ccc([C@H](C)NCc2cc3c(cc2O)OCO3)c(C)c1OC ZINC000288525702 456098334 /nfs/dbraw/zinc/09/83/34/456098334.db2.gz VEMCYUGEVNEUJX-LBPRGKRZSA-N 0 3 345.395 3.297 20 10 EGCDHN Cc1ccc([O-])c(C[N@@H+](C)C2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000271200419 456167995 /nfs/dbraw/zinc/16/79/95/456167995.db2.gz WFVVFGIAERJRLT-UHFFFAOYSA-N 0 3 338.451 3.437 20 10 EGCDHN Cc1ccc([O-])c(C[N@H+](C)C2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000271200419 456168000 /nfs/dbraw/zinc/16/80/00/456168000.db2.gz WFVVFGIAERJRLT-UHFFFAOYSA-N 0 3 338.451 3.437 20 10 EGCDHN CCCN(Cc1ccccc1O)C(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000236732627 456176335 /nfs/dbraw/zinc/17/63/35/456176335.db2.gz ZJLTXCRDTDHIPL-KXBFYZLASA-N 0 3 326.440 3.467 20 10 EGCDHN CCCCNC(=O)c1ccc(CNCc2cccc(OC)c2O)cc1 ZINC000236799682 456185853 /nfs/dbraw/zinc/18/58/53/456185853.db2.gz CGXMQMPZVXSNTQ-UHFFFAOYSA-N 0 3 342.439 3.221 20 10 EGCDHN CCN(CC)[C@H](CNC(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC000236878310 456196081 /nfs/dbraw/zinc/19/60/81/456196081.db2.gz CARFPIYMCFMGTJ-LJQANCHMSA-N 0 3 325.456 3.011 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]CCOCC(F)F ZINC000189006313 456196666 /nfs/dbraw/zinc/19/66/66/456196666.db2.gz IIWZMCSCRJDSMY-UHFFFAOYSA-N 0 3 337.366 3.343 20 10 EGCDHN CCOc1cccc(C[NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)c1[O-] ZINC000236955702 456208704 /nfs/dbraw/zinc/20/87/04/456208704.db2.gz TTXSGQLOEZODSF-LBPRGKRZSA-N 0 3 329.400 3.132 20 10 EGCDHN CCOc1cccc(CN[C@@H](C)c2ccc(NC(N)=O)cc2)c1O ZINC000236955702 456208708 /nfs/dbraw/zinc/20/87/08/456208708.db2.gz TTXSGQLOEZODSF-LBPRGKRZSA-N 0 3 329.400 3.132 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)c([O-])c1 ZINC000273393972 456226544 /nfs/dbraw/zinc/22/65/44/456226544.db2.gz LMYJJOZQNZRCGR-MRXNPFEDSA-N 0 3 326.440 3.388 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+][C@@H](CO)C[C@H](O)c2ccccc2)c([O-])c1C ZINC000273447861 456231952 /nfs/dbraw/zinc/23/19/52/456231952.db2.gz FNQMBDMBJPZNPJ-WDYCEAGBSA-N 0 3 329.440 3.144 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCc2ccn(-c3ccccc3)n2)c1 ZINC000273620687 456241611 /nfs/dbraw/zinc/24/16/11/456241611.db2.gz YZGNVZOLSZGDCF-OAHLLOKOSA-N 0 3 337.423 3.480 20 10 EGCDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)N(C)Cc1ccccc1O ZINC000297577428 456257269 /nfs/dbraw/zinc/25/72/69/456257269.db2.gz LSLYNVKZDHSIFZ-KRWDZBQOSA-N 0 3 333.476 3.044 20 10 EGCDHN C[C@@H](N[C@@H](C)C(=O)N1CCCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000281745178 456308313 /nfs/dbraw/zinc/30/83/13/456308313.db2.gz VSPUSZIEGQYYFK-CVEARBPZSA-N 0 3 347.478 3.478 20 10 EGCDHN CO[C@H]1CC[N@H+](Cc2cc(Br)cc(C)c2[O-])[C@@H](C)C1 ZINC000282178842 456434874 /nfs/dbraw/zinc/43/48/74/456434874.db2.gz FMZHHDJCJBLIAX-FZMZJTMJSA-N 0 3 328.250 3.462 20 10 EGCDHN CO[C@H]1CC[N@@H+](Cc2cc(Br)cc(C)c2[O-])[C@@H](C)C1 ZINC000282178842 456434877 /nfs/dbraw/zinc/43/48/77/456434877.db2.gz FMZHHDJCJBLIAX-FZMZJTMJSA-N 0 3 328.250 3.462 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC2([S@](C)=O)CC2)c1[O-] ZINC000282203666 456441503 /nfs/dbraw/zinc/44/15/03/456441503.db2.gz GYXJOEBELCOLHS-DGIBIBHMSA-N 0 3 346.290 3.025 20 10 EGCDHN CCN(CC)c1ccc(CNCc2c[nH]c3nccnc23)cc1F ZINC000290985950 456487406 /nfs/dbraw/zinc/48/74/06/456487406.db2.gz ZBTKRPUPWZABPC-UHFFFAOYSA-N 0 3 327.407 3.233 20 10 EGCDHN COc1cccc(C[NH2+]C[C@H]2CCN(c3ccccc3F)C2)c1[O-] ZINC000291006863 456494561 /nfs/dbraw/zinc/49/45/61/456494561.db2.gz DGCJZAMJFKUNAP-CQSZACIVSA-N 0 3 330.403 3.156 20 10 EGCDHN C[C@@H]([NH2+][C@H]1CCN(C(=O)Nc2ccccc2)C1)c1cc(F)ccc1[O-] ZINC000282436889 456513146 /nfs/dbraw/zinc/51/31/46/456513146.db2.gz MSZPLCAWASDJCS-CJNGLKHVSA-N 0 3 343.402 3.488 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCCC23CCOCC3)c1[O-] ZINC000282865932 456649668 /nfs/dbraw/zinc/64/96/68/456649668.db2.gz XPKFHCSZUMNRCW-OAHLLOKOSA-N 0 3 325.836 3.493 20 10 EGCDHN COc1cccc(C[NH2+]C[C@@H]2CCCN(c3ccccc3)C2)c1[O-] ZINC000365503319 457762950 /nfs/dbraw/zinc/76/29/50/457762950.db2.gz DXCWNYRSJSPESO-INIZCTEOSA-N 0 3 326.440 3.407 20 10 EGCDHN CCOCc1cc(CN[C@@]2(CO)CCc3ccccc32)ccc1OC ZINC000366561073 457853094 /nfs/dbraw/zinc/85/30/94/457853094.db2.gz YODUUEVHFROCSU-OAQYLSRUSA-N 0 3 341.451 3.155 20 10 EGCDHN C[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)CC2(CCOCC2)O1 ZINC000366731677 457892792 /nfs/dbraw/zinc/89/27/92/457892792.db2.gz USJVDBYZDFCDNF-SFHVURJKSA-N 0 3 344.499 3.447 20 10 EGCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+]C[C@H]2CCSC2)C1 ZINC000366746722 457894260 /nfs/dbraw/zinc/89/42/60/457894260.db2.gz RHRNAYZOUUXWQH-CJNGLKHVSA-N 0 3 340.920 3.353 20 10 EGCDHN [O-]c1ccc2ccncc2c1C[N@@H+]1CCC[C@H]1CN1CCCCC1 ZINC000738099549 574752355 /nfs/dbraw/zinc/75/23/55/574752355.db2.gz PFDMOVYDUYEXIC-KRWDZBQOSA-N 0 3 325.456 3.391 20 10 EGCDHN [O-]c1ccc2ccncc2c1C[N@H+]1CCC[C@H]1CN1CCCCC1 ZINC000738099549 574752360 /nfs/dbraw/zinc/75/23/60/574752360.db2.gz PFDMOVYDUYEXIC-KRWDZBQOSA-N 0 3 325.456 3.391 20 10 EGCDHN [O-]c1ccc2ccncc2c1C[N@@H+]1CCC[C@@H]1CN1CCCCC1 ZINC000738099567 574752499 /nfs/dbraw/zinc/75/24/99/574752499.db2.gz PFDMOVYDUYEXIC-QGZVFWFLSA-N 0 3 325.456 3.391 20 10 EGCDHN [O-]c1ccc2ccncc2c1C[N@H+]1CCC[C@@H]1CN1CCCCC1 ZINC000738099567 574752501 /nfs/dbraw/zinc/75/25/01/574752501.db2.gz PFDMOVYDUYEXIC-QGZVFWFLSA-N 0 3 325.456 3.391 20 10 EGCDHN CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCCCN2CC)cc1 ZINC000729304916 574836657 /nfs/dbraw/zinc/83/66/57/574836657.db2.gz COORNZVHJLSBEK-IBGZPJMESA-N 0 3 331.504 3.366 20 10 EGCDHN C[C@@H](C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])CN1CCOCC1 ZINC000738438807 576326195 /nfs/dbraw/zinc/32/61/95/576326195.db2.gz FSYBJXXDVOLCBH-KRWDZBQOSA-N 0 3 340.467 3.117 20 10 EGCDHN O=C(/C=C\c1cncc(F)c1)N(CCN1CCCC1)c1ccccc1 ZINC000739649354 576438602 /nfs/dbraw/zinc/43/86/02/576438602.db2.gz MJPQLYKJGCQEBW-HJWRWDBZSA-N 0 3 339.414 3.363 20 10 EGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCCC[C@H]3C3OCCO3)c2c1 ZINC000740759083 576624173 /nfs/dbraw/zinc/62/41/73/576624173.db2.gz ROSNVUYALFUIQN-SFHVURJKSA-N 0 3 343.423 3.281 20 10 EGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCCC[C@H]3C3OCCO3)c2c1 ZINC000740759083 576624174 /nfs/dbraw/zinc/62/41/74/576624174.db2.gz ROSNVUYALFUIQN-SFHVURJKSA-N 0 3 343.423 3.281 20 10 EGCDHN COC(=O)c1ccc(OCC[N@H+](C)Cc2ccccc2[O-])c(Cl)c1 ZINC000744401659 576827264 /nfs/dbraw/zinc/82/72/64/576827264.db2.gz GICSKTLNWCOFEV-UHFFFAOYSA-N 0 3 349.814 3.343 20 10 EGCDHN COC(=O)c1ccc(OCC[N@@H+](C)Cc2ccccc2[O-])c(Cl)c1 ZINC000744401659 576827265 /nfs/dbraw/zinc/82/72/65/576827265.db2.gz GICSKTLNWCOFEV-UHFFFAOYSA-N 0 3 349.814 3.343 20 10 EGCDHN CC[C@H]([NH2+]CCNC(=O)c1ccc(F)cc1)c1ccc(C)cc1[O-] ZINC000794802068 1309598713 /nfs/dbraw/zinc/59/87/13/1309598713.db2.gz MDOAYKBXONPVMH-KRWDZBQOSA-N 0 3 330.403 3.310 20 10 EGCDHN COc1cc(Br)cc(C[NH2+]CCc2ccccc2)c1[O-] ZINC000032131244 1291376435 /nfs/dbraw/zinc/37/64/35/1291376435.db2.gz PNLIAOXSHYIJHF-UHFFFAOYSA-N 0 3 336.229 3.496 20 10 EGCDHN C[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@@]1(C)CO ZINC000827699615 1292358513 /nfs/dbraw/zinc/35/85/13/1292358513.db2.gz JQVMVKXNMXLOLI-KKSFZXQISA-N 0 3 341.451 3.422 20 10 EGCDHN C[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@@]1(C)CO ZINC000827699615 1292358522 /nfs/dbraw/zinc/35/85/22/1292358522.db2.gz JQVMVKXNMXLOLI-KKSFZXQISA-N 0 3 341.451 3.422 20 10 EGCDHN CC[C@H]([NH2+][C@@H](C)C(=O)NCCc1ccccc1)c1ccc(C)cc1[O-] ZINC000834896241 1293167611 /nfs/dbraw/zinc/16/76/11/1293167611.db2.gz IDNXJJXRDBGSPG-LPHOPBHVSA-N 0 3 340.467 3.489 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H](c3nccn3C)C2)c2c1c(F)ccc2[O-] ZINC000834910281 1293174101 /nfs/dbraw/zinc/17/41/01/1293174101.db2.gz CSDAVZZBGVBEOB-HLSYRSCKSA-N 0 3 345.418 3.323 20 10 EGCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H](O)c1ccccc1Br)CC2 ZINC000834911959 1293175081 /nfs/dbraw/zinc/17/50/81/1293175081.db2.gz VEDOZIUJTLYBEC-GOEBONIOSA-N 0 3 348.240 3.465 20 10 EGCDHN Cc1cc(N(C)C)ccc1CNCc1ccccc1N1CCOCC1 ZINC000115629560 1293192434 /nfs/dbraw/zinc/19/24/34/1293192434.db2.gz YQLCHYZXWUOBBG-UHFFFAOYSA-N 0 3 339.483 3.187 20 10 EGCDHN COc1ccc(CNCc2ccc(N(C)C)cc2C)cc1[N+](=O)[O-] ZINC000115629546 1293192548 /nfs/dbraw/zinc/19/25/48/1293192548.db2.gz PMSKKOSRARVECS-UHFFFAOYSA-N 0 3 329.400 3.268 20 10 EGCDHN C[C@H]1CC[N@H+](Cc2ccccc2[O-])C[C@H]1CNC(=O)OC(C)(C)C ZINC000835069189 1293198633 /nfs/dbraw/zinc/19/86/33/1293198633.db2.gz KWTYLHAEHVCFKD-GOEBONIOSA-N 0 3 334.460 3.375 20 10 EGCDHN C[C@H]1CC[N@@H+](Cc2ccccc2[O-])C[C@H]1CNC(=O)OC(C)(C)C ZINC000835069189 1293198636 /nfs/dbraw/zinc/19/86/36/1293198636.db2.gz KWTYLHAEHVCFKD-GOEBONIOSA-N 0 3 334.460 3.375 20 10 EGCDHN C[C@@H]1CC[N@H+](Cc2ccccc2[O-])C[C@@H]1CNC(=O)OC(C)(C)C ZINC000835069193 1293198862 /nfs/dbraw/zinc/19/88/62/1293198862.db2.gz KWTYLHAEHVCFKD-ZBFHGGJFSA-N 0 3 334.460 3.375 20 10 EGCDHN C[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C[C@@H]1CNC(=O)OC(C)(C)C ZINC000835069193 1293198865 /nfs/dbraw/zinc/19/88/65/1293198865.db2.gz KWTYLHAEHVCFKD-ZBFHGGJFSA-N 0 3 334.460 3.375 20 10 EGCDHN CC(C)(C)OC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000119493215 1293272989 /nfs/dbraw/zinc/27/29/89/1293272989.db2.gz SYZWSDYKMPULDE-GJZGRUSLSA-N 0 3 338.423 3.457 20 10 EGCDHN COC(=O)c1ccc(CN(C)Cc2cc(OC)c(C)cc2O)cc1 ZINC000179437468 1294793653 /nfs/dbraw/zinc/79/36/53/1294793653.db2.gz YRDSJRDASWTYIT-UHFFFAOYSA-N 0 3 329.396 3.128 20 10 EGCDHN CCOc1ccccc1NC(=O)CN[C@@H](C)c1cc(OC)ccc1O ZINC000182431700 1295047273 /nfs/dbraw/zinc/04/72/73/1295047273.db2.gz NSCWMBOBORCRJA-ZDUSSCGKSA-N 0 3 344.411 3.089 20 10 EGCDHN Cc1cc(C)cc([C@@H](C)NCC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000182896715 1295083693 /nfs/dbraw/zinc/08/36/93/1295083693.db2.gz VPYIGKQWBMUXPS-QGZVFWFLSA-N 0 3 339.483 3.336 20 10 EGCDHN CCSc1cc(CNCc2ccc(N3CCOCC3)cc2)ccn1 ZINC000189593574 1295532508 /nfs/dbraw/zinc/53/25/08/1295532508.db2.gz QFYRAFZMEHVIQE-UHFFFAOYSA-N 0 3 343.496 3.320 20 10 EGCDHN CC[NH+](CC)CCCC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000193159270 1295839554 /nfs/dbraw/zinc/83/95/54/1295839554.db2.gz WUNZQTMAGKFPOU-UHFFFAOYSA-N 0 3 334.460 3.072 20 10 EGCDHN CN(C)Cc1cccc(C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000193927524 1295926116 /nfs/dbraw/zinc/92/61/16/1295926116.db2.gz NIUALHMCDXKSTI-UHFFFAOYSA-N 0 3 337.467 3.278 20 10 EGCDHN CC[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])NC(=O)OC(C)(C)C ZINC000227721219 1296147987 /nfs/dbraw/zinc/14/79/87/1296147987.db2.gz AYIAQUAHELMFRB-WCQYABFASA-N 0 3 326.412 3.485 20 10 EGCDHN C[C@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)CN(C)C(=O)OC(C)(C)C ZINC000310558535 1297095551 /nfs/dbraw/zinc/09/55/51/1297095551.db2.gz JCPGJZLITGRRKV-UKRRQHHQSA-N 0 3 334.460 3.472 20 10 EGCDHN CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000310563710 1297098404 /nfs/dbraw/zinc/09/84/04/1297098404.db2.gz KUUTXMUGUJJARP-CABCVRRESA-N 0 3 332.444 3.369 20 10 EGCDHN COc1ccc(CN[C@H](C)c2cccc(O)c2)cc1Cn1cccn1 ZINC000873044257 1297244078 /nfs/dbraw/zinc/24/40/78/1297244078.db2.gz IGVFIWMNJCRXIH-OAHLLOKOSA-N 0 3 337.423 3.496 20 10 EGCDHN C[C@@H](CN(C)C(=O)OC(C)(C)C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000701927305 1298190976 /nfs/dbraw/zinc/19/09/76/1298190976.db2.gz CTYBCIBTMZMYFP-RYUDHWBXSA-N 0 3 326.412 3.437 20 10 EGCDHN C[C@@H](NC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C)c1ccccc1O ZINC000875573250 1298394247 /nfs/dbraw/zinc/39/42/47/1298394247.db2.gz JNRVZBJWXMJKKW-SPYBWZPUSA-N 0 3 341.455 3.444 20 10 EGCDHN OC1CCN(c2ccc(CN3CCC[C@H](C(F)(F)F)C3)cc2)CC1 ZINC000876536261 1298812057 /nfs/dbraw/zinc/81/20/57/1298812057.db2.gz XDGVAAYKMIULBO-HNNXBMFYSA-N 0 3 342.405 3.422 20 10 EGCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000876642363 1298892290 /nfs/dbraw/zinc/89/22/90/1298892290.db2.gz YGKMJKUPNAZQNN-OAHLLOKOSA-N 0 3 334.460 3.437 20 10 EGCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000876642363 1298892304 /nfs/dbraw/zinc/89/23/04/1298892304.db2.gz YGKMJKUPNAZQNN-OAHLLOKOSA-N 0 3 334.460 3.437 20 10 EGCDHN Cc1ccc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)c([O-])c1 ZINC000876965050 1299092437 /nfs/dbraw/zinc/09/24/37/1299092437.db2.gz ABHSMLQULNKCRG-UHFFFAOYSA-N 0 3 340.467 3.199 20 10 EGCDHN CCc1cnccc1[C@@H](C)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877134282 1299174050 /nfs/dbraw/zinc/17/40/50/1299174050.db2.gz OLJGROKBKVLXCZ-MRXNPFEDSA-N 0 3 339.483 3.456 20 10 EGCDHN Cc1cccc([O-])c1C[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000877402398 1299279673 /nfs/dbraw/zinc/27/96/73/1299279673.db2.gz CIVFZRSPKSFTDR-UHFFFAOYSA-N 0 3 329.415 3.409 20 10 EGCDHN COc1ccc(C[NH2+]CC(C)(C)CNC(=O)OC(C)(C)C)c([O-])c1 ZINC000877493827 1299344784 /nfs/dbraw/zinc/34/47/84/1299344784.db2.gz PAPOAJMCVANYFC-UHFFFAOYSA-N 0 3 338.448 3.041 20 10 EGCDHN COc1ccc(N2CCN(CCCC3CCOCC3)CC2)c(OC)c1 ZINC000877708203 1299498082 /nfs/dbraw/zinc/49/80/82/1299498082.db2.gz DCZGARKXDGBSTC-UHFFFAOYSA-N 0 3 348.487 3.033 20 10 EGCDHN Cc1ccc([C@H](C)NCC(=O)N(C)Cc2ccc(N(C)C)cc2)s1 ZINC000754660475 1300185854 /nfs/dbraw/zinc/18/58/54/1300185854.db2.gz VANSVJIRHMELDZ-HNNXBMFYSA-N 0 3 345.512 3.432 20 10 EGCDHN C[C@H]1C[C@H]([NH2+]CC(=O)N(C)Cc2ccccc2)c2c1c(F)ccc2[O-] ZINC000756432665 1300489246 /nfs/dbraw/zinc/48/92/46/1300489246.db2.gz LBVBIDGMJRTHNB-BBRMVZONSA-N 0 3 342.414 3.328 20 10 EGCDHN COCCOc1ncccc1CN[C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756432195 1300490039 /nfs/dbraw/zinc/49/00/39/1300490039.db2.gz PYLPPBQBILTVHP-SWLSCSKDSA-N 0 3 346.402 3.290 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+]CCC(=O)NCc2ccccc2)c2c1c(F)ccc2[O-] ZINC000756511635 1300511993 /nfs/dbraw/zinc/51/19/93/1300511993.db2.gz XNPJDYTVIMUNCR-CZUORRHYSA-N 0 3 342.414 3.376 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ncccc3F)C2)c2c1c(F)ccc2[O-] ZINC000756645359 1300539754 /nfs/dbraw/zinc/53/97/54/1300539754.db2.gz IWWFUEMVNWGIHP-XUJVJEKNSA-N 0 3 345.393 3.482 20 10 EGCDHN CC(C)N(Cc1ccccc1)C(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879647588 1300647181 /nfs/dbraw/zinc/64/71/81/1300647181.db2.gz FRHWYLFOUWMGTA-MRXNPFEDSA-N 0 3 326.440 3.480 20 10 EGCDHN CC[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)Nc1ccc(OC)cc1 ZINC000879649268 1300650314 /nfs/dbraw/zinc/65/03/14/1300650314.db2.gz OSLKSPLHMYJSCN-CXAGYDPISA-N 0 3 328.412 3.469 20 10 EGCDHN CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000759173058 1301032324 /nfs/dbraw/zinc/03/23/24/1301032324.db2.gz MINNYYARMXUFHL-UYAOXDASSA-N 0 3 327.424 3.343 20 10 EGCDHN C[C@H]1C[C@H]([NH2+]C2CCN(c3cccnn3)CC2)c2c1c(F)ccc2[O-] ZINC000760048221 1301213812 /nfs/dbraw/zinc/21/38/12/1301213812.db2.gz RRTQIRYFJUTOTG-WFASDCNBSA-N 0 3 342.418 3.128 20 10 EGCDHN CCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)c([O-])c1 ZINC000762613946 1301712971 /nfs/dbraw/zinc/71/29/71/1301712971.db2.gz LHPHDNQNBSAQRY-KBMXLJTQSA-N 0 3 325.499 3.260 20 10 EGCDHN Cc1nc([C@H](C)NCc2ccc(N3CCN(C)CC3)cc2)c(C)s1 ZINC000883289177 1302368200 /nfs/dbraw/zinc/36/82/00/1302368200.db2.gz GZQCVXFPMWDCLG-AWEZNQCLSA-N 0 3 344.528 3.363 20 10 EGCDHN CCOc1ccc(CN2CCN(c3ccc(F)cc3)CC2)c(O)c1 ZINC000768142755 1302834734 /nfs/dbraw/zinc/83/47/34/1302834734.db2.gz ODZVJJCBLCBSMK-UHFFFAOYSA-N 0 3 330.403 3.252 20 10 EGCDHN CCOc1ccccc1N1CCN(Cc2cc(C)ccc2O)CC1 ZINC000768142137 1302835082 /nfs/dbraw/zinc/83/50/82/1302835082.db2.gz ISIBYEWKPIWYCQ-UHFFFAOYSA-N 0 3 326.440 3.422 20 10 EGCDHN COc1cc(CN2CCN(c3ccccc3C)CC2)c(O)cc1C ZINC000768442085 1302903268 /nfs/dbraw/zinc/90/32/68/1302903268.db2.gz OQNSWPGIZSNVSX-UHFFFAOYSA-N 0 3 326.440 3.340 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]1CCc1ccccc1)[C@H](O)CO2 ZINC000768442151 1302903703 /nfs/dbraw/zinc/90/37/03/1302903703.db2.gz JRVJFEPIUYELCM-FXAWDEMLSA-N 0 3 339.435 3.415 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]1CCc1ccccc1)[C@H](O)CO2 ZINC000768442151 1302903710 /nfs/dbraw/zinc/90/37/10/1302903710.db2.gz JRVJFEPIUYELCM-FXAWDEMLSA-N 0 3 339.435 3.415 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](Cc3ccc(F)cc3)C1)[C@H](O)CO2 ZINC000768445838 1302907984 /nfs/dbraw/zinc/90/79/84/1302907984.db2.gz INACFCXPJCRWMM-AUUYWEPGSA-N 0 3 343.398 3.022 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](Cc3ccc(F)cc3)C1)[C@H](O)CO2 ZINC000768445838 1302907994 /nfs/dbraw/zinc/90/79/94/1302907994.db2.gz INACFCXPJCRWMM-AUUYWEPGSA-N 0 3 343.398 3.022 20 10 EGCDHN Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cc3c(cc2[O-])OC[C@@H]3O)c1 ZINC000768444322 1302908091 /nfs/dbraw/zinc/90/80/91/1302908091.db2.gz XMOZKLBWMNRMLJ-HKUYNNGSSA-N 0 3 325.408 3.464 20 10 EGCDHN Cc1cccc([C@@H]2CCC[N@H+]2Cc2cc3c(cc2[O-])OC[C@@H]3O)c1 ZINC000768444322 1302908102 /nfs/dbraw/zinc/90/81/02/1302908102.db2.gz XMOZKLBWMNRMLJ-HKUYNNGSSA-N 0 3 325.408 3.464 20 10 EGCDHN CC[N@@H+]1CC[C@H](N(C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1C ZINC000769470264 1303120226 /nfs/dbraw/zinc/12/02/26/1303120226.db2.gz KDBVWHINADDOHE-RISCZKNCSA-N 0 3 341.839 3.258 20 10 EGCDHN CC[N@H+]1CC[C@H](N(C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1C ZINC000769470264 1303120229 /nfs/dbraw/zinc/12/02/29/1303120229.db2.gz KDBVWHINADDOHE-RISCZKNCSA-N 0 3 341.839 3.258 20 10 EGCDHN CCOc1ccc(CN2CCO[C@]3(CCc4ccccc43)C2)c(O)c1 ZINC000769485223 1303123907 /nfs/dbraw/zinc/12/39/07/1303123907.db2.gz LYBZZKACBVKHPI-OAQYLSRUSA-N 0 3 339.435 3.465 20 10 EGCDHN CCOc1ccc(O)c(CNC2(c3ccc4c(c3)OCO4)CC2)c1 ZINC000769933271 1303195676 /nfs/dbraw/zinc/19/56/76/1303195676.db2.gz FVSFIHHNBGTYFK-UHFFFAOYSA-N 0 3 327.380 3.299 20 10 EGCDHN C/C=C/C[C@H](CO)N[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000769993927 1303203180 /nfs/dbraw/zinc/20/31/80/1303203180.db2.gz INAWORTUKPLLKY-LRPXVYOUSA-N 0 3 338.879 3.154 20 10 EGCDHN CCN(C)c1ccc(CN2CCC[C@@H](N3CCCCC3=O)C2)cc1 ZINC000773758751 1303736361 /nfs/dbraw/zinc/73/63/61/1303736361.db2.gz XYOSFNMDNBHTCV-LJQANCHMSA-N 0 3 329.488 3.120 20 10 EGCDHN CCN(C)c1ccc(CN2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000773887934 1303751651 /nfs/dbraw/zinc/75/16/51/1303751651.db2.gz JTMYTCHWJSAXCN-HOCLYGCPSA-N 0 3 330.394 3.278 20 10 EGCDHN Cc1ccc(CNC(=O)[C@H](C)N[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000774482785 1303815204 /nfs/dbraw/zinc/81/52/04/1303815204.db2.gz HQKHXXHUWQCQON-SJORKVTESA-N 0 3 339.483 3.417 20 10 EGCDHN CC[C@H]([NH2+]CCN1CCN(c2ccccc2)CC1)c1ccccc1[O-] ZINC000775488884 1303972119 /nfs/dbraw/zinc/97/21/19/1303972119.db2.gz WCHQLCXOGUBYSR-FQEVSTJZSA-N 0 3 339.483 3.255 20 10 EGCDHN C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000779034233 1304520359 /nfs/dbraw/zinc/52/03/59/1304520359.db2.gz QRJITVVBXFTRCL-QWHCGFSZSA-N 0 3 338.423 3.266 20 10 EGCDHN C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1cc(F)ccc1[O-] ZINC000779034233 1304520361 /nfs/dbraw/zinc/52/03/61/1304520361.db2.gz QRJITVVBXFTRCL-QWHCGFSZSA-N 0 3 338.423 3.266 20 10 EGCDHN Cc1cc(CN[C@@H](C)c2cc(Br)cc(C)c2O)ncn1 ZINC000779038176 1304522086 /nfs/dbraw/zinc/52/20/86/1304522086.db2.gz JUSNDEYTEJJJPF-NSHDSACASA-N 0 3 336.233 3.412 20 10 EGCDHN COc1cc(CN2CCC[C@](OC)(C(F)(F)F)C2)c(O)cc1C ZINC000780493843 1304700063 /nfs/dbraw/zinc/70/00/63/1304700063.db2.gz KEQLOBYRALHCJK-OAHLLOKOSA-N 0 3 333.350 3.253 20 10 EGCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H](F)c2ccccc2)N(C)C)cc1 ZINC000891247118 1304999274 /nfs/dbraw/zinc/99/92/74/1304999274.db2.gz FFDWUJKNICDFIW-MOPGFXCFSA-N 0 3 343.446 3.182 20 10 EGCDHN CN(C)c1ccc([C@H](CNC(=O)CCCC(F)(F)F)N(C)C)cc1 ZINC000891247623 1304999597 /nfs/dbraw/zinc/99/95/97/1304999597.db2.gz IKTUKZKOLAXUPP-HNNXBMFYSA-N 0 3 345.409 3.204 20 10 EGCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cccc(F)c2F)N(C)C)cc1 ZINC000891254527 1305001293 /nfs/dbraw/zinc/00/12/93/1305001293.db2.gz YZADDFQFQOAEGK-QGZVFWFLSA-N 0 3 347.409 3.064 20 10 EGCDHN CN(C)c1ccc([C@H](CNC(=O)CCc2cccs2)N(C)C)cc1 ZINC000891255224 1305001833 /nfs/dbraw/zinc/00/18/33/1305001833.db2.gz NVCXJQCKBWTNQX-SFHVURJKSA-N 0 3 345.512 3.166 20 10 EGCDHN CCC[N@H+](Cc1ccc(OC)c(OC)c1[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000892101948 1305250361 /nfs/dbraw/zinc/25/03/61/1305250361.db2.gz PAQRNFCJVOUJHN-ZMYBRWDISA-N 0 3 349.471 3.435 20 10 EGCDHN CCC[N@@H+](Cc1ccc(OC)c(OC)c1[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000892101948 1305250365 /nfs/dbraw/zinc/25/03/65/1305250365.db2.gz PAQRNFCJVOUJHN-ZMYBRWDISA-N 0 3 349.471 3.435 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)c1[O-] ZINC000785987223 1305487396 /nfs/dbraw/zinc/48/73/96/1305487396.db2.gz GQBVUPCUTZXUSC-JVLSTEMRSA-N 0 3 342.277 3.444 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)c1[O-] ZINC000785987223 1305487401 /nfs/dbraw/zinc/48/74/01/1305487401.db2.gz GQBVUPCUTZXUSC-JVLSTEMRSA-N 0 3 342.277 3.444 20 10 EGCDHN COc1ccc(Cl)cc1CNCc1ccc(OC)c(OC)c1O ZINC000892703596 1305516079 /nfs/dbraw/zinc/51/60/79/1305516079.db2.gz BJNSEUQILNBTGH-UHFFFAOYSA-N 0 3 337.803 3.361 20 10 EGCDHN Cc1cc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)cnc1F ZINC000892728331 1305526543 /nfs/dbraw/zinc/52/65/43/1305526543.db2.gz ACPUAYORQGLLHI-OAHLLOKOSA-N 0 3 329.419 3.217 20 10 EGCDHN COCC[C@@H](NCc1ccc(OC)c(OC)c1O)c1ccc(C)o1 ZINC000893400545 1305872250 /nfs/dbraw/zinc/87/22/50/1305872250.db2.gz FVLREMCIPLKZHD-CQSZACIVSA-N 0 3 335.400 3.178 20 10 EGCDHN CN(C)c1ccc(CN(C)CCn2cccn2)c(C(F)(F)F)c1 ZINC000792825062 1309237546 /nfs/dbraw/zinc/23/75/46/1309237546.db2.gz QWYGZQNFBDSYHK-UHFFFAOYSA-N 0 3 326.366 3.100 20 10 EGCDHN CCO[C@@H]1C[C@@H](NCc2ccc(N(C)C)cc2C(F)(F)F)[C@@H]1OC ZINC000793080906 1309292987 /nfs/dbraw/zinc/29/29/87/1309292987.db2.gz XCGZYXJXQSHEIT-OAGGEKHMSA-N 0 3 346.393 3.053 20 10 EGCDHN C[C@@]1([NH2+]Cc2ccccc2[O-])CCN(C(=O)OCc2ccccc2)C1 ZINC000793343088 1309350800 /nfs/dbraw/zinc/35/08/00/1309350800.db2.gz ILISGUCEUSTKCS-HXUWFJFHSA-N 0 3 340.423 3.283 20 10 EGCDHN COc1ccc(C[NH2+][C@H]2C[C@H](C)CN(Cc3ccccc3)C2)c([O-])c1 ZINC000793389132 1309361738 /nfs/dbraw/zinc/36/17/38/1309361738.db2.gz WZQXVJUPXYSJCD-LPHOPBHVSA-N 0 3 340.467 3.401 20 10 EGCDHN CCc1cccc(CN[C@@H]2CCN(c3c(F)cccc3F)C2=O)c1O ZINC000895495551 1309369749 /nfs/dbraw/zinc/36/97/49/1309369749.db2.gz SISSHNLMGUXZPI-MRXNPFEDSA-N 0 3 346.377 3.128 20 10 EGCDHN CC[C@H]([NH2+]CCc1cccc(C(=O)NC)c1)c1ccc(C)cc1[O-] ZINC000794801317 1309596631 /nfs/dbraw/zinc/59/66/31/1309596631.db2.gz JMPPCDRBPGOFSN-SFHVURJKSA-N 0 3 326.440 3.344 20 10 EGCDHN CC[C@H]([NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccc(C)cc1[O-] ZINC000794813108 1309600072 /nfs/dbraw/zinc/60/00/72/1309600072.db2.gz CALJPXLNUBHATM-DZKIICNBSA-N 0 3 325.474 3.097 20 10 EGCDHN CCN(C(=O)CNCc1cc(Cl)cc(OC)c1O)c1ccccc1 ZINC000896293556 1309790842 /nfs/dbraw/zinc/79/08/42/1309790842.db2.gz NCUCELDMTHUKBX-UHFFFAOYSA-N 0 3 348.830 3.197 20 10 EGCDHN COc1cc(Cl)cc(CN2CCC(c3ccn(C)n3)CC2)c1O ZINC000896497062 1309885530 /nfs/dbraw/zinc/88/55/30/1309885530.db2.gz XSVHNWPMSJWHPO-UHFFFAOYSA-N 0 3 335.835 3.167 20 10 EGCDHN COc1cc(Cl)cc(C[NH+]2CCC(c3ccn(C)n3)CC2)c1[O-] ZINC000896497062 1309885537 /nfs/dbraw/zinc/88/55/37/1309885537.db2.gz XSVHNWPMSJWHPO-UHFFFAOYSA-N 0 3 335.835 3.167 20 10 EGCDHN COc1ccc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)c(O)c1OC ZINC000896511742 1309892865 /nfs/dbraw/zinc/89/28/65/1309892865.db2.gz ZSHIDVYYPHFYPT-LLVKDONJSA-N 0 3 332.356 3.168 20 10 EGCDHN CC[C@@H]([NH2+][C@H]1CCCN(C(=O)N2CCCC2)C1)c1ccc(C)cc1[O-] ZINC000797041259 1310131612 /nfs/dbraw/zinc/13/16/12/1310131612.db2.gz YLGAWFKNMDWABS-FUHWJXTLSA-N 0 3 345.487 3.422 20 10 EGCDHN CN(C)c1ccc([C@H](CNCc2csc(C3CC3)n2)N(C)C)cc1 ZINC000898452054 1310741833 /nfs/dbraw/zinc/74/18/33/1310741833.db2.gz SUMCENOQIKGASL-SFHVURJKSA-N 0 3 344.528 3.479 20 10 EGCDHN COc1cc(Br)cc(CN2CC[C@H](OC)[C@H](C)C2)c1O ZINC000824815030 1320287262 /nfs/dbraw/zinc/28/72/62/1320287262.db2.gz HOOAMHALEKTRIJ-MFKMUULPSA-N 0 3 344.249 3.020 20 10 EGCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1Cl ZINC000825710299 1320357547 /nfs/dbraw/zinc/35/75/47/1320357547.db2.gz LMSOKWZIUWQFRU-QMTHXVAHSA-N 0 3 337.769 3.489 20 10 EGCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1Cl ZINC000825710299 1320357551 /nfs/dbraw/zinc/35/75/51/1320357551.db2.gz LMSOKWZIUWQFRU-QMTHXVAHSA-N 0 3 337.769 3.489 20 10 EGCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1Cl ZINC000825710298 1320357630 /nfs/dbraw/zinc/35/76/30/1320357630.db2.gz LMSOKWZIUWQFRU-IINYFYTJSA-N 0 3 337.769 3.489 20 10 EGCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1Cl ZINC000825710298 1320357637 /nfs/dbraw/zinc/35/76/37/1320357637.db2.gz LMSOKWZIUWQFRU-IINYFYTJSA-N 0 3 337.769 3.489 20 10 EGCDHN CCOc1cccc(C[N@@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)c1[O-] ZINC000827197232 1320433160 /nfs/dbraw/zinc/43/31/60/1320433160.db2.gz XQGYGTQPVSGAKJ-RBUKOAKNSA-N 0 3 341.451 3.389 20 10 EGCDHN CCOc1cccc(C[N@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)c1[O-] ZINC000827197232 1320433163 /nfs/dbraw/zinc/43/31/63/1320433163.db2.gz XQGYGTQPVSGAKJ-RBUKOAKNSA-N 0 3 341.451 3.389 20 10 EGCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c1[O-] ZINC000839186179 1320889925 /nfs/dbraw/zinc/88/99/25/1320889925.db2.gz BKKYNKCHVUDRHI-JIMOISOXSA-N 0 3 326.234 3.442 20 10 EGCDHN C[C@@H](NCC(=O)N(C)Cc1cccs1)c1ccc(N(C)C)cc1 ZINC000839563485 1320938194 /nfs/dbraw/zinc/93/81/94/1320938194.db2.gz LBEINURIVWZPIE-CQSZACIVSA-N 0 3 331.485 3.123 20 10 EGCDHN Cc1ccc(C(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)c(O)c1O ZINC000802383220 1317004579 /nfs/dbraw/zinc/00/45/79/1317004579.db2.gz LTTQLOYOWFGQOT-HNNXBMFYSA-N 0 3 348.830 3.092 20 10 EGCDHN COc1ccc(C[NH2+]Cc2ccc(-c3cnn(C)c3)s2)c([O-])c1 ZINC000802650820 1317021676 /nfs/dbraw/zinc/02/16/76/1317021676.db2.gz BJFAZZXOQUPNBD-UHFFFAOYSA-N 0 3 329.425 3.153 20 10 EGCDHN CN(C)c1cc(F)c(CNCCCN(C)CC(F)(F)F)cc1F ZINC000858098745 1328681744 /nfs/dbraw/zinc/68/17/44/1328681744.db2.gz QNPFMGCJTHYEOH-UHFFFAOYSA-N 0 3 339.352 3.005 20 10 EGCDHN CCNc1ccccc1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000902621344 1317599684 /nfs/dbraw/zinc/59/96/84/1317599684.db2.gz GCGKIWXOJMWMSM-UHFFFAOYSA-N 0 3 339.483 3.369 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc(-n3cncn3)nc2)c1[O-] ZINC000808676382 1317713401 /nfs/dbraw/zinc/71/34/01/1317713401.db2.gz CBBURYQLODDQHB-LBPRGKRZSA-N 0 3 343.818 3.181 20 10 EGCDHN COc1ccc(C[NH2+][C@H](C)Cc2ccc(OC)c(OC)c2C)c([O-])c1 ZINC000809658116 1317858800 /nfs/dbraw/zinc/85/88/00/1317858800.db2.gz DQPCVCZEUHVINH-CYBMUJFWSA-N 0 3 345.439 3.447 20 10 EGCDHN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(C(=O)N(C)C)cc1 ZINC000813857305 1318644573 /nfs/dbraw/zinc/64/45/73/1318644573.db2.gz RYEFDWQPONFXFY-AWEZNQCLSA-N 0 3 343.446 3.444 20 10 EGCDHN [O-]c1ccccc1C[N@@H+](Cc1ccc2nonc2c1)C[C@H]1CCCO1 ZINC000821390800 1320010289 /nfs/dbraw/zinc/01/02/89/1320010289.db2.gz DZMDIUAIQLKITQ-MRXNPFEDSA-N 0 3 339.395 3.110 20 10 EGCDHN [O-]c1ccccc1C[N@H+](Cc1ccc2nonc2c1)C[C@H]1CCCO1 ZINC000821390800 1320010294 /nfs/dbraw/zinc/01/02/94/1320010294.db2.gz DZMDIUAIQLKITQ-MRXNPFEDSA-N 0 3 339.395 3.110 20 10 EGCDHN CCOC(=O)c1cc(CNCc2ccc3c(c2)CCCN3C)[nH]c1C ZINC000823729899 1320201577 /nfs/dbraw/zinc/20/15/77/1320201577.db2.gz MNSWECNMQCOQHF-UHFFFAOYSA-N 0 3 341.455 3.172 20 10 EGCDHN CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000824708008 1320278925 /nfs/dbraw/zinc/27/89/25/1320278925.db2.gz CGICYFZLXWVXDP-YLJYHZDGSA-N 0 3 327.424 3.200 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C)c1[O-] ZINC000824844838 1320290581 /nfs/dbraw/zinc/29/05/81/1320290581.db2.gz DORWRKCFTVMDQY-HOCLYGCPSA-N 0 3 329.868 3.433 20 10 EGCDHN COc1ccc(N2CCC(NCc3cnc(C4CC4)o3)CC2)cc1 ZINC000825175828 1320316973 /nfs/dbraw/zinc/31/69/73/1320316973.db2.gz JCWBNMURMSRCGR-UHFFFAOYSA-N 0 3 327.428 3.319 20 10 EGCDHN CC(C)(O)C1CN(Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000839139985 1320878686 /nfs/dbraw/zinc/87/86/86/1320878686.db2.gz MREHTMCRWCOFEM-UHFFFAOYSA-N 0 3 336.479 3.452 20 10 EGCDHN CN(C)c1ccc(CNC(=O)CNC2(c3ccccc3)CCC2)cc1 ZINC000839505081 1320930167 /nfs/dbraw/zinc/93/01/67/1320930167.db2.gz CIRSJPUKUFOOHR-UHFFFAOYSA-N 0 3 337.467 3.038 20 10 EGCDHN Cc1cc(N(C)C)ccc1CNCc1cccc(N2CCCC2=O)c1 ZINC000840929754 1321179424 /nfs/dbraw/zinc/17/94/24/1321179424.db2.gz WUMCMJGZAUEDAW-UHFFFAOYSA-N 0 3 337.467 3.478 20 10 EGCDHN Cc1nn(C)c(Cl)c1CN[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840975012 1321192139 /nfs/dbraw/zinc/19/21/39/1321192139.db2.gz BJEXNRYBDHJHDG-CYBMUJFWSA-N 0 3 334.895 3.477 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@H](CO)[C@H]2C)c1[O-] ZINC000840978996 1321193316 /nfs/dbraw/zinc/19/33/16/1321193316.db2.gz QTCCCVLOASRXIO-VXGBXAGGSA-N 0 3 328.250 3.056 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@H](CO)[C@H]2C)c1[O-] ZINC000840978996 1321193320 /nfs/dbraw/zinc/19/33/20/1321193320.db2.gz QTCCCVLOASRXIO-VXGBXAGGSA-N 0 3 328.250 3.056 20 10 EGCDHN COC(=O)c1occc1CN[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840977901 1321193371 /nfs/dbraw/zinc/19/33/71/1321193371.db2.gz XSLDDVISZJGOKM-AWEZNQCLSA-N 0 3 330.428 3.161 20 10 EGCDHN CN1CCN(c2ccc(CNc3ccc4c(c3)CCCN4)cc2)CC1 ZINC000841037510 1321206050 /nfs/dbraw/zinc/20/60/50/1321206050.db2.gz ULAVFBOCVKNHMK-UHFFFAOYSA-N 0 3 336.483 3.409 20 10 EGCDHN CCOc1cccc(CN2CCC(OC)(C(F)(F)F)CC2)c1O ZINC000841888809 1321326564 /nfs/dbraw/zinc/32/65/64/1321326564.db2.gz RKXNQDBKRCMXDW-UHFFFAOYSA-N 0 3 333.350 3.334 20 10 EGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000841893672 1321328010 /nfs/dbraw/zinc/32/80/10/1321328010.db2.gz HUHWGADSHNUARY-QGZVFWFLSA-N 0 3 332.394 3.488 20 10 EGCDHN CC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])C(=O)NCc1cccs1 ZINC000842911058 1321448576 /nfs/dbraw/zinc/44/85/76/1321448576.db2.gz WNMVAIPSNLEBEE-NHYWBVRUSA-N 0 3 336.432 3.338 20 10 EGCDHN CC(=O)c1cc(F)cc(CN2CC[NH2+]C[C@H]2c2cccc(F)c2)c1[O-] ZINC000843378565 1321508518 /nfs/dbraw/zinc/50/85/18/1321508518.db2.gz FWTULIVHLPJUPX-SFHVURJKSA-N 0 3 346.377 3.020 20 10 EGCDHN CC(C)N1CCN(c2cccc(NC(=O)c3ccccc3N)c2)CC1 ZINC000843492634 1321523079 /nfs/dbraw/zinc/52/30/79/1321523079.db2.gz UMESTXGJWPNJEQ-UHFFFAOYSA-N 0 3 338.455 3.052 20 10 EGCDHN COc1ccc(N2CCN(CCc3cccs3)CC2)c(OC)c1 ZINC000846746202 1321804437 /nfs/dbraw/zinc/80/44/37/1321804437.db2.gz TXMHONGLQACDOF-UHFFFAOYSA-N 0 3 332.469 3.130 20 10 EGCDHN CCc1cccc(CNCc2ccc(OC)c(OC)c2OC)c1O ZINC000848894875 1322034459 /nfs/dbraw/zinc/03/44/59/1322034459.db2.gz PVSHCSCMMKOLQX-UHFFFAOYSA-N 0 3 331.412 3.270 20 10 EGCDHN CC[C@@H](C)NC(=O)[C@H](C)NCc1cc(OC)cc(C(C)(C)C)c1O ZINC000850096917 1322192093 /nfs/dbraw/zinc/19/20/93/1322192093.db2.gz RUSPXDZKYBCBKY-OLZOCXBDSA-N 0 3 336.476 3.091 20 10 EGCDHN COc1cc(CN[C@@H]2c3ccccc3C[C@H]2O)c(O)c(C(C)(C)C)c1 ZINC000850181328 1322202711 /nfs/dbraw/zinc/20/27/11/1322202711.db2.gz SGKCZTXIDTVKSK-RTBURBONSA-N 0 3 341.451 3.446 20 10 EGCDHN OC1CCN(c2ccc(CNCc3cc(F)cc(F)c3)cc2)CC1 ZINC000850405825 1322240235 /nfs/dbraw/zinc/24/02/35/1322240235.db2.gz GICCQXLKPVZTGT-UHFFFAOYSA-N 0 3 332.394 3.216 20 10 EGCDHN CN(C)C(=O)Nc1ccc(CNCc2ccc3c(c2)CCCO3)cc1 ZINC000922083710 1322451332 /nfs/dbraw/zinc/45/13/32/1322451332.db2.gz IENORSAMJZQWMD-UHFFFAOYSA-N 0 3 339.439 3.395 20 10 EGCDHN COC(=O)Nc1cccc(CNCc2ccc3c(c2)CCCO3)c1 ZINC000922124031 1322460130 /nfs/dbraw/zinc/46/01/30/1322460130.db2.gz SLYIYYRHVOGWAV-UHFFFAOYSA-N 0 3 326.396 3.480 20 10 EGCDHN C[C@@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@@H]1CO ZINC000857062314 1325565386 /nfs/dbraw/zinc/56/53/86/1325565386.db2.gz ZYUMTBGGUBNBKS-NVXWUHKLSA-N 0 3 347.459 3.035 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](n2cncn2)C(F)(F)F)c1[O-] ZINC000866435677 1330111845 /nfs/dbraw/zinc/11/18/45/1330111845.db2.gz CTURSHOYAGCMIT-CABZTGNLSA-N 0 3 348.756 3.400 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](n2cncn2)C(F)(F)F)c1[O-] ZINC000866435678 1330111913 /nfs/dbraw/zinc/11/19/13/1330111913.db2.gz CTURSHOYAGCMIT-JOYOIKCWSA-N 0 3 348.756 3.400 20 10 EGCDHN CCN(CC)c1ccc(CN(C)Cc2ccc(C(N)=O)cc2)cc1F ZINC001324441100 1387624330 /nfs/dbraw/zinc/62/43/30/1387624330.db2.gz GSWHHWOSMZPKRF-UHFFFAOYSA-N 0 3 343.446 3.403 20 10 EGCDHN COc1ccc(CN2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(O)c1 ZINC001203621315 1370190010 /nfs/dbraw/zinc/19/00/10/1370190010.db2.gz SRAWEWKWQGYXPM-OAHLLOKOSA-N 0 3 344.430 3.246 20 10 EGCDHN COc1ccc(C[N@@H+]2CCC[C@H](c3nc(C(C)C)no3)C2)c([O-])c1 ZINC001203629045 1370192818 /nfs/dbraw/zinc/19/28/18/1370192818.db2.gz PYNCNURTVRGIDV-AWEZNQCLSA-N 0 3 331.416 3.287 20 10 EGCDHN COc1ccc(C[N@H+]2CCC[C@H](c3nc(C(C)C)no3)C2)c([O-])c1 ZINC001203629045 1370192821 /nfs/dbraw/zinc/19/28/21/1370192821.db2.gz PYNCNURTVRGIDV-AWEZNQCLSA-N 0 3 331.416 3.287 20 10 EGCDHN COc1ccc(O)c(CN2CCN([C@@H](C)c3ccccc3)CC2)c1 ZINC001203678300 1370214181 /nfs/dbraw/zinc/21/41/81/1370214181.db2.gz KFAINPGWSSSXBC-INIZCTEOSA-N 0 3 326.440 3.280 20 10 EGCDHN CN(C)c1ccc(CN2CC[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)cc1 ZINC001203931426 1370319205 /nfs/dbraw/zinc/31/92/05/1370319205.db2.gz POYDXEJYHRMUEK-ROUUACIJSA-N 0 3 345.487 3.336 20 10 EGCDHN COc1cc(N2CCN(Cc3ccc(O)cc3O)CC2)ccc1Cl ZINC001204281893 1370431544 /nfs/dbraw/zinc/43/15/44/1370431544.db2.gz ZJSJCXVQHADWBH-UHFFFAOYSA-N 0 3 348.830 3.082 20 10 EGCDHN O=C([C@H]1CCCCN1Cc1ccc(N2CCCC2)cc1)N1CCCC1 ZINC001204327520 1370445648 /nfs/dbraw/zinc/44/56/48/1370445648.db2.gz WWJIRQBTOGGOKA-HXUWFJFHSA-N 0 3 341.499 3.264 20 10 EGCDHN Cc1ccnc(O[C@H]2CCN(Cc3ccc(N4CCCC4)cc3)C2)n1 ZINC001204329637 1370445773 /nfs/dbraw/zinc/44/57/73/1370445773.db2.gz SORHCUHCMNALPW-IBGZPJMESA-N 0 3 338.455 3.039 20 10 EGCDHN COc1ccc([C@@H]2CCN(Cc3cc(O)c(O)c(OC)c3)C2)cc1 ZINC001204349135 1370450294 /nfs/dbraw/zinc/45/02/94/1370450294.db2.gz PZEKIGWVBPXMLS-OAHLLOKOSA-N 0 3 329.396 3.105 20 10 EGCDHN CN(c1ccc(N)cc1)c1ccc(C2(N3CCN(C)CC3)CC2)cc1 ZINC001205120225 1370655930 /nfs/dbraw/zinc/65/59/30/1370655930.db2.gz KHAMYDWIXAOBIN-UHFFFAOYSA-N 0 3 336.483 3.273 20 10 EGCDHN C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@H]1CN(C)C(=O)O1 ZINC001117707038 1371066562 /nfs/dbraw/zinc/06/65/62/1371066562.db2.gz VOFWNNDAJDXSRC-MAUKXSAKSA-N 0 3 340.423 3.406 20 10 EGCDHN C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@H]1CN(C)C(=O)O1 ZINC001117707038 1371066564 /nfs/dbraw/zinc/06/65/64/1371066564.db2.gz VOFWNNDAJDXSRC-MAUKXSAKSA-N 0 3 340.423 3.406 20 10 EGCDHN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C[C@H]1CN(C)C(=O)O1 ZINC001117707038 1371066569 /nfs/dbraw/zinc/06/65/69/1371066569.db2.gz VOFWNNDAJDXSRC-MAUKXSAKSA-N 0 3 340.423 3.406 20 10 EGCDHN Cc1ccccc1O[C@@H]1CCCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233485069 1376653147 /nfs/dbraw/zinc/65/31/47/1376653147.db2.gz HTGVDFBTGOOUOP-OAHLLOKOSA-N 0 3 329.396 3.155 20 10 EGCDHN CCCN(Cc1cc(Br)c(C)cc1[O-])[C@@H]1CC[NH2+]C1 ZINC001236323984 1376949565 /nfs/dbraw/zinc/94/95/65/1376949565.db2.gz MNKUOOABTLGABP-CYBMUJFWSA-N 0 3 327.266 3.037 20 10 EGCDHN Cc1cc(Br)c([O-])c(CN(C(C)C)[C@@H]2CC[NH2+]C2)c1 ZINC001236528123 1376956852 /nfs/dbraw/zinc/95/68/52/1376956852.db2.gz JMZXDAMIXMMNAZ-CYBMUJFWSA-N 0 3 327.266 3.035 20 10 EGCDHN CCOC(=O)[C@@H]1CCCN(Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237140373 1376976646 /nfs/dbraw/zinc/97/66/46/1376976646.db2.gz KLGOBTSDARBKAK-LLVKDONJSA-N 0 3 331.334 3.186 20 10 EGCDHN O=c1ccc2c([nH]1)CC[N@@H+](Cc1cc(C(F)(F)F)ccc1[O-])CC2 ZINC001237140362 1376976670 /nfs/dbraw/zinc/97/66/70/1376976670.db2.gz KDHKQKCBXALDMJ-UHFFFAOYSA-N 0 3 338.329 3.112 20 10 EGCDHN O=c1ccc2c([nH]1)CC[N@H+](Cc1cc(C(F)(F)F)ccc1[O-])CC2 ZINC001237140362 1376976685 /nfs/dbraw/zinc/97/66/85/1376976685.db2.gz KDHKQKCBXALDMJ-UHFFFAOYSA-N 0 3 338.329 3.112 20 10 EGCDHN COc1cc(CN2CC[C@H](OCc3ccccc3)C2)c(O)c(OC)c1 ZINC001237676879 1376982697 /nfs/dbraw/zinc/98/26/97/1376982697.db2.gz RXWKSRAHQKYHGU-KRWDZBQOSA-N 0 3 343.423 3.201 20 10 EGCDHN O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2c([O-])cccc2F)CC1 ZINC001137832826 1377623844 /nfs/dbraw/zinc/62/38/44/1377623844.db2.gz JJVQNCVFQVJZQH-UHFFFAOYSA-N 0 3 341.386 3.424 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC[C@@](C)(C(=O)OC)C2)c(OC)c1 ZINC001138390468 1377714623 /nfs/dbraw/zinc/71/46/23/1377714623.db2.gz YDBJGPHGUURRBI-HXUWFJFHSA-N 0 3 348.487 3.317 20 10 EGCDHN CCOC(=O)COc1ccccc1C[N@H+](CC)Cc1ccccc1[O-] ZINC001139135917 1377836404 /nfs/dbraw/zinc/83/64/04/1377836404.db2.gz NAKCFQCJIGCGTK-UHFFFAOYSA-N 0 3 343.423 3.356 20 10 EGCDHN CCOC(=O)COc1ccccc1C[N@@H+](CC)Cc1ccccc1[O-] ZINC001139135917 1377836408 /nfs/dbraw/zinc/83/64/08/1377836408.db2.gz NAKCFQCJIGCGTK-UHFFFAOYSA-N 0 3 343.423 3.356 20 10 EGCDHN Cc1ccnc(OC2CCN(Cc3ccc(N(C)C)c(C)c3)CC2)n1 ZINC001139673878 1377931359 /nfs/dbraw/zinc/93/13/59/1377931359.db2.gz HIBHECXOEMBQMW-UHFFFAOYSA-N 0 3 340.471 3.203 20 10 EGCDHN [O-]c1c(F)ccc(F)c1C[NH+]1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC001139683345 1377933780 /nfs/dbraw/zinc/93/37/80/1377933780.db2.gz LTEBWSLNCMZDMB-HZPDHXFCSA-N 0 3 344.405 3.234 20 10 EGCDHN CC[N@H+](Cc1cc(F)ccc1[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140058972 1377998276 /nfs/dbraw/zinc/99/82/76/1377998276.db2.gz ROYMMUGONAFFHA-HNNXBMFYSA-N 0 3 338.423 3.363 20 10 EGCDHN CC[N@@H+](Cc1cc(F)ccc1[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140058972 1377998277 /nfs/dbraw/zinc/99/82/77/1377998277.db2.gz ROYMMUGONAFFHA-HNNXBMFYSA-N 0 3 338.423 3.363 20 10 EGCDHN O=C1N(C2CCCC2)CCC12CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001273284417 1378094443 /nfs/dbraw/zinc/09/44/43/1378094443.db2.gz HYKBJASFBCEUDA-UHFFFAOYSA-N 0 3 346.446 3.288 20 10 EGCDHN Fc1cc(N2CCOCC2)ccc1CN1CC[C@@H](c2ccccn2)C1 ZINC001140661375 1378108747 /nfs/dbraw/zinc/10/87/47/1378108747.db2.gz CCNZFVDUDRBRKE-QGZVFWFLSA-N 0 3 341.430 3.047 20 10 EGCDHN COc1ccc(CN2CCN(Cc3ccc(C)cc3O)CC2)cc1 ZINC001140949677 1378190668 /nfs/dbraw/zinc/19/06/68/1378190668.db2.gz HVHVODLGKHZQLD-UHFFFAOYSA-N 0 3 326.440 3.027 20 10 EGCDHN Cc1ccc(CN2CCC[C@@H](NC(=O)c3ccccc3F)C2)c(O)c1 ZINC001140954305 1378191438 /nfs/dbraw/zinc/19/14/38/1378191438.db2.gz PHTCEKAEBBBJBJ-MRXNPFEDSA-N 0 3 342.414 3.234 20 10 EGCDHN CC(C)(C)c1cccc(CN2CCN(c3ccccn3)CC2)c1O ZINC001143101279 1378539564 /nfs/dbraw/zinc/53/95/64/1378539564.db2.gz DVBVMIJWXPTLCS-UHFFFAOYSA-N 0 3 325.456 3.407 20 10 EGCDHN CN1CCN(c2cccc(NCc3cc4ccccc4cc3O)n2)CC1 ZINC001160206489 1382033845 /nfs/dbraw/zinc/03/38/45/1382033845.db2.gz JQLSFLAJYABIAZ-UHFFFAOYSA-N 0 3 348.450 3.304 20 10 EGCDHN C[C@@H]1CCCCN1c1cccc(NCCc2cc(O)c(O)cc2O)n1 ZINC001168008606 1383796249 /nfs/dbraw/zinc/79/62/49/1383796249.db2.gz CGHPTYXWRQDJOV-CYBMUJFWSA-N 0 3 343.427 3.232 20 10 EGCDHN CN1CCC=C(Nc2ccc(OCCOc3ccc(N)cc3)cc2)C1 ZINC001175578748 1385337851 /nfs/dbraw/zinc/33/78/51/1385337851.db2.gz OQKSOYHXBDIAOI-UHFFFAOYSA-N 0 3 339.439 3.358 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)CC(=O)OC(C)(C)C)c1[O-] ZINC001320302680 1386571447 /nfs/dbraw/zinc/57/14/47/1386571447.db2.gz OEAQUPQRHSYVFW-JTQLQIEISA-N 0 3 329.824 3.264 20 10 EGCDHN C[C@@H]1CN(CCCC[NH2+]Cc2c([O-])cccc2Cl)C[C@H](C)O1 ZINC000113329675 454923385 /nfs/dbraw/zinc/92/33/85/454923385.db2.gz ZEBUTYUEZVLSIC-OKILXGFUSA-N 0 3 326.868 3.025 20 10 EGCDHN [O-]c1ccccc1C[N@H+](C[C@H](O)c1ccccc1F)C[C@H]1CCCO1 ZINC000264730252 455271727 /nfs/dbraw/zinc/27/17/27/455271727.db2.gz QWOJCCYEAYPPHI-UZLBHIALSA-N 0 3 345.414 3.246 20 10 EGCDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)c1ccccc1F)C[C@H]1CCCO1 ZINC000264730252 455271731 /nfs/dbraw/zinc/27/17/31/455271731.db2.gz QWOJCCYEAYPPHI-UZLBHIALSA-N 0 3 345.414 3.246 20 10 EGCDHN CCCOc1ccc(CN2CCC[C@H](NC(=O)CCC)C2)c(O)c1 ZINC000092708539 454616223 /nfs/dbraw/zinc/61/62/23/454616223.db2.gz LFULHDLTAMCISP-INIZCTEOSA-N 0 3 334.460 3.062 20 10 EGCDHN C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1cccnc1 ZINC000092740582 454622606 /nfs/dbraw/zinc/62/26/06/454622606.db2.gz GAROZFZWGWQVJF-INIZCTEOSA-N 0 3 325.456 3.141 20 10 EGCDHN COCCOC1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000093339344 454704190 /nfs/dbraw/zinc/70/41/90/454704190.db2.gz COQWZRPACGWPMQ-UHFFFAOYSA-N 0 3 332.488 3.304 20 10 EGCDHN COc1cccc([C@H](C[NH2+][C@H](C)c2cc(F)ccc2[O-])N(C)C)c1 ZINC000176980339 454806810 /nfs/dbraw/zinc/80/68/10/454806810.db2.gz ZCGULYVWPAOIKV-ACJLOTCBSA-N 0 3 332.419 3.493 20 10 EGCDHN CCc1noc(C)c1CN1CCCN(c2ccc(OC)cc2)CC1 ZINC000163068048 454820920 /nfs/dbraw/zinc/82/09/20/454820920.db2.gz CMRNKGYWJQIBOQ-UHFFFAOYSA-N 0 3 329.444 3.266 20 10 EGCDHN C[C@H](CN1CCCC1=O)N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000178490796 454956817 /nfs/dbraw/zinc/95/68/17/454956817.db2.gz IDWDAOITDSXNBB-CVEARBPZSA-N 0 3 347.478 3.478 20 10 EGCDHN CC[C@H]([NH2+]CCCc1nnc2n1CCCCC2)c1ccccc1[O-] ZINC000155593266 455020475 /nfs/dbraw/zinc/02/04/75/455020475.db2.gz ZJGGGCQDLPAYNF-INIZCTEOSA-N 0 3 328.460 3.384 20 10 EGCDHN CC[C@H]([NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1)c1ccccc1[O-] ZINC000155595173 455020542 /nfs/dbraw/zinc/02/05/42/455020542.db2.gz ROHKWWIXGRJBJJ-DYVFJYSZSA-N 0 3 348.468 3.102 20 10 EGCDHN Cc1cccc(C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c1[O-] ZINC000179767189 455076419 /nfs/dbraw/zinc/07/64/19/455076419.db2.gz YMPKHNSCNRYGDD-HNNXBMFYSA-N 0 3 330.472 3.171 20 10 EGCDHN CN(C[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1)C(=O)OC(C)(C)C ZINC000180075557 455127809 /nfs/dbraw/zinc/12/78/09/455127809.db2.gz CFBVOKGGQKVMIK-ZDUSSCGKSA-N 0 3 338.423 3.220 20 10 EGCDHN CN(C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1)C(=O)OC(C)(C)C ZINC000180075557 455127817 /nfs/dbraw/zinc/12/78/17/455127817.db2.gz CFBVOKGGQKVMIK-ZDUSSCGKSA-N 0 3 338.423 3.220 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]CC[C@](C)(O)c2ccccc2)c1[O-] ZINC000190275077 455292655 /nfs/dbraw/zinc/29/26/55/455292655.db2.gz UMPURZDOGLILDF-SFHVURJKSA-N 0 3 335.831 3.442 20 10 EGCDHN CCCCNC(=O)c1ccc(CNCc2cc(OC)ccc2O)cc1 ZINC000183043467 455215695 /nfs/dbraw/zinc/21/56/95/455215695.db2.gz AIQFGBSNEQEFPW-UHFFFAOYSA-N 0 3 342.439 3.221 20 10 EGCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000183440077 455293042 /nfs/dbraw/zinc/29/30/42/455293042.db2.gz WYVHBKLCQILMMX-KBPBESRZSA-N 0 3 348.468 3.054 20 10 EGCDHN C[C@@H]([NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccccc1[O-] ZINC000183524258 455302745 /nfs/dbraw/zinc/30/27/45/455302745.db2.gz HCKOGEHAXPVEBH-BDJLRTHQSA-N 0 3 349.814 3.201 20 10 EGCDHN Cc1cncc([C@@H](C)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000184286561 455369012 /nfs/dbraw/zinc/36/90/12/455369012.db2.gz OELNHYPVCOUAKK-OAHLLOKOSA-N 0 3 329.419 3.217 20 10 EGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](c2ccccc2)N2CCOCC2)c1 ZINC000184919100 455472788 /nfs/dbraw/zinc/47/27/88/455472788.db2.gz WJOPDPOAIWBJPH-XLIONFOSSA-N 0 3 340.467 3.425 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]CCCS(=O)(=O)Cc2ccccc2)c([O-])c1 ZINC000185086945 455499046 /nfs/dbraw/zinc/49/90/46/455499046.db2.gz DTUBFFDSDAETSM-INIZCTEOSA-N 0 3 347.480 3.356 20 10 EGCDHN O=C(NCCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])C1CCC1 ZINC000267164879 455509646 /nfs/dbraw/zinc/50/96/46/455509646.db2.gz GQGFMGMLNAFBJL-UHFFFAOYSA-N 0 3 338.451 3.455 20 10 EGCDHN COCCN1CCC([NH2+][C@H](C)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000185145075 455510162 /nfs/dbraw/zinc/51/01/62/455510162.db2.gz VQJPFZMSEPUIES-OAHLLOKOSA-N 0 3 332.488 3.032 20 10 EGCDHN COc1ccc(O)c([C@@H](C)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000185170582 455515365 /nfs/dbraw/zinc/51/53/65/455515365.db2.gz SLYCQUIVWFKGEH-QWHCGFSZSA-N 0 3 349.452 3.216 20 10 EGCDHN CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2cc(C)ccc2[O-])[C@H](C)C1 ZINC000185461109 455560681 /nfs/dbraw/zinc/56/06/81/455560681.db2.gz OFZSCEKHRUMHMI-AOIWGVFYSA-N 0 3 334.504 3.488 20 10 EGCDHN CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cc(OC)ccc2[O-])C1 ZINC000185657481 455590743 /nfs/dbraw/zinc/59/07/43/455590743.db2.gz HMXMNKSIYNVACK-MYQFPRQMSA-N 0 3 325.474 3.131 20 10 EGCDHN CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000271473385 455650853 /nfs/dbraw/zinc/65/08/53/455650853.db2.gz KZXPFRZLCBNACC-ZMZPIMSZSA-N 0 3 333.359 3.126 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+]CC2(N3CCCCC3)CCOCC2)c1 ZINC000186019261 455677021 /nfs/dbraw/zinc/67/70/21/455677021.db2.gz YGOCQQSDBMIUQZ-INIZCTEOSA-N 0 3 348.487 3.087 20 10 EGCDHN COc1ccccc1N1CC[C@H](N[C@@H](C)c2cc(C)ccc2O)C1=O ZINC000186102029 455694630 /nfs/dbraw/zinc/69/46/30/455694630.db2.gz XMUGTEXEUIPZFH-HOCLYGCPSA-N 0 3 340.423 3.165 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)c([O-])c1 ZINC000186191098 455712709 /nfs/dbraw/zinc/71/27/09/455712709.db2.gz IGIAACNPWSPPHL-AEFFLSMTSA-N 0 3 338.451 3.400 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCCn2cnc3ccccc32)c1 ZINC000192931041 455720973 /nfs/dbraw/zinc/72/09/73/455720973.db2.gz VIRVLHBKJCQRBL-CQSZACIVSA-N 0 3 325.412 3.491 20 10 EGCDHN CC(C)n1cnnc1[C@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC000193438580 455759124 /nfs/dbraw/zinc/75/91/24/455759124.db2.gz BEDWFJKSPOFCSA-KRWDZBQOSA-N 0 3 327.476 3.305 20 10 EGCDHN COC(=O)COc1ccc([C@H](C)NCc2ccc(N(C)C)cc2)cc1 ZINC000193559141 455764364 /nfs/dbraw/zinc/76/43/64/455764364.db2.gz GYFVIOYZNPEDFE-HNNXBMFYSA-N 0 3 342.439 3.155 20 10 EGCDHN Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CCCN(c3ccnn3C)C2)c([O-])c1 ZINC000284960455 455768104 /nfs/dbraw/zinc/76/81/04/455768104.db2.gz FKZOVSHZLAJMAG-CVEARBPZSA-N 0 3 328.460 3.062 20 10 EGCDHN CNC(=O)CCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000293674096 455795000 /nfs/dbraw/zinc/79/50/00/455795000.db2.gz JXSGINRQXLLTCK-SFHVURJKSA-N 0 3 326.440 3.182 20 10 EGCDHN C[C@@H]([NH2+][C@@H](C)CCN1CCN(C)CC1)c1ccc2ccccc2c1[O-] ZINC000186600805 455803322 /nfs/dbraw/zinc/80/33/22/455803322.db2.gz URJBCQANEPUAHX-DLBZAZTESA-N 0 3 341.499 3.222 20 10 EGCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000294355333 455812748 /nfs/dbraw/zinc/81/27/48/455812748.db2.gz QACPZVAWUZRKNT-WSTZPKSXSA-N 0 3 341.451 3.196 20 10 EGCDHN CN(C)c1ccc(CN2CCC[C@@H](CC(C)(C)C(N)=O)C2)cc1F ZINC000294895540 455831474 /nfs/dbraw/zinc/83/14/74/455831474.db2.gz WVRIZDOWPMRGPN-HNNXBMFYSA-N 0 3 335.467 3.005 20 10 EGCDHN COc1c([O-])c(CNc2ccc(C)cc2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000278912580 455852863 /nfs/dbraw/zinc/85/28/63/455852863.db2.gz SSLKAHODUORCMM-UHFFFAOYSA-N 0 3 345.399 3.291 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C2CCN(C)CC2)c1[O-] ZINC000186946864 455855142 /nfs/dbraw/zinc/85/51/42/455855142.db2.gz KZWGUOCSJOCCDI-LLVKDONJSA-N 0 3 327.266 3.208 20 10 EGCDHN [O-]c1ccccc1C[N@H+](CC[C@@H](O)c1ccccc1)C[C@H]1CCCO1 ZINC000285611270 455882101 /nfs/dbraw/zinc/88/21/01/455882101.db2.gz MDQGYJRFQOILHX-TZIWHRDSSA-N 0 3 341.451 3.497 20 10 EGCDHN [O-]c1ccccc1C[N@@H+](CC[C@@H](O)c1ccccc1)C[C@H]1CCCO1 ZINC000285611270 455882105 /nfs/dbraw/zinc/88/21/05/455882105.db2.gz MDQGYJRFQOILHX-TZIWHRDSSA-N 0 3 341.451 3.497 20 10 EGCDHN CN(Cc1cccs1)c1ccc(CNC[C@@H](O)C(F)(F)F)cc1 ZINC000296294535 455902439 /nfs/dbraw/zinc/90/24/39/455902439.db2.gz FSWOVAVZOONPBL-OAHLLOKOSA-N 0 3 344.402 3.397 20 10 EGCDHN CCO[C@H](C[NH2+]Cc1cc(OC)c(OC)cc1[O-])c1ccccc1 ZINC000195188610 455931044 /nfs/dbraw/zinc/93/10/44/455931044.db2.gz ZEXXLNDIMDSUPP-LJQANCHMSA-N 0 3 331.412 3.277 20 10 EGCDHN C[C@H](CO[C@@H]1CCOC1)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000280283801 455935825 /nfs/dbraw/zinc/93/58/25/455935825.db2.gz MYMLRFLCNZWNBG-IUODEOHRSA-N 0 3 346.393 3.055 20 10 EGCDHN CC[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(C)cc1[O-] ZINC000280293719 455938786 /nfs/dbraw/zinc/93/87/86/455938786.db2.gz ZJOVCPGOTLUGJI-QFBILLFUSA-N 0 3 332.488 3.242 20 10 EGCDHN COc1cc([O-])c(C[NH2+][C@@H](C)[C@@H](OC)c2ccccc2F)cc1OC ZINC000272453284 455955691 /nfs/dbraw/zinc/95/56/91/455955691.db2.gz WNCMCMNLIHDTCG-HXPMCKFVSA-N 0 3 349.402 3.414 20 10 EGCDHN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000272621798 456017102 /nfs/dbraw/zinc/01/71/02/456017102.db2.gz LYQKTNIFSJZIFQ-OLZOCXBDSA-N 0 3 338.423 3.266 20 10 EGCDHN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000272621798 456017108 /nfs/dbraw/zinc/01/71/08/456017108.db2.gz LYQKTNIFSJZIFQ-OLZOCXBDSA-N 0 3 338.423 3.266 20 10 EGCDHN CC[C@@H]([NH2+][C@H]1CCCN(C(=O)N2CCCC2)C1)c1ccccc1[O-] ZINC000287394479 456068473 /nfs/dbraw/zinc/06/84/73/456068473.db2.gz IUZPPEXLYBRYLS-DOTOQJQBSA-N 0 3 331.460 3.113 20 10 EGCDHN CC[C@H]([NH2+]Cc1ccncc1OC[C@@H]1CCOC1)c1ccccc1[O-] ZINC000287449216 456069167 /nfs/dbraw/zinc/06/91/67/456069167.db2.gz UXVKWGJJBGMOLB-QAPCUYQASA-N 0 3 342.439 3.443 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)c([O-])c1 ZINC000287593076 456073751 /nfs/dbraw/zinc/07/37/51/456073751.db2.gz RSMMJKLINOXOQA-JKSUJKDBSA-N 0 3 331.460 3.031 20 10 EGCDHN C[C@@H](NCC(=O)NCC(F)F)c1ccc(N2CCCCCC2)cc1 ZINC000280919490 456081450 /nfs/dbraw/zinc/08/14/50/456081450.db2.gz QXPVSDMNAIBIBA-CQSZACIVSA-N 0 3 339.430 3.099 20 10 EGCDHN COc1ccc([C@H](CN(C)C)[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000297252514 456162626 /nfs/dbraw/zinc/16/26/26/456162626.db2.gz JKMWXVGFBBDQDN-MSOLQXFVSA-N 0 3 326.440 3.281 20 10 EGCDHN CCOc1cccc(CN2CCC[C@](O)(C(F)(F)F)CC2)c1O ZINC000289926624 456185293 /nfs/dbraw/zinc/18/52/93/456185293.db2.gz XTAQKGDZFODJJD-OAHLLOKOSA-N 0 3 333.350 3.070 20 10 EGCDHN CCOc1cccc(C[NH2+]C[C@]2(C)OCCc3sccc32)c1[O-] ZINC000289946134 456191494 /nfs/dbraw/zinc/19/14/94/456191494.db2.gz XFNWHHBCJZDYBP-SFHVURJKSA-N 0 3 333.453 3.430 20 10 EGCDHN C[C@H]([NH2+]Cc1ccnc(OC2CCOCC2)c1)c1cc(F)ccc1[O-] ZINC000273363310 456225895 /nfs/dbraw/zinc/22/58/95/456225895.db2.gz AVJLNUCOIDPZGY-ZDUSSCGKSA-N 0 3 346.402 3.335 20 10 EGCDHN C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccc2c(c1)CC(=O)N2C ZINC000273574610 456238915 /nfs/dbraw/zinc/23/89/15/456238915.db2.gz LKFMQNMKOWRAQG-RYUDHWBXSA-N 0 3 328.387 3.462 20 10 EGCDHN C[C@H](NCc1ccccc1N(C)C)c1ccc(N2CCOCC2)cc1 ZINC000263862727 456247852 /nfs/dbraw/zinc/24/78/52/456247852.db2.gz WVRDGZJVWCBLSV-KRWDZBQOSA-N 0 3 339.483 3.440 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+](C)[C@@H]2CCN(C)C[C@H]2C)c1[O-] ZINC000290320600 456291011 /nfs/dbraw/zinc/29/10/11/456291011.db2.gz CYHSZPVKBRXJQL-IUODEOHRSA-N 0 3 341.293 3.235 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+](C)[C@@H]2CCN(C)C[C@H]2C)c1[O-] ZINC000290320600 456291019 /nfs/dbraw/zinc/29/10/19/456291019.db2.gz CYHSZPVKBRXJQL-IUODEOHRSA-N 0 3 341.293 3.235 20 10 EGCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2Cn2cnc3ccccc32)c1 ZINC000290523218 456353154 /nfs/dbraw/zinc/35/31/54/456353154.db2.gz QDFOODQWQNSXJN-MRXNPFEDSA-N 0 3 337.423 3.415 20 10 EGCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H]2Cn2cnc3ccccc32)c1 ZINC000290523218 456353160 /nfs/dbraw/zinc/35/31/60/456353160.db2.gz QDFOODQWQNSXJN-MRXNPFEDSA-N 0 3 337.423 3.415 20 10 EGCDHN CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3[O-])C[C@@H]2C1 ZINC000290980355 456485929 /nfs/dbraw/zinc/48/59/29/456485929.db2.gz UAOYXIYKSGOKPU-GOEBONIOSA-N 0 3 332.444 3.081 20 10 EGCDHN CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3[O-])C[C@@H]2C1 ZINC000290980355 456485939 /nfs/dbraw/zinc/48/59/39/456485939.db2.gz UAOYXIYKSGOKPU-GOEBONIOSA-N 0 3 332.444 3.081 20 10 EGCDHN C[C@@H]1CN(c2ccccc2CNCc2ccc(N(C)C)cc2)CCO1 ZINC000298399534 456445841 /nfs/dbraw/zinc/44/58/41/456445841.db2.gz LSQYXLYCOZESRM-QGZVFWFLSA-N 0 3 339.483 3.268 20 10 EGCDHN C[C@H](N[C@@H](C)c1ccc(N2CCCCCC2)cc1)C(=O)NCCF ZINC000282946779 456672068 /nfs/dbraw/zinc/67/20/68/456672068.db2.gz ZBQPJFWDTHVUFP-HOTGVXAUSA-N 0 3 335.467 3.192 20 10 EGCDHN CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000277415653 456816758 /nfs/dbraw/zinc/81/67/58/456816758.db2.gz GUYUPFBGISIEGO-SFHVURJKSA-N 0 3 345.487 3.331 20 10 EGCDHN Cc1c2ccccc2n(C)c1CNC(=O)NCCN1CCC[C@H](C)C1 ZINC000349382833 456960270 /nfs/dbraw/zinc/96/02/70/456960270.db2.gz UMVUWXSOMSLBEK-HNNXBMFYSA-N 0 3 342.487 3.018 20 10 EGCDHN Cc1c2ccccc2n(C)c1CN[C@H](C)c1ccc(-n2cnnn2)cc1 ZINC000358983010 457044129 /nfs/dbraw/zinc/04/41/29/457044129.db2.gz HWJFCUHOTWKFJU-OAHLLOKOSA-N 0 3 346.438 3.313 20 10 EGCDHN CCN(C)c1ccc([C@H](C)N[C@H]2CCCc3c2cnn3CCO)cc1 ZINC000363832469 457454226 /nfs/dbraw/zinc/45/42/26/457454226.db2.gz SDNNZWVESWQRHS-KXBFYZLASA-N 0 3 342.487 3.060 20 10 EGCDHN COc1cccc(C[NH2+]C[C@H]2CCCN(c3ccccc3)C2)c1[O-] ZINC000365503320 457763039 /nfs/dbraw/zinc/76/30/39/457763039.db2.gz DXCWNYRSJSPESO-MRXNPFEDSA-N 0 3 326.440 3.407 20 10 EGCDHN CC[C@@H](N[C@H]1CCCc2c1cnn2CCO)c1ccc(N(C)C)cc1 ZINC000368564785 458045210 /nfs/dbraw/zinc/04/52/10/458045210.db2.gz VSMYVYCEAAXKMB-MOPGFXCFSA-N 0 3 342.487 3.060 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C3CCOCC3)C2)c1[O-] ZINC000371845592 458093896 /nfs/dbraw/zinc/09/38/96/458093896.db2.gz GIUKKFHLUCBREN-ZDUSSCGKSA-N 0 3 325.836 3.303 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H](C3CCOCC3)C2)c1[O-] ZINC000371845592 458093904 /nfs/dbraw/zinc/09/39/04/458093904.db2.gz GIUKKFHLUCBREN-ZDUSSCGKSA-N 0 3 325.836 3.303 20 10 EGCDHN C[C@H]1OCC[C@]12C[N@H+](Cc1c([O-])ccc3ccccc31)C[C@@H](C)O2 ZINC000369383697 458198453 /nfs/dbraw/zinc/19/84/53/458198453.db2.gz NAFKJPKAMBNHEI-SXGZJXTBSA-N 0 3 327.424 3.314 20 10 EGCDHN C[C@H]1OCC[C@]12C[N@@H+](Cc1c([O-])ccc3ccccc31)C[C@@H](C)O2 ZINC000369383697 458198458 /nfs/dbraw/zinc/19/84/58/458198458.db2.gz NAFKJPKAMBNHEI-SXGZJXTBSA-N 0 3 327.424 3.314 20 10 EGCDHN Cc1c2ccccc2n(C)c1CNC(=O)N(C)CC1(N(C)C)CCC1 ZINC000472289431 458781915 /nfs/dbraw/zinc/78/19/15/458781915.db2.gz BITSEDCTMZGOKR-UHFFFAOYSA-N 0 3 342.487 3.112 20 10 EGCDHN C[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)[C@H](N)c1ccccc1 ZINC000178710660 547040091 /nfs/dbraw/zinc/04/00/91/547040091.db2.gz AITKHVXJWIWNQB-JXFKEZNVSA-N 0 3 337.467 3.239 20 10 EGCDHN O=[N+]([O-])c1cc(CNCC2(O)CCCCC2)ccc1N1CCCCC1 ZINC000726606241 574563586 /nfs/dbraw/zinc/56/35/86/574563586.db2.gz WRJCWTRDZVNWHU-UHFFFAOYSA-N 0 3 347.459 3.370 20 10 EGCDHN Fc1cc(CNCc2cc3ccccc3[nH]2)ccc1N1CCOCC1 ZINC000727468397 574669899 /nfs/dbraw/zinc/66/98/99/574669899.db2.gz KLPODPOUMBZCLD-UHFFFAOYSA-N 0 3 339.414 3.433 20 10 EGCDHN CCN1CCCC[C@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000729346338 574844681 /nfs/dbraw/zinc/84/46/81/574844681.db2.gz QDJRDNVCSSNVPN-IBGZPJMESA-N 0 3 329.488 3.168 20 10 EGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@H]1CN2CCC[C@@H]2CO1 ZINC000729683583 574879076 /nfs/dbraw/zinc/87/90/76/574879076.db2.gz PESXBIGJRZHQII-UXHICEINSA-N 0 3 338.451 3.012 20 10 EGCDHN Oc1cc2c(cc1CN1CCCO[C@H](c3ccccc3)C1)OCO2 ZINC000729853159 574891010 /nfs/dbraw/zinc/89/10/10/574891010.db2.gz ZKUBMPLPTQUTNF-IBGZPJMESA-N 0 3 327.380 3.085 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCCO[C@H](c3ccccc3)C1)OCO2 ZINC000729853159 574891012 /nfs/dbraw/zinc/89/10/12/574891012.db2.gz ZKUBMPLPTQUTNF-IBGZPJMESA-N 0 3 327.380 3.085 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CCCO[C@H](c3ccccc3)C1)OCO2 ZINC000729853159 574891013 /nfs/dbraw/zinc/89/10/13/574891013.db2.gz ZKUBMPLPTQUTNF-IBGZPJMESA-N 0 3 327.380 3.085 20 10 EGCDHN CCOc1ccc(O)c(CN[C@H]2CCOc3c(OC)cccc32)c1 ZINC000733332355 575329055 /nfs/dbraw/zinc/32/90/55/575329055.db2.gz UIXIABNYUVZCOX-INIZCTEOSA-N 0 3 329.396 3.413 20 10 EGCDHN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000741722786 576713689 /nfs/dbraw/zinc/71/36/89/576713689.db2.gz RVXFWQMPNLJNEP-GJZGRUSLSA-N 0 3 331.485 3.368 20 10 EGCDHN CC[C@H](C(=O)NCc1ccc(N(CC)CC)c(F)c1)N(CC)CC ZINC000742253040 576762729 /nfs/dbraw/zinc/76/27/29/576762729.db2.gz GNDMZRDHIHIYEK-QGZVFWFLSA-N 0 3 337.483 3.409 20 10 EGCDHN [O-]c1cc(Br)ccc1CN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000691498373 1298133465 /nfs/dbraw/zinc/13/34/65/1298133465.db2.gz SRGRSXMCYRIPFT-LSDHHAIUSA-N 0 3 339.277 3.261 20 10 EGCDHN CC[NH+](CC)C1CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000691676135 1298135950 /nfs/dbraw/zinc/13/59/50/1298135950.db2.gz LJSGJZFCMPUHQB-UHFFFAOYSA-N 0 3 341.293 3.461 20 10 EGCDHN CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000827751878 1292365695 /nfs/dbraw/zinc/36/56/95/1292365695.db2.gz XRGTWFMULLRGAL-YOEHRIQHSA-N 0 3 341.835 3.266 20 10 EGCDHN COC(=O)c1cc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)c[nH]1 ZINC000093319304 1292915576 /nfs/dbraw/zinc/91/55/76/1292915576.db2.gz ROQCOCXOAGCWBU-UHFFFAOYSA-N 0 3 328.412 3.452 20 10 EGCDHN COC(=O)c1cc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)c[nH]1 ZINC000093319304 1292915588 /nfs/dbraw/zinc/91/55/88/1292915588.db2.gz ROQCOCXOAGCWBU-UHFFFAOYSA-N 0 3 328.412 3.452 20 10 EGCDHN CCOc1ccc(O)c(CN(C)[C@@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000093360315 1292919130 /nfs/dbraw/zinc/91/91/30/1292919130.db2.gz KJLHHMIRCAAAKC-ZDUSSCGKSA-N 0 3 338.448 3.136 20 10 EGCDHN Oc1cccc2c1CC[C@@H]2NCc1ccc(N2CCOCC2)c(F)c1 ZINC000105486249 1293038694 /nfs/dbraw/zinc/03/86/94/1293038694.db2.gz LDGSYBFZNVZXAX-SFHVURJKSA-N 0 3 342.414 3.145 20 10 EGCDHN [O-]c1cccc2c1[C@H]([NH2+]CC1(N3CCSCC3)CCCC1)CC2 ZINC000834508589 1293107545 /nfs/dbraw/zinc/10/75/45/1293107545.db2.gz NYFJBECCVYETJS-MRXNPFEDSA-N 0 3 332.513 3.331 20 10 EGCDHN O=C1[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCN1c1ccccc1Cl ZINC000834645881 1293126653 /nfs/dbraw/zinc/12/66/53/1293126653.db2.gz PLYXCVHECZCSLG-HUUCEWRRSA-N 0 3 342.826 3.428 20 10 EGCDHN CC[C@@H]([NH2+]Cc1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1[O-] ZINC000834883031 1293163654 /nfs/dbraw/zinc/16/36/54/1293163654.db2.gz GVGMFECQYMJIMK-QGZVFWFLSA-N 0 3 333.453 3.345 20 10 EGCDHN C[C@H]([NH2+][C@@H]1C[C@H](OC(C)(C)C)[C@@H]1n1cccn1)c1ccccc1[O-] ZINC000834903103 1293170130 /nfs/dbraw/zinc/17/01/30/1293170130.db2.gz IVXRARPZGISBPU-UNQWWWNPSA-N 0 3 329.444 3.437 20 10 EGCDHN Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000834912613 1293175422 /nfs/dbraw/zinc/17/54/22/1293175422.db2.gz SQKMMZUWOUUDKE-ITDIGPHOSA-N 0 3 343.402 3.400 20 10 EGCDHN C[C@H](NC[C@@H]1CC[C@@H](C)O1)c1ccc(N2CCOCC2)cc1Cl ZINC000834915987 1293175997 /nfs/dbraw/zinc/17/59/97/1293175997.db2.gz WDGZRLQTEPCVMO-YCPHGPKFSA-N 0 3 338.879 3.395 20 10 EGCDHN C[C@H](N[C@@H]1C[C@H]2CCCCN2C1=O)c1ccc(N2CCCCC2)cc1 ZINC000834916380 1293176056 /nfs/dbraw/zinc/17/60/56/1293176056.db2.gz WWJNRSGKURTDSB-PWIZWCRZSA-N 0 3 341.499 3.481 20 10 EGCDHN Cc1cc(CN2CCCN(C(=O)C3CC3)CC2)c(O)c(C(C)(C)C)c1 ZINC000129956950 1293639532 /nfs/dbraw/zinc/63/95/32/1293639532.db2.gz NNEOEOMXGBTWAH-UHFFFAOYSA-N 0 3 344.499 3.442 20 10 EGCDHN CCOCCO[C@H]1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000138497167 1293836324 /nfs/dbraw/zinc/83/63/24/1293836324.db2.gz DWFKIKHBLPONLM-INIZCTEOSA-N 0 3 337.460 3.023 20 10 EGCDHN Cc1ncc([C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(C)n1 ZINC000155305270 1294092793 /nfs/dbraw/zinc/09/27/93/1294092793.db2.gz WLNZKNSYZKCEBP-LSDHHAIUSA-N 0 3 340.471 3.342 20 10 EGCDHN O[C@@](CNCc1ccc2c(c1)CCO2)(c1ccccc1)C(F)(F)F ZINC000170790620 1294381873 /nfs/dbraw/zinc/38/18/73/1294381873.db2.gz NLDZORGRBMHAAB-KRWDZBQOSA-N 0 3 337.341 3.161 20 10 EGCDHN COc1cccc([C@@H](C)N2CCN(Cc3ccccc3O)CC2)c1 ZINC000179570085 1294804813 /nfs/dbraw/zinc/80/48/13/1294804813.db2.gz KQPWONSMKOYAGW-MRXNPFEDSA-N 0 3 326.440 3.280 20 10 EGCDHN C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)c1ccccc1[O-] ZINC000179896358 1294838210 /nfs/dbraw/zinc/83/82/10/1294838210.db2.gz AMMMUYXBVKTBPO-NSHDSACASA-N 0 3 349.228 3.444 20 10 EGCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000180698750 1294908944 /nfs/dbraw/zinc/90/89/44/1294908944.db2.gz NPOVASPIPBJZIO-HNNXBMFYSA-N 0 3 329.293 3.373 20 10 EGCDHN Oc1cc2c(cc1CN1CC[C@@H](c3c(F)cccc3F)C1)OCO2 ZINC000184326125 1295189683 /nfs/dbraw/zinc/18/96/83/1295189683.db2.gz VFUGVEKLBATEOD-LLVKDONJSA-N 0 3 333.334 3.389 20 10 EGCDHN C[C@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1cc(F)ccc1[O-] ZINC000185063479 1295237983 /nfs/dbraw/zinc/23/79/83/1295237983.db2.gz QYEASPDHOYHVTN-HNNXBMFYSA-N 0 3 344.430 3.214 20 10 EGCDHN CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1cccc(O)c1[O-] ZINC000188311564 1295450349 /nfs/dbraw/zinc/45/03/49/1295450349.db2.gz DULWXKONKUXUKB-UHFFFAOYSA-N 0 3 342.439 3.082 20 10 EGCDHN C[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])CC[C@@H]1O ZINC000190045728 1295559270 /nfs/dbraw/zinc/55/92/70/1295559270.db2.gz QYQATGIICBHXJU-KXBFYZLASA-N 0 3 327.424 3.174 20 10 EGCDHN C[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])CC[C@@H]1O ZINC000190045728 1295559282 /nfs/dbraw/zinc/55/92/82/1295559282.db2.gz QYQATGIICBHXJU-KXBFYZLASA-N 0 3 327.424 3.174 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+](CCCCO)C2CC2)c1[O-] ZINC000305756767 1297043548 /nfs/dbraw/zinc/04/35/48/1297043548.db2.gz BELVHACRWVYGDG-UHFFFAOYSA-N 0 3 328.250 3.200 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+](CCCCO)C2CC2)c1[O-] ZINC000305756767 1297043537 /nfs/dbraw/zinc/04/35/37/1297043537.db2.gz BELVHACRWVYGDG-UHFFFAOYSA-N 0 3 328.250 3.200 20 10 EGCDHN CC[C@@H]([NH2+]C[C@H](C)CN(C)C)c1cc(Br)ccc1[O-] ZINC000388708247 1297604830 /nfs/dbraw/zinc/60/48/30/1297604830.db2.gz XBCSCTLVWLFDMF-SMDDNHRTSA-N 0 3 329.282 3.393 20 10 EGCDHN CC(C)N1CC[C@@H](C[NH2+]Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715830096 1298288442 /nfs/dbraw/zinc/28/84/42/1298288442.db2.gz WTDDRPGRXFZAOV-NSHDSACASA-N 0 3 345.256 3.114 20 10 EGCDHN O=C(C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])NCc1ccccc1 ZINC000725849765 1298375191 /nfs/dbraw/zinc/37/51/91/1298375191.db2.gz RNURLLZENVMMAP-UHFFFAOYSA-N 0 3 346.430 3.465 20 10 EGCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000876559316 1298828705 /nfs/dbraw/zinc/82/87/05/1298828705.db2.gz YEJYCQATDXHJPN-INIZCTEOSA-N 0 3 340.471 3.398 20 10 EGCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000876559316 1298828720 /nfs/dbraw/zinc/82/87/20/1298828720.db2.gz YEJYCQATDXHJPN-INIZCTEOSA-N 0 3 340.471 3.398 20 10 EGCDHN Cc1ccc(C[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000876994122 1299105440 /nfs/dbraw/zinc/10/54/40/1299105440.db2.gz ACCFTJCGYGYSSI-UHFFFAOYSA-N 0 3 334.460 3.437 20 10 EGCDHN Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)c([O-])c1 ZINC000877505544 1299353747 /nfs/dbraw/zinc/35/37/47/1299353747.db2.gz VHQQWFZZGBTLLT-QGZVFWFLSA-N 0 3 325.412 3.097 20 10 EGCDHN Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000877574385 1299409476 /nfs/dbraw/zinc/40/94/76/1299409476.db2.gz HVZODKFZYBFQQH-GOEBONIOSA-N 0 3 334.460 3.484 20 10 EGCDHN C[C@@H]([NH2+]C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2)c1ccccc1[O-] ZINC000877755908 1299532679 /nfs/dbraw/zinc/53/26/79/1299532679.db2.gz SFQLTLSMLFGDCN-PJIJBLCYSA-N 0 3 332.444 3.300 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C[C@H](O)c1ccco1 ZINC000753546652 1299970586 /nfs/dbraw/zinc/97/05/86/1299970586.db2.gz KBWFKHRIKCKHPX-IBGZPJMESA-N 0 3 339.391 3.387 20 10 EGCDHN C[C@](O)(C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])C1CC1 ZINC000753566456 1299974864 /nfs/dbraw/zinc/97/48/64/1299974864.db2.gz QOBTZZWJOSVFRY-FQEVSTJZSA-N 0 3 327.424 3.222 20 10 EGCDHN CC(C)CN1CCO[C@H](C[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)C1 ZINC000756355669 1300474317 /nfs/dbraw/zinc/47/43/17/1300474317.db2.gz QQKOHZUTQBEGMM-SQWLQELKSA-N 0 3 336.451 3.026 20 10 EGCDHN COc1ccc(O)c([C@@H](C)NCc2cccc3c2OCCCO3)c1 ZINC000756761010 1300560968 /nfs/dbraw/zinc/56/09/68/1300560968.db2.gz SREDEQJUDWJLQG-CYBMUJFWSA-N 0 3 329.396 3.413 20 10 EGCDHN COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N[C@H](C)c2ccccc2O)c1C ZINC000879648406 1300647943 /nfs/dbraw/zinc/64/79/43/1300647943.db2.gz NPGDJQVLKJTBGY-DGCLKSJQSA-N 0 3 344.411 3.046 20 10 EGCDHN C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21)c1ccccc1[O-] ZINC000879649147 1300649341 /nfs/dbraw/zinc/64/93/41/1300649341.db2.gz MTZXFFYKMFRJNJ-JKIFEVAISA-N 0 3 340.423 3.071 20 10 EGCDHN Cc1cccc(S(=O)(=O)CCC[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000879649558 1300650165 /nfs/dbraw/zinc/65/01/65/1300650165.db2.gz WDNJPIUAJMUERO-OAHLLOKOSA-N 0 3 333.453 3.215 20 10 EGCDHN CC[C@H](NCc1ccc2c(c1)C(=O)NCC2)c1ccc(N(C)C)cc1 ZINC000757660211 1300706477 /nfs/dbraw/zinc/70/64/77/1300706477.db2.gz BPXDDYBKOWOCJS-FQEVSTJZSA-N 0 3 337.467 3.279 20 10 EGCDHN [O-]c1ccccc1C[NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000758578201 1300916053 /nfs/dbraw/zinc/91/60/53/1300916053.db2.gz BSMFZNIXKQMQBP-VQTJNVASSA-N 0 3 329.415 3.395 20 10 EGCDHN CCOc1ccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)c([O-])c1 ZINC000762613944 1301713195 /nfs/dbraw/zinc/71/31/95/1301713195.db2.gz LHPHDNQNBSAQRY-FVQBIDKESA-N 0 3 325.499 3.260 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCC2CC(O)C2)c1[O-] ZINC000762649127 1301721614 /nfs/dbraw/zinc/72/16/14/1301721614.db2.gz MBLLWFGTWHLXHL-XSRFYTQQSA-N 0 3 328.250 3.275 20 10 EGCDHN COc1cc(Br)cc(C[NH2+][C@H]2CCC(F)(F)C2)c1[O-] ZINC000763521236 1301919364 /nfs/dbraw/zinc/91/93/64/1301919364.db2.gz LUEPFFXJIVETFB-JTQLQIEISA-N 0 3 336.176 3.441 20 10 EGCDHN CC(C)c1cnc(CNCc2ccc(N3CCN(C)CC3)cc2)s1 ZINC000883283530 1302359657 /nfs/dbraw/zinc/35/96/57/1302359657.db2.gz ITUNGFNOCIHEKI-UHFFFAOYSA-N 0 3 344.528 3.308 20 10 EGCDHN CO[C@@H](CN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl)C(C)C ZINC000766365451 1302439560 /nfs/dbraw/zinc/43/95/60/1302439560.db2.gz FWSLVBKZXDWDMX-KSSFIOAISA-N 0 3 340.895 3.498 20 10 EGCDHN CCN(Cc1c(O)cccc1OC)C[C@H]1COc2ccccc2O1 ZINC000768180750 1302847273 /nfs/dbraw/zinc/84/72/73/1302847273.db2.gz OVIDQVUOJZALRO-AWEZNQCLSA-N 0 3 329.396 3.063 20 10 EGCDHN COc1cccc(O)c1CN(C)Cc1cc(OC)c(OC)cc1C ZINC000768196297 1302853610 /nfs/dbraw/zinc/85/36/10/1302853610.db2.gz BBQPDIRWECWZIH-UHFFFAOYSA-N 0 3 331.412 3.358 20 10 EGCDHN CC(C)[N@H+](Cc1ccc(F)cc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768440272 1302904273 /nfs/dbraw/zinc/90/42/73/1302904273.db2.gz PWCQWFJMLDNWNC-GOSISDBHSA-N 0 3 331.387 3.368 20 10 EGCDHN CC(C)[N@@H+](Cc1ccc(F)cc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768440272 1302904282 /nfs/dbraw/zinc/90/42/82/1302904282.db2.gz PWCQWFJMLDNWNC-GOSISDBHSA-N 0 3 331.387 3.368 20 10 EGCDHN CCOc1ccc(O)c(CN2C[C@@H](CC)N(C(C)=O)C[C@@H]2CC)c1 ZINC000769498081 1303126731 /nfs/dbraw/zinc/12/67/31/1303126731.db2.gz FIZKFMDQZJSZEN-DLBZAZTESA-N 0 3 334.460 3.012 20 10 EGCDHN CCOC(=O)N(C)C1CCN(Cc2ccc(N(C)CC)cc2)CC1 ZINC000773748556 1303734067 /nfs/dbraw/zinc/73/40/67/1303734067.db2.gz NPQQHCKHEWODIA-UHFFFAOYSA-N 0 3 333.476 3.195 20 10 EGCDHN CC[C@@H]1CN(Cc2ccc(N(C)CC)cc2)[C@@H](CC)CN1C(C)=O ZINC000773754755 1303734911 /nfs/dbraw/zinc/73/49/11/1303734911.db2.gz NMOSBRNGYOQPIL-RBUKOAKNSA-N 0 3 331.504 3.364 20 10 EGCDHN CCN(C)c1ccc(CN[C@@H](CCO)c2ccc(OC)cc2)cc1 ZINC000773815218 1303740575 /nfs/dbraw/zinc/74/05/75/1303740575.db2.gz AALAQXUKRLULCN-FQEVSTJZSA-N 0 3 328.456 3.365 20 10 EGCDHN CCN(C)c1ccc(CN[C@@H](CC(=O)N(C)C)c2ccccc2)cc1 ZINC000773810759 1303740936 /nfs/dbraw/zinc/74/09/36/1303740936.db2.gz KVXFWDBCXNOACJ-FQEVSTJZSA-N 0 3 339.483 3.452 20 10 EGCDHN C[C@H]([NH2+]C[C@@H](CO)Cc1cc(F)c(F)c(F)c1)c1ccccc1[O-] ZINC000774396863 1303806321 /nfs/dbraw/zinc/80/63/21/1303806321.db2.gz NVURPGHYWCHYSS-AAEUAGOBSA-N 0 3 339.357 3.311 20 10 EGCDHN CC[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775508446 1303976252 /nfs/dbraw/zinc/97/62/52/1303976252.db2.gz CGGXYTFZGAMTTR-ZDUSSCGKSA-N 0 3 347.286 3.196 20 10 EGCDHN COc1ccc(O)c(CN2CCN(c3ccc(C)c(C)c3)CC2)c1 ZINC000775647950 1304003271 /nfs/dbraw/zinc/00/32/71/1304003271.db2.gz JDTMVFGNNPHEMQ-UHFFFAOYSA-N 0 3 326.440 3.340 20 10 EGCDHN COc1cccc([O-])c1C[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000775998725 1304077357 /nfs/dbraw/zinc/07/73/57/1304077357.db2.gz RYYYVRIXYWDZOK-UHFFFAOYSA-N 0 3 345.414 3.110 20 10 EGCDHN COc1ccc(C2(NCc3cc(OC)c(OC)cc3O)CC2)cc1 ZINC000776167362 1304104734 /nfs/dbraw/zinc/10/47/34/1304104734.db2.gz DCIVWBKFDYAERW-UHFFFAOYSA-N 0 3 329.396 3.197 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](O)c2ccco2)c1[O-] ZINC000779004320 1304516963 /nfs/dbraw/zinc/51/69/63/1304516963.db2.gz UQZLUOZQYBYOHY-GXFFZTMASA-N 0 3 340.217 3.440 20 10 EGCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccoc2Cl)N(C)C)cc1 ZINC000891249077 1305000060 /nfs/dbraw/zinc/00/00/60/1305000060.db2.gz PFLFYRQEZIRCFS-OAHLLOKOSA-N 0 3 335.835 3.032 20 10 EGCDHN Cc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC000891257868 1305001679 /nfs/dbraw/zinc/00/16/79/1305001679.db2.gz LEDBMKLLVHGLAI-INIZCTEOSA-N 0 3 331.485 3.155 20 10 EGCDHN Cc1ccc([C@H](C)NCc2ccc(S(C)(=O)=O)s2)c(O)c1 ZINC000786956517 1305665730 /nfs/dbraw/zinc/66/57/30/1305665730.db2.gz FYQLNTSDQPLARD-NSHDSACASA-N 0 3 325.455 3.016 20 10 EGCDHN CC(=O)Nc1ccc(C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)cn1 ZINC000788604529 1305980948 /nfs/dbraw/zinc/98/09/48/1305980948.db2.gz CERGMGYCFWGTNI-YGRLFVJLSA-N 0 3 329.375 3.223 20 10 EGCDHN COc1cc(C)cc(CNC(C)(C)C(=O)Nc2ccccc2)c1O ZINC000894251902 1306302991 /nfs/dbraw/zinc/30/29/91/1306302991.db2.gz SORZLSRROUIJSY-UHFFFAOYSA-N 0 3 328.412 3.216 20 10 EGCDHN COc1ccc(CNC(C)(C)c2ccccc2[N+](=O)[O-])c(O)c1OC ZINC000894590438 1308969596 /nfs/dbraw/zinc/96/95/96/1308969596.db2.gz ARMQQWSTPWKNLT-UHFFFAOYSA-N 0 3 346.383 3.343 20 10 EGCDHN COc1ccc(CN[C@@H]2C[C@@H](C)Oc3ccccc32)c(O)c1OC ZINC000894688813 1309022302 /nfs/dbraw/zinc/02/23/02/1309022302.db2.gz GKMPXNURMNZWGF-IUODEOHRSA-N 0 3 329.396 3.411 20 10 EGCDHN COc1cc(C)cc(CNCC(=O)Nc2ccc(C)cc2Cl)c1O ZINC000895037979 1309167378 /nfs/dbraw/zinc/16/73/78/1309167378.db2.gz AWOKJKIKDNLLLR-UHFFFAOYSA-N 0 3 348.830 3.399 20 10 EGCDHN COC[C@H](NCc1cc(C)cc(OC)c1O)c1cccc(OC)c1 ZINC000895251774 1309258296 /nfs/dbraw/zinc/25/82/96/1309258296.db2.gz NROLKPASWMOYGQ-KRWDZBQOSA-N 0 3 331.412 3.195 20 10 EGCDHN COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000793608066 1309415699 /nfs/dbraw/zinc/41/56/99/1309415699.db2.gz GYTIIWFRUPRELK-DYVFJYSZSA-N 0 3 331.387 3.041 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](O)c2c(F)cccc2F)c1[O-] ZINC000895747227 1309502239 /nfs/dbraw/zinc/50/22/39/1309502239.db2.gz GINWKKSXVKCDBB-CYBMUJFWSA-N 0 3 343.757 3.156 20 10 EGCDHN CC[C@H]([NH2+]Cc1cccc(NS(C)(=O)=O)c1)c1ccc(C)cc1[O-] ZINC000794790242 1309595592 /nfs/dbraw/zinc/59/55/92/1309595592.db2.gz BJTBHIRCXQOHIM-KRWDZBQOSA-N 0 3 348.468 3.313 20 10 EGCDHN CC[C@@H]([NH2+]C1CCN(C[C@@H]2CCCO2)CC1)c1ccc(C)cc1[O-] ZINC000794811315 1309600767 /nfs/dbraw/zinc/60/07/67/1309600767.db2.gz WTRRIIFALZVDNS-PKOBYXMFSA-N 0 3 332.488 3.385 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]CCc2nc3c(s2)CCC3)c1[O-] ZINC000896840223 1310045416 /nfs/dbraw/zinc/04/54/16/1310045416.db2.gz CWIVQEHJUMLYFQ-UHFFFAOYSA-N 0 3 338.860 3.332 20 10 EGCDHN CO[C@@H]1CCOC[C@H]1NCc1ccc(N(C)Cc2cccs2)cc1 ZINC000897890009 1310507339 /nfs/dbraw/zinc/50/73/39/1310507339.db2.gz DUZOBQWEACUUSQ-RTBURBONSA-N 0 3 346.496 3.278 20 10 EGCDHN CC(C)OC[C@H](C)[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000800239003 1310709512 /nfs/dbraw/zinc/70/95/12/1310709512.db2.gz CKUKJWQAVMMNMN-WMLDXEAASA-N 0 3 340.895 3.413 20 10 EGCDHN C[C@H]([NH2+][C@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccccc1[O-] ZINC000800994676 1310849419 /nfs/dbraw/zinc/84/94/19/1310849419.db2.gz YPDOMLOOVDIXLL-WMZOPIPTSA-N 0 3 338.451 3.277 20 10 EGCDHN COc1ccc([C@@H](NC(C)C)C(=O)N[C@H](C)c2ccccc2O)cc1 ZINC000899182375 1310969696 /nfs/dbraw/zinc/96/96/96/1310969696.db2.gz YXIPIILWYAMLMR-AUUYWEPGSA-N 0 3 342.439 3.317 20 10 EGCDHN CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc([O-])cs1 ZINC000802644899 1317020308 /nfs/dbraw/zinc/02/03/08/1317020308.db2.gz OXNUJMGDHQPYLA-KRWDZBQOSA-N 0 3 344.480 3.484 20 10 EGCDHN CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc([O-])cs1 ZINC000802644899 1317020316 /nfs/dbraw/zinc/02/03/16/1317020316.db2.gz OXNUJMGDHQPYLA-KRWDZBQOSA-N 0 3 344.480 3.484 20 10 EGCDHN CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)C1=CC(=O)CS1 ZINC000802644899 1317020325 /nfs/dbraw/zinc/02/03/25/1317020325.db2.gz OXNUJMGDHQPYLA-KRWDZBQOSA-N 0 3 344.480 3.484 20 10 EGCDHN CC[C@H](C[NH2+]Cc1c([O-])cccc1Br)N1CCCC1 ZINC000858093873 1328679872 /nfs/dbraw/zinc/67/98/72/1328679872.db2.gz ATKKBRTUZHZSMB-GFCCVEGCSA-N 0 3 327.266 3.119 20 10 EGCDHN CN(C)c1cc(F)c(CNCCn2cnc3ccccc32)cc1F ZINC000858112410 1328685536 /nfs/dbraw/zinc/68/55/36/1328685536.db2.gz LSPGEAGKAIAMJQ-UHFFFAOYSA-N 0 3 330.382 3.170 20 10 EGCDHN C[C@@H]([NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)c1ccccc1[O-] ZINC000806169618 1317467942 /nfs/dbraw/zinc/46/79/42/1317467942.db2.gz OEYJZRKOMRFWOA-CHWSQXEVSA-N 0 3 344.377 3.376 20 10 EGCDHN CCN(C)c1ccc([C@@H](C)N[C@@H](CCSC)C(=O)N(C)C)cc1 ZINC000806662516 1317517451 /nfs/dbraw/zinc/51/74/51/1317517451.db2.gz DDTPQQPDBTYRLT-PBHICJAKSA-N 0 3 337.533 3.003 20 10 EGCDHN Cc1ccc([C@H](CNC(=O)NCc2cc(C)ccc2O)N(C)C)cc1 ZINC000858190285 1328707544 /nfs/dbraw/zinc/70/75/44/1328707544.db2.gz GSYNPMDYRAPPBG-SFHVURJKSA-N 0 3 341.455 3.111 20 10 EGCDHN Cc1cc(C(F)(F)F)nn1CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000903162284 1317665033 /nfs/dbraw/zinc/66/50/33/1317665033.db2.gz CCHWZMWXHCFEPS-LBPRGKRZSA-N 0 3 325.334 3.193 20 10 EGCDHN CCC(CC)CN1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000957849695 1317665039 /nfs/dbraw/zinc/66/50/39/1317665039.db2.gz PYZWGVLSWDWEQK-UHFFFAOYSA-N 0 3 345.447 3.043 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC[C@H](O)C2CC2)c1[O-] ZINC000903407862 1317697561 /nfs/dbraw/zinc/69/75/61/1317697561.db2.gz QUEPJWLAUNESFK-HZMBPMFUSA-N 0 3 328.250 3.275 20 10 EGCDHN Cc1nc([C@@H](C)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cs1 ZINC000903449652 1317702264 /nfs/dbraw/zinc/70/22/64/1317702264.db2.gz ZAIDLLBOTPIAHF-FZKQIMNGSA-N 0 3 332.517 3.471 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+]Cc2cnn3ccccc23)c1[O-] ZINC000809701509 1317868257 /nfs/dbraw/zinc/86/82/57/1317868257.db2.gz YKJARYMFIIBBRX-UHFFFAOYSA-N 0 3 346.228 3.401 20 10 EGCDHN CCN1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000809698257 1317868539 /nfs/dbraw/zinc/86/85/39/1317868539.db2.gz WVLCKNJJJZMTPH-INIZCTEOSA-N 0 3 346.475 3.111 20 10 EGCDHN CC[C@H](CN[C@H](C)c1ccc(N2CCOCC2)cc1Cl)OC ZINC000810260390 1317989335 /nfs/dbraw/zinc/98/93/35/1317989335.db2.gz KEZYTPWTIBYVBF-UKRRQHHQSA-N 0 3 326.868 3.252 20 10 EGCDHN COCOc1ccc(OC)cc1CN[C@H](C)c1cc(OC)ccc1O ZINC000813331990 1318535253 /nfs/dbraw/zinc/53/52/53/1318535253.db2.gz YXBNSYBXXXAURS-CYBMUJFWSA-N 0 3 347.411 3.243 20 10 EGCDHN COC(=O)c1ccc(CN(C)Cc2ccc(N(C)C)c(C)c2)cc1 ZINC000815063414 1318879807 /nfs/dbraw/zinc/87/98/07/1318879807.db2.gz ADLCRBSUTDCWLB-UHFFFAOYSA-N 0 3 326.440 3.480 20 10 EGCDHN CC(=O)N1CCN(Cc2ccc(N(C)C)c(C)c2)CC12CCCCC2 ZINC000815078109 1318884155 /nfs/dbraw/zinc/88/41/55/1318884155.db2.gz OIHDZPNNBHTSFC-UHFFFAOYSA-N 0 3 343.515 3.428 20 10 EGCDHN CN1CCN(c2ccc(CNCc3c(F)cc(F)cc3F)cc2)CC1 ZINC000815152440 1318914294 /nfs/dbraw/zinc/91/42/94/1318914294.db2.gz SXFQDCSNKJGHGT-UHFFFAOYSA-N 0 3 349.400 3.146 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c2c1c(F)ccc2[O-] ZINC000817939599 1319468801 /nfs/dbraw/zinc/46/88/01/1319468801.db2.gz CSNPIYXYMYHSDE-DQYPLSBCSA-N 0 3 343.446 3.435 20 10 EGCDHN CCC(N)(CC)C[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000817961269 1319477851 /nfs/dbraw/zinc/47/78/51/1319477851.db2.gz ZVVZPUFMYGHAAS-SECBINFHSA-N 0 3 333.245 3.462 20 10 EGCDHN Cc1cc(C)c(O)c(CN2CCN(CCOc3ccccc3)CC2)c1 ZINC000916568216 1319674464 /nfs/dbraw/zinc/67/44/64/1319674464.db2.gz UTEVCWCSCYJWTK-UHFFFAOYSA-N 0 3 340.467 3.206 20 10 EGCDHN COc1cc(CN2CCC[C@H](n3ccnn3)C2)c(O)c(C(C)(C)C)c1 ZINC000819898751 1319794697 /nfs/dbraw/zinc/79/46/97/1319794697.db2.gz YVRFUFINPKWDHJ-HNNXBMFYSA-N 0 3 344.459 3.127 20 10 EGCDHN CO[C@@H]1CC[N@H+](Cc2cc(Br)cc(C)c2[O-])C[C@H]1C ZINC000824815677 1320288054 /nfs/dbraw/zinc/28/80/54/1320288054.db2.gz WREBUQHJYKGIIP-BXUZGUMPSA-N 0 3 328.250 3.320 20 10 EGCDHN CO[C@@H]1CC[N@@H+](Cc2cc(Br)cc(C)c2[O-])C[C@H]1C ZINC000824815677 1320288057 /nfs/dbraw/zinc/28/80/57/1320288057.db2.gz WREBUQHJYKGIIP-BXUZGUMPSA-N 0 3 328.250 3.320 20 10 EGCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000824861068 1320291428 /nfs/dbraw/zinc/29/14/28/1320291428.db2.gz GMGRLZRCBSHJMM-OAHLLOKOSA-N 0 3 345.292 3.253 20 10 EGCDHN CC(C)(C)OC(=O)N1C[C@@H]2CCC[N@H+](Cc3ccccc3[O-])[C@@H]2C1 ZINC000825275394 1320323219 /nfs/dbraw/zinc/32/32/19/1320323219.db2.gz KIVIVJMNGKXBFJ-GOEBONIOSA-N 0 3 332.444 3.224 20 10 EGCDHN CC(C)(C)OC(=O)N1C[C@@H]2CCC[N@@H+](Cc3ccccc3[O-])[C@@H]2C1 ZINC000825275394 1320323224 /nfs/dbraw/zinc/32/32/24/1320323224.db2.gz KIVIVJMNGKXBFJ-GOEBONIOSA-N 0 3 332.444 3.224 20 10 EGCDHN COc1ccc(O)c([C@H](C)N[C@H](C)C(=O)N(C)c2ccccc2)c1 ZINC000839540184 1320934643 /nfs/dbraw/zinc/93/46/43/1320934643.db2.gz SKGRGBIRJZDQEE-UONOGXRCSA-N 0 3 328.412 3.103 20 10 EGCDHN COc1cc(Br)cc(C[NH2+][C@H](C)C2(OC)CCC2)c1[O-] ZINC000840969170 1321189684 /nfs/dbraw/zinc/18/96/84/1321189684.db2.gz BQULRMFCERJOTF-SNVBAGLBSA-N 0 3 344.249 3.211 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+]C[C@H](N)c2ccccc2)c1[O-] ZINC000841037398 1321206103 /nfs/dbraw/zinc/20/61/03/1321206103.db2.gz PSHFRSDRDJFRKZ-HNNXBMFYSA-N 0 3 335.245 3.253 20 10 EGCDHN C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1)c1ccc(Cl)cc1[O-] ZINC000841750777 1321306274 /nfs/dbraw/zinc/30/62/74/1321306274.db2.gz JCEMODURPFZWBF-VUCTXSBTSA-N 0 3 338.879 3.074 20 10 EGCDHN COc1cc(Br)cc(C[NH2+][C@H]2CCS[C@H]2C)c1[O-] ZINC000842778040 1321431297 /nfs/dbraw/zinc/43/12/97/1321431297.db2.gz DJZATBKUICSGHQ-KWQFWETISA-N 0 3 332.263 3.147 20 10 EGCDHN C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])c1ccc(N2CCNC2=O)cc1 ZINC000842899179 1321447709 /nfs/dbraw/zinc/44/77/09/1321447709.db2.gz BPJHNFRGUVNGKA-CHWSQXEVSA-N 0 3 343.402 3.473 20 10 EGCDHN CC[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)C(=O)NCc1cccs1 ZINC000842907069 1321448477 /nfs/dbraw/zinc/44/84/77/1321448477.db2.gz CKNUJPLQSAWVJH-GJZGRUSLSA-N 0 3 330.453 3.126 20 10 EGCDHN C[C@@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1[O-])NC(=O)OC(C)(C)C ZINC000843415528 1321514824 /nfs/dbraw/zinc/51/48/24/1321514824.db2.gz CHHFZYCRAMVBRQ-RYUDHWBXSA-N 0 3 326.412 3.313 20 10 EGCDHN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H](N)CC(F)F ZINC000843484304 1321522500 /nfs/dbraw/zinc/52/25/00/1321522500.db2.gz JPBNLXWCBYWAFA-BBRMVZONSA-N 0 3 348.393 3.465 20 10 EGCDHN COc1cccc([C@@H](C)NC2(c3ccc4c(c3)OCO4)CC2)c1O ZINC000846160898 1321773030 /nfs/dbraw/zinc/77/30/30/1321773030.db2.gz UVRJWLOSXLHNOL-GFCCVEGCSA-N 0 3 327.380 3.469 20 10 EGCDHN COc1ccc(N2CC[C@@H](CNCc3nccn3C(C)C)C2)cc1 ZINC000850331409 1322229654 /nfs/dbraw/zinc/22/96/54/1322229654.db2.gz YKRAGJMSFUXKOL-INIZCTEOSA-N 0 3 328.460 3.089 20 10 EGCDHN COc1ccc(CNCc2cc(F)ccc2OC(F)F)c(O)c1 ZINC000850408378 1322240086 /nfs/dbraw/zinc/24/00/86/1322240086.db2.gz KIWUTHCQTZUCGA-UHFFFAOYSA-N 0 3 327.302 3.431 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCCNC3=O)cc2)c([O-])c1 ZINC000850574764 1322270948 /nfs/dbraw/zinc/27/09/48/1322270948.db2.gz JPZANSBDBBNYRB-HNNXBMFYSA-N 0 3 339.439 3.471 20 10 EGCDHN C[C@@H]([NH2+]Cc1ccc(N2CCCNC2=O)cc1)c1ccccc1[O-] ZINC000850574003 1322271089 /nfs/dbraw/zinc/27/10/89/1322271089.db2.gz ACEIWMNCZAIDPH-CQSZACIVSA-N 0 3 325.412 3.163 20 10 EGCDHN CC(=O)N1CC[C@@H]([NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])C1 ZINC000857084631 1325571265 /nfs/dbraw/zinc/57/12/65/1325571265.db2.gz YVMXZDKSVKHGNO-QUCCMNQESA-N 0 3 338.451 3.277 20 10 EGCDHN CC[C@@H]([NH2+]CCc1ccccc1S(C)(=O)=O)c1ccc(C)cc1[O-] ZINC000926907488 1327769045 /nfs/dbraw/zinc/76/90/45/1327769045.db2.gz JZINLQWPIXJLFB-QGZVFWFLSA-N 0 3 347.480 3.388 20 10 EGCDHN COc1ccc(N2CC[C@H](CNCc3cnc(C4CC4)o3)C2)cc1 ZINC000862397032 1329482523 /nfs/dbraw/zinc/48/25/23/1329482523.db2.gz AHZJVSIEICCWEH-CQSZACIVSA-N 0 3 327.428 3.177 20 10 EGCDHN CC[N@H+](Cc1cc(Br)cc(C)c1[O-])C1CCN(C)CC1 ZINC001233111046 1376571168 /nfs/dbraw/zinc/57/11/68/1376571168.db2.gz YVXAUCOXEYAPBQ-UHFFFAOYSA-N 0 3 341.293 3.379 20 10 EGCDHN CC[N@@H+](Cc1cc(Br)cc(C)c1[O-])C1CCN(C)CC1 ZINC001233111046 1376571173 /nfs/dbraw/zinc/57/11/73/1376571173.db2.gz YVXAUCOXEYAPBQ-UHFFFAOYSA-N 0 3 341.293 3.379 20 10 EGCDHN CCCN1CCCC[C@@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC001324093422 1387538836 /nfs/dbraw/zinc/53/88/36/1387538836.db2.gz CBSQVPJAZZLPRE-GOSISDBHSA-N 0 3 330.472 3.152 20 10 EGCDHN O=C1OC2(CN1c1ccccc1)CC[NH+](Cc1ccccc1[O-])CC2 ZINC001203555726 1370168398 /nfs/dbraw/zinc/16/83/98/1370168398.db2.gz FRJLGKUXRFDOQE-UHFFFAOYSA-N 0 3 338.407 3.384 20 10 EGCDHN COc1cccc(CN2CCCN(C(=O)C3CCCCC3)CC2)c1O ZINC001203600258 1370184083 /nfs/dbraw/zinc/18/40/83/1370184083.db2.gz ZZVALFCKKSPULK-UHFFFAOYSA-N 0 3 346.471 3.015 20 10 EGCDHN COc1ccc(C[N@H+](C)CCc2cccc(C(F)(F)F)n2)c([O-])c1 ZINC001203620356 1370190032 /nfs/dbraw/zinc/19/00/32/1370190032.db2.gz ATOBPOWENXWLGV-UHFFFAOYSA-N 0 3 340.345 3.489 20 10 EGCDHN COc1ccc(C[N@@H+](C)CCc2cccc(C(F)(F)F)n2)c([O-])c1 ZINC001203620356 1370190033 /nfs/dbraw/zinc/19/00/33/1370190033.db2.gz ATOBPOWENXWLGV-UHFFFAOYSA-N 0 3 340.345 3.489 20 10 EGCDHN COc1cccc(O[C@H]2CCC[N@H+](Cc3ccc(OC)cc3[O-])C2)c1 ZINC001203629435 1370193250 /nfs/dbraw/zinc/19/32/50/1370193250.db2.gz KHBQYDPJORBXPZ-IBGZPJMESA-N 0 3 343.423 3.453 20 10 EGCDHN COc1cccc(O[C@H]2CCC[N@@H+](Cc3ccc(OC)cc3[O-])C2)c1 ZINC001203629435 1370193253 /nfs/dbraw/zinc/19/32/53/1370193253.db2.gz KHBQYDPJORBXPZ-IBGZPJMESA-N 0 3 343.423 3.453 20 10 EGCDHN COc1ccc(CN2CCN(C3(c4ccccc4)CC3)CC2)c(O)c1 ZINC001203634354 1370195019 /nfs/dbraw/zinc/19/50/19/1370195019.db2.gz ARHMPYASPPINHH-UHFFFAOYSA-N 0 3 338.451 3.208 20 10 EGCDHN CC[N@H+](CCN(C)C(=O)OC(C)(C)C)Cc1ccc(OC)cc1[O-] ZINC001203634530 1370195228 /nfs/dbraw/zinc/19/52/28/1370195228.db2.gz KOHJIOJBACQTPV-UHFFFAOYSA-N 0 3 338.448 3.090 20 10 EGCDHN CC[N@@H+](CCN(C)C(=O)OC(C)(C)C)Cc1ccc(OC)cc1[O-] ZINC001203634530 1370195230 /nfs/dbraw/zinc/19/52/30/1370195230.db2.gz KOHJIOJBACQTPV-UHFFFAOYSA-N 0 3 338.448 3.090 20 10 EGCDHN COc1ccc(C[N@@H+]2CCC[C@@H](Oc3cc(C)ccn3)C2)c([O-])c1 ZINC001203635019 1370195424 /nfs/dbraw/zinc/19/54/24/1370195424.db2.gz GHFYKGMJAYVHKJ-QGZVFWFLSA-N 0 3 328.412 3.148 20 10 EGCDHN COc1ccc(C[N@H+]2CCC[C@@H](Oc3cc(C)ccn3)C2)c([O-])c1 ZINC001203635019 1370195425 /nfs/dbraw/zinc/19/54/25/1370195425.db2.gz GHFYKGMJAYVHKJ-QGZVFWFLSA-N 0 3 328.412 3.148 20 10 EGCDHN C[C@@H]1CN(Cc2ccc(O)c(O)c2)[C@H](C)CN1Cc1ccccc1 ZINC001203884806 1370299058 /nfs/dbraw/zinc/29/90/58/1370299058.db2.gz ZKFZFNOPHIQCDS-HZPDHXFCSA-N 0 3 326.440 3.193 20 10 EGCDHN CN(C)c1ccc(CN2CC[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)cc1 ZINC001203931428 1370319977 /nfs/dbraw/zinc/31/99/77/1370319977.db2.gz POYDXEJYHRMUEK-ZWKOTPCHSA-N 0 3 345.487 3.336 20 10 EGCDHN CC(=O)OC[C@@H]1CCC2(C1)CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001204277765 1370430198 /nfs/dbraw/zinc/43/01/98/1370430198.db2.gz LFEWQPGCVMWLNI-OAHLLOKOSA-N 0 3 333.428 3.043 20 10 EGCDHN CCOc1ccc(N2CCN(CCCOCC(F)(F)F)CC2)cc1 ZINC001116385573 1370900639 /nfs/dbraw/zinc/90/06/39/1370900639.db2.gz CEJKIGCQQDJPCW-UHFFFAOYSA-N 0 3 346.393 3.176 20 10 EGCDHN Cc1cc(Br)c([O-])c(CN2CCC[C@@H](C[NH3+])[C@H]2C)c1 ZINC001205912847 1370908523 /nfs/dbraw/zinc/90/85/23/1370908523.db2.gz DBIWQEHHVBAZAR-NEPJUHHUSA-N 0 3 327.266 3.022 20 10 EGCDHN C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@@H]1CN(C)C(=O)O1 ZINC001117707039 1371066459 /nfs/dbraw/zinc/06/64/59/1371066459.db2.gz VOFWNNDAJDXSRC-QAPCUYQASA-N 0 3 340.423 3.406 20 10 EGCDHN C[C@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@@H]1CN(C)C(=O)O1 ZINC001117707039 1371066465 /nfs/dbraw/zinc/06/64/65/1371066465.db2.gz VOFWNNDAJDXSRC-QAPCUYQASA-N 0 3 340.423 3.406 20 10 EGCDHN C[C@H](c1ccccc1)N(Cc1ccccc1O)C[C@@H]1CN(C)C(=O)O1 ZINC001117707039 1371066467 /nfs/dbraw/zinc/06/64/67/1371066467.db2.gz VOFWNNDAJDXSRC-QAPCUYQASA-N 0 3 340.423 3.406 20 10 EGCDHN C[C@H](Nc1ccc(N2CCN(C)CC2)cc1)c1c(O)cccc1F ZINC001119438154 1371341389 /nfs/dbraw/zinc/34/13/89/1371341389.db2.gz JIUYLBJVNKOKQM-AWEZNQCLSA-N 0 3 329.419 3.456 20 10 EGCDHN C[C@H]1C[NH2+]CCC[C@H]1Oc1c(O)c([O-])ccc1C(=O)c1ccccc1 ZINC001217987226 1373527543 /nfs/dbraw/zinc/52/75/43/1373527543.db2.gz MHRFPOZLCCIRCW-SUMWQHHRSA-N 0 3 341.407 3.096 20 10 EGCDHN O=[N+]([O-])c1ccc(/N=N/c2ccc(OC[C@H]3CNCCO3)cc2)cc1 ZINC001218178535 1373573389 /nfs/dbraw/zinc/57/33/89/1373573389.db2.gz XKNORHSTUSAMPE-NHKNDPDJSA-N 0 3 342.355 3.377 20 10 EGCDHN Cc1cccc(CN2CC3(C2)CCN(C(=O)OC(C)(C)C)C3)c1O ZINC001231592239 1376273955 /nfs/dbraw/zinc/27/39/55/1376273955.db2.gz PIBGLPYSQGYNBS-UHFFFAOYSA-N 0 3 332.444 3.143 20 10 EGCDHN COC(=O)C[C@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233768316 1376712074 /nfs/dbraw/zinc/71/20/74/1376712074.db2.gz PAKZYPJOOPRVIH-LLVKDONJSA-N 0 3 347.333 3.066 20 10 EGCDHN COC(=O)C[C@H]1CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233768316 1376712080 /nfs/dbraw/zinc/71/20/80/1376712080.db2.gz PAKZYPJOOPRVIH-LLVKDONJSA-N 0 3 347.333 3.066 20 10 EGCDHN CCCC[C@H]1CN(Cc2cc(Br)ccc2[O-])CC[NH2+]1 ZINC001236139233 1376936822 /nfs/dbraw/zinc/93/68/22/1376936822.db2.gz LECQHPYBHMPDBP-AWEZNQCLSA-N 0 3 327.266 3.119 20 10 EGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001237051262 1376971062 /nfs/dbraw/zinc/97/10/62/1376971062.db2.gz JCWADYCPEICHFB-CZUORRHYSA-N 0 3 345.361 3.334 20 10 EGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001237051262 1376971078 /nfs/dbraw/zinc/97/10/78/1376971078.db2.gz JCWADYCPEICHFB-CZUORRHYSA-N 0 3 345.361 3.334 20 10 EGCDHN COc1cc(N2CCN(Cc3ccc(C(C)C)cc3O)CC2)ccn1 ZINC001237051854 1376971283 /nfs/dbraw/zinc/97/12/83/1376971283.db2.gz RCYWBQUAGOLJMS-UHFFFAOYSA-N 0 3 341.455 3.241 20 10 EGCDHN Cc1cc([O-])c(C[N@H+]2C[C@@H](CO)CC[C@H]2C)cc1Br ZINC001237676262 1376983226 /nfs/dbraw/zinc/98/32/26/1376983226.db2.gz HKLOGAAEIBIBQY-NEPJUHHUSA-N 0 3 328.250 3.056 20 10 EGCDHN Cc1cc([O-])c(C[N@@H+]2C[C@@H](CO)CC[C@H]2C)cc1Br ZINC001237676262 1376983231 /nfs/dbraw/zinc/98/32/31/1376983231.db2.gz HKLOGAAEIBIBQY-NEPJUHHUSA-N 0 3 328.250 3.056 20 10 EGCDHN COC(=O)Cc1ccc(C[N@H+](C)CCc2ccc(C)cc2)c([O-])c1 ZINC001249208278 1377073177 /nfs/dbraw/zinc/07/31/77/1377073177.db2.gz RAAZSBIIVWNSQZ-UHFFFAOYSA-N 0 3 327.424 3.091 20 10 EGCDHN COC(=O)Cc1ccc(C[N@@H+](C)CCc2ccc(C)cc2)c([O-])c1 ZINC001249208278 1377073181 /nfs/dbraw/zinc/07/31/81/1377073181.db2.gz RAAZSBIIVWNSQZ-UHFFFAOYSA-N 0 3 327.424 3.091 20 10 EGCDHN Cc1ccc(CN(C)Cc2cc3c4c(c2O)CCCN4CCC3)cn1 ZINC001138341387 1377706506 /nfs/dbraw/zinc/70/65/06/1377706506.db2.gz FDSUGZSLNPBFEJ-UHFFFAOYSA-N 0 3 337.467 3.426 20 10 EGCDHN Cc1cc(CN2CCN3CCc4ccccc4[C@H]3C2)ccc1N(C)C ZINC001139673197 1377931414 /nfs/dbraw/zinc/93/14/14/1377931414.db2.gz CFSJTDZBUKUXBU-JOCHJYFZSA-N 0 3 335.495 3.476 20 10 EGCDHN Cc1ccc(C)c(CN2CCN(Cc3ccc(F)cc3)CC2)c1O ZINC001140178773 1378026147 /nfs/dbraw/zinc/02/61/47/1378026147.db2.gz XHIHRVHDZKRSNC-UHFFFAOYSA-N 0 3 328.431 3.466 20 10 EGCDHN CN1CC2(CCC1=O)CC[NH+](Cc1c([O-])ccc3ccccc31)CC2 ZINC001273769354 1378110280 /nfs/dbraw/zinc/11/02/80/1378110280.db2.gz ITHBRUAUTOIQQC-UHFFFAOYSA-N 0 3 338.451 3.380 20 10 EGCDHN CC(C)N1CCCC[C@]12CC(=O)N(Cc1ccc(N(C)C)cc1)C2 ZINC001273925260 1378113187 /nfs/dbraw/zinc/11/31/87/1378113187.db2.gz QEKYXVZUPWHVPC-HXUWFJFHSA-N 0 3 329.488 3.118 20 10 EGCDHN Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@H](C(N)=O)c2ccccc2)c([O-])c1 ZINC001140951095 1378190350 /nfs/dbraw/zinc/19/03/50/1378190350.db2.gz YUWLDQDGBFQBMX-AZUAARDMSA-N 0 3 338.451 3.324 20 10 EGCDHN Cc1ccc(C[N@H+]2CCCC[C@H]2[C@H](C(N)=O)c2ccccc2)c([O-])c1 ZINC001140951095 1378190354 /nfs/dbraw/zinc/19/03/54/1378190354.db2.gz YUWLDQDGBFQBMX-AZUAARDMSA-N 0 3 338.451 3.324 20 10 EGCDHN COc1ccccc1CN1CCN(Cc2ccc(C)cc2O)CC1 ZINC001140950319 1378190408 /nfs/dbraw/zinc/19/04/08/1378190408.db2.gz YRHXBMHUVGBACT-UHFFFAOYSA-N 0 3 326.440 3.027 20 10 EGCDHN Cc1ccc(C[NH+]2CCC3(CC2)NC(=O)Nc2ccccc23)c([O-])c1 ZINC001140951081 1378190518 /nfs/dbraw/zinc/19/05/18/1378190518.db2.gz YDBUHOMMQLOUSH-UHFFFAOYSA-N 0 3 337.423 3.327 20 10 EGCDHN COc1cc(O)c(CN2CC[C@H](C(=O)c3ccccc3)C2)c(OC)c1 ZINC001141030958 1378213978 /nfs/dbraw/zinc/21/39/78/1378213978.db2.gz SGYQWLWQVDOHTK-HNNXBMFYSA-N 0 3 341.407 3.114 20 10 EGCDHN [NH3+][C@H](c1ccccc1[O-])[C@H](Nc1ncccc1F)c1ccccc1O ZINC001160616332 1382154299 /nfs/dbraw/zinc/15/42/99/1382154299.db2.gz GPYOKJGDWLVAMJ-QZTJIDSGSA-N 0 3 339.370 3.485 20 10 EGCDHN COC(=O)c1c[n-]c2nc(NCc3cc4ccccc4cc3O)[nH+]cc12 ZINC001171399764 1384513087 /nfs/dbraw/zinc/51/30/87/1384513087.db2.gz KZURYALMDXMFEP-UHFFFAOYSA-N 0 3 348.362 3.167 20 10 EGCDHN O=C(c1ccc(Cl)cc1)N1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC001173409904 1384967151 /nfs/dbraw/zinc/96/71/51/1384967151.db2.gz VBZXQYLMLKHFDG-UHFFFAOYSA-N 0 3 344.842 3.440 20 10 EGCDHN O[C@@H]([C@H]1CCCN1Cc1ccc(N2CCCC2)cc1)C(F)(F)F ZINC001319951101 1386412793 /nfs/dbraw/zinc/41/27/93/1386412793.db2.gz YFXKOISZZQTFEM-CVEARBPZSA-N 0 3 328.378 3.174 20 10 EGCDHN CC[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC001320158825 1386541278 /nfs/dbraw/zinc/54/12/78/1386541278.db2.gz AIIYXTJNYGXBFT-IBGZPJMESA-N 0 3 343.446 3.249 20 10 EGCDHN CC[C@H]([NH2+]CCN1C(=O)COc2ccccc21)c1ccc(C)cc1[O-] ZINC001321236377 1386851610 /nfs/dbraw/zinc/85/16/10/1386851610.db2.gz RMRGDVOPFBNSLI-INIZCTEOSA-N 0 3 340.423 3.167 20 10 EGCDHN CCOc1ccc(N2CCN(CCCCCn3cccn3)CC2)cc1 ZINC001336434757 1389098824 /nfs/dbraw/zinc/09/88/24/1389098824.db2.gz IRAHQZPMNISSPR-UHFFFAOYSA-N 0 3 342.487 3.274 20 10 EGCDHN OC[C@H]1CN(Cc2ccc(N3CCCC3)cc2)CC[C@@H]1C(F)(F)F ZINC001329791023 1389225845 /nfs/dbraw/zinc/22/58/45/1389225845.db2.gz GGSZWIIRBMJYOV-WBVHZDCISA-N 0 3 342.405 3.280 20 10 EGCDHN COc1ccc(CNC/C=C\CNC(=O)C(C)(C)C(F)F)cc1C ZINC001754168609 1440546785 /nfs/dbraw/zinc/54/67/85/1440546785.db2.gz OBQBYLHYYXBBIG-WAYWQWQTSA-N 0 3 340.414 3.057 20 10 EGCDHN CCOCc1cc(CN[C@H](CC)[C@@H](O)C(F)(F)F)ccc1OC ZINC000270972454 456082275 /nfs/dbraw/zinc/08/22/75/456082275.db2.gz JRKMYAFVTHONCD-UKRRQHHQSA-N 0 3 335.366 3.023 20 10 EGCDHN C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000183251282 455261329 /nfs/dbraw/zinc/26/13/29/455261329.db2.gz QLZRGPXKRGBVFE-CYBMUJFWSA-N 0 3 326.375 3.305 20 10 EGCDHN C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000183251282 455261333 /nfs/dbraw/zinc/26/13/33/455261333.db2.gz QLZRGPXKRGBVFE-CYBMUJFWSA-N 0 3 326.375 3.305 20 10 EGCDHN CC[C@@H]([NH2+][C@H]1CCN(c2ccccc2OC)C1=O)c1ccccc1[O-] ZINC000183327663 455277409 /nfs/dbraw/zinc/27/74/09/455277409.db2.gz QFPIBBXLUYXEJB-CVEARBPZSA-N 0 3 340.423 3.247 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCC[C@@H]2CCO)c1[O-] ZINC000190306354 455295458 /nfs/dbraw/zinc/29/54/58/455295458.db2.gz KPPFSEILTOTLGE-RISCZKNCSA-N 0 3 328.250 3.104 20 10 EGCDHN CCN(CC)[C@H](C[NH2+]Cc1cc(OC)c(OC)cc1[O-])c1ccco1 ZINC000181256056 455308555 /nfs/dbraw/zinc/30/85/55/455308555.db2.gz INQMZFCUBJWRNH-OAHLLOKOSA-N 0 3 348.443 3.175 20 10 EGCDHN Cc1cc(O)c(CN2CCCN(C(=O)c3ccccc3)CC2)cc1C ZINC000029889548 453832478 /nfs/dbraw/zinc/83/24/78/453832478.db2.gz UAOHSMOPKFOEPP-UHFFFAOYSA-N 0 3 338.451 3.357 20 10 EGCDHN CC(C)N1CC[C@H](N[C@H](C)c2ccc(N3CCCCC3)cc2)C1=O ZINC000089728915 454183727 /nfs/dbraw/zinc/18/37/27/454183727.db2.gz HWUDIVYKDUPNHG-APWZRJJASA-N 0 3 329.488 3.337 20 10 EGCDHN CCNC(=O)c1cccc(CN[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000160170457 455434120 /nfs/dbraw/zinc/43/41/20/455434120.db2.gz IPJOTASZBVHOKB-HNNXBMFYSA-N 0 3 325.456 3.353 20 10 EGCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000121140379 454397389 /nfs/dbraw/zinc/39/73/89/454397389.db2.gz GTXZDLWDMPPADA-WIYYLYMNSA-N 0 3 341.451 3.279 20 10 EGCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000121140379 454397393 /nfs/dbraw/zinc/39/73/93/454397393.db2.gz GTXZDLWDMPPADA-WIYYLYMNSA-N 0 3 341.451 3.279 20 10 EGCDHN CCCOc1ccc(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c([O-])c1 ZINC000091960796 454495298 /nfs/dbraw/zinc/49/52/98/454495298.db2.gz HJLXZKVRWGRMDC-MAUKXSAKSA-N 0 3 329.444 3.461 20 10 EGCDHN CCCOc1ccc(C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c([O-])c1 ZINC000091960796 454495300 /nfs/dbraw/zinc/49/53/00/454495300.db2.gz HJLXZKVRWGRMDC-MAUKXSAKSA-N 0 3 329.444 3.461 20 10 EGCDHN COc1ccc(N2CCC[N@H+](Cc3cccc(OC)c3[O-])CC2)cc1 ZINC000092380781 454559009 /nfs/dbraw/zinc/55/90/09/454559009.db2.gz AOXMVPCQXOTPLF-UHFFFAOYSA-N 0 3 342.439 3.122 20 10 EGCDHN COc1ccc(N2CCC[N@@H+](Cc3cccc(OC)c3[O-])CC2)cc1 ZINC000092380781 454559013 /nfs/dbraw/zinc/55/90/13/454559013.db2.gz AOXMVPCQXOTPLF-UHFFFAOYSA-N 0 3 342.439 3.122 20 10 EGCDHN CCCOc1ccc(C[N@@H+]2CCC[C@@H](Cc3noc(C)n3)C2)c([O-])c1 ZINC000092814165 454639598 /nfs/dbraw/zinc/63/95/98/454639598.db2.gz LIDXFDZYUBYGST-HNNXBMFYSA-N 0 3 345.443 3.327 20 10 EGCDHN CCCOc1ccc(C[N@H+]2CCC[C@@H](Cc3noc(C)n3)C2)c([O-])c1 ZINC000092814165 454639602 /nfs/dbraw/zinc/63/96/02/454639602.db2.gz LIDXFDZYUBYGST-HNNXBMFYSA-N 0 3 345.443 3.327 20 10 EGCDHN CCOc1ccc([O-])c(C[N@H+](CCO)[C@H]2CCc3ccccc32)c1 ZINC000093388070 454709827 /nfs/dbraw/zinc/70/98/27/454709827.db2.gz UWKBOMSZCLCPGC-IBGZPJMESA-N 0 3 327.424 3.273 20 10 EGCDHN CCOc1ccc([O-])c(C[N@@H+](CCO)[C@H]2CCc3ccccc32)c1 ZINC000093388070 454709829 /nfs/dbraw/zinc/70/98/29/454709829.db2.gz UWKBOMSZCLCPGC-IBGZPJMESA-N 0 3 327.424 3.273 20 10 EGCDHN CNC(=O)CC1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000093587787 454722334 /nfs/dbraw/zinc/72/23/34/454722334.db2.gz MRSDJLVJUQKQRY-UHFFFAOYSA-N 0 3 329.488 3.025 20 10 EGCDHN CC[C@H](NCCS(=O)(=O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000154135735 454868438 /nfs/dbraw/zinc/86/84/38/454868438.db2.gz VEPRTDLXNAZAJN-IBGZPJMESA-N 0 3 346.496 3.267 20 10 EGCDHN C[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccc(Br)cc1[O-] ZINC000184997821 455483603 /nfs/dbraw/zinc/48/36/03/455483603.db2.gz KHZAXWKJTMZWQD-RYUDHWBXSA-N 0 3 339.277 3.290 20 10 EGCDHN C[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(N(C)C)cc1 ZINC000151060638 454931475 /nfs/dbraw/zinc/93/14/75/454931475.db2.gz PUFRUERSIZONGF-KRWDZBQOSA-N 0 3 339.483 3.440 20 10 EGCDHN CCN1CCN(c2ccc(CN[C@H](C)c3ccncc3)cc2F)CC1 ZINC000156632560 455139810 /nfs/dbraw/zinc/13/98/10/455139810.db2.gz QVICTRQFYCMRBQ-MRXNPFEDSA-N 0 3 342.462 3.213 20 10 EGCDHN CN(C)C(=O)CC1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000180325325 455157920 /nfs/dbraw/zinc/15/79/20/455157920.db2.gz OHECTOQAHFWFQM-UHFFFAOYSA-N 0 3 343.515 3.367 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCN2CCc3ccccc3C2)c1 ZINC000184923731 455473684 /nfs/dbraw/zinc/47/36/84/455473684.db2.gz NRKFOMSZSKECQV-HNNXBMFYSA-N 0 3 326.440 3.110 20 10 EGCDHN C[C@H]([NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1)c1cc(F)ccc1[O-] ZINC000185033596 455489156 /nfs/dbraw/zinc/48/91/56/455489156.db2.gz QFZYJPPFLGOWSR-KGLIPLIRSA-N 0 3 345.418 3.002 20 10 EGCDHN CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1 ZINC000185123131 455506386 /nfs/dbraw/zinc/50/63/86/455506386.db2.gz YDMREEVWBTWMBX-UONOGXRCSA-N 0 3 348.468 3.021 20 10 EGCDHN CCN(Cc1ccccc1)C(=O)C[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000185195954 455519990 /nfs/dbraw/zinc/51/99/90/455519990.db2.gz AEQSLEBABOFCKH-MRXNPFEDSA-N 0 3 326.440 3.400 20 10 EGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2COc3c(cccc3OC)C2)c1 ZINC000185334641 455542398 /nfs/dbraw/zinc/54/23/98/455542398.db2.gz YPECAXHKOOUJDH-JSGCOSHPSA-N 0 3 329.396 3.064 20 10 EGCDHN Cc1cc(C)c([C@H](C)[NH2+]CC2(N3CCCC3)CCOCC2)c([O-])c1 ZINC000283912909 455610527 /nfs/dbraw/zinc/61/05/27/455610527.db2.gz DJQVUDSLKRIXMA-KRWDZBQOSA-N 0 3 332.488 3.305 20 10 EGCDHN CCc1nn(C)c(OC)c1CN[C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185866881 455637129 /nfs/dbraw/zinc/63/71/29/455637129.db2.gz AHWFTHSZHNHRES-CYBMUJFWSA-N 0 3 343.471 3.426 20 10 EGCDHN C[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1ccc(F)cc1[O-] ZINC000185869892 455638750 /nfs/dbraw/zinc/63/87/50/455638750.db2.gz IYAFIHLHUSJVDA-AWEZNQCLSA-N 0 3 329.419 3.494 20 10 EGCDHN Cc1cc(CN[C@@H](C)c2ccc3c(c2)CC(=O)N3C)ccc1N(C)C ZINC000271498262 455661015 /nfs/dbraw/zinc/66/10/15/455661015.db2.gz MWENXISHEIRPNV-HNNXBMFYSA-N 0 3 337.467 3.431 20 10 EGCDHN Cc1cc(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])n(C)n1 ZINC000284341705 455672029 /nfs/dbraw/zinc/67/20/29/455672029.db2.gz MVJBKGQZYZEWSI-NSHDSACASA-N 0 3 338.249 3.356 20 10 EGCDHN C[C@H]([NH2+]CCc1nc2c(cccc2F)n1C)c1cc(F)ccc1[O-] ZINC000186039392 455682182 /nfs/dbraw/zinc/68/21/82/455682182.db2.gz QCNLDMZXUSVHQN-NSHDSACASA-N 0 3 331.366 3.450 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCc2ccc(OC)c(OC)c2)c1 ZINC000192864084 455708534 /nfs/dbraw/zinc/70/85/34/455708534.db2.gz GTERHWJICGJZQK-CYBMUJFWSA-N 0 3 331.412 3.311 20 10 EGCDHN COc1ccc([C@H](OC)[C@H](C)[NH2+]Cc2cc(OC)ccc2[O-])cc1 ZINC000271775319 455754559 /nfs/dbraw/zinc/75/45/59/455754559.db2.gz CMFKAJPLJFZYJI-ORAYPTAESA-N 0 3 331.412 3.275 20 10 EGCDHN CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1 ZINC000186373693 455755521 /nfs/dbraw/zinc/75/55/21/455755521.db2.gz RHKOSRFECZXBHG-CQSZACIVSA-N 0 3 333.453 3.345 20 10 EGCDHN C[C@@H](c1ccc(F)cc1)N1CCC[C@@H]([NH2+]Cc2ccccc2[O-])C1=O ZINC000292969362 455769126 /nfs/dbraw/zinc/76/91/26/455769126.db2.gz KEXCFAIKXVDILE-KBXCAEBGSA-N 0 3 342.414 3.373 20 10 EGCDHN C[C@H](NCc1ccc(N(C)C)cc1)c1ccc(C(=O)N(C)C)cc1 ZINC000293438437 455786456 /nfs/dbraw/zinc/78/64/56/455786456.db2.gz OSGULOQFCVDFAA-HNNXBMFYSA-N 0 3 325.456 3.305 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@](CO)(C(C)C)C2)c1[O-] ZINC000294127939 455806244 /nfs/dbraw/zinc/80/62/44/455806244.db2.gz UGBUQUJUBNEDQG-QGZVFWFLSA-N 0 3 327.852 3.285 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@](CO)(C(C)C)C2)c1[O-] ZINC000294127939 455806249 /nfs/dbraw/zinc/80/62/49/455806249.db2.gz UGBUQUJUBNEDQG-QGZVFWFLSA-N 0 3 327.852 3.285 20 10 EGCDHN C[C@@H]([NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-])C(=O)NCCF ZINC000294329480 455811585 /nfs/dbraw/zinc/81/15/85/455811585.db2.gz OWDVFXGNVQFKTB-QAPCUYQASA-N 0 3 344.430 3.130 20 10 EGCDHN Cc1cc(C)c([C@H](C)[NH2+]CCNC(=O)c2c(F)cccc2F)c([O-])c1 ZINC000294616298 455821306 /nfs/dbraw/zinc/82/13/06/455821306.db2.gz DZNMEGCSEPBNCM-ZDUSSCGKSA-N 0 3 348.393 3.368 20 10 EGCDHN O=C1CCCN1Cc1cccc(C[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000295828999 455860425 /nfs/dbraw/zinc/86/04/25/455860425.db2.gz DVEMILUGCNUPMH-SFHVURJKSA-N 0 3 336.435 3.292 20 10 EGCDHN CN(C)C(=O)Nc1ccc(CNCc2ccc3c(c2)CCO3)cc1 ZINC000279946496 455877744 /nfs/dbraw/zinc/87/77/44/455877744.db2.gz YGPXQEQFNGHBPK-UHFFFAOYSA-N 0 3 325.412 3.005 20 10 EGCDHN CC[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1ccc(C)cc1[O-] ZINC000280030530 455881483 /nfs/dbraw/zinc/88/14/83/455881483.db2.gz IBYUAMOIWADHJT-GOSISDBHSA-N 0 3 347.480 3.486 20 10 EGCDHN CC[C@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1ccc(C)cc1[O-] ZINC000285822136 455923093 /nfs/dbraw/zinc/92/30/93/455923093.db2.gz XFFWWTJIDFQBTM-HOCLYGCPSA-N 0 3 346.393 3.004 20 10 EGCDHN C[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C[C@@]2(CCOC2)O1 ZINC000280325443 455947107 /nfs/dbraw/zinc/94/71/07/455947107.db2.gz QSDNKZOIUNKZAI-IIBYNOLFSA-N 0 3 339.435 3.439 20 10 EGCDHN C[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C[C@@]2(CCOC2)O1 ZINC000280325443 455947112 /nfs/dbraw/zinc/94/71/12/455947112.db2.gz QSDNKZOIUNKZAI-IIBYNOLFSA-N 0 3 339.435 3.439 20 10 EGCDHN C[NH+](C)C1CCN(c2ccc(NCc3cc(F)ccc3[O-])nc2)CC1 ZINC000272524113 455981757 /nfs/dbraw/zinc/98/17/57/455981757.db2.gz YTMDSDQMYCBHCW-UHFFFAOYSA-N 0 3 344.434 3.069 20 10 EGCDHN O=C1C[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)CN1c1c(F)cccc1F ZINC000296739586 456025775 /nfs/dbraw/zinc/02/57/75/456025775.db2.gz JGMATMRQLWGSNI-WFASDCNBSA-N 0 3 344.361 3.053 20 10 EGCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1 ZINC000272693265 456042544 /nfs/dbraw/zinc/04/25/44/456042544.db2.gz XHYRWLFMDCDHJE-CABCVRRESA-N 0 3 334.460 3.436 20 10 EGCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1 ZINC000272693265 456042548 /nfs/dbraw/zinc/04/25/48/456042548.db2.gz XHYRWLFMDCDHJE-CABCVRRESA-N 0 3 334.460 3.436 20 10 EGCDHN CC(C)C[C@@H]([NH2+][C@@H]1CCc2cccc([O-])c21)C(=O)Nc1nccs1 ZINC000296833367 456048660 /nfs/dbraw/zinc/04/86/60/456048660.db2.gz MRQNSJDCDSUKJL-ZIAGYGMSSA-N 0 3 345.468 3.479 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]CCCN2C(=O)c3ccccc3C2=O)c([O-])c1 ZINC000287584813 456072439 /nfs/dbraw/zinc/07/24/39/456072439.db2.gz RFCUJJJMCWXOQY-CQSZACIVSA-N 0 3 338.407 3.038 20 10 EGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCCN2C(=O)c3ccccc3C2=O)c1 ZINC000287695241 456076077 /nfs/dbraw/zinc/07/60/77/456076077.db2.gz WXCOKMRERTUOON-CQSZACIVSA-N 0 3 338.407 3.038 20 10 EGCDHN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1cccc(-n2ccnn2)c1 ZINC000287689742 456076167 /nfs/dbraw/zinc/07/61/67/456076167.db2.gz NCLMIHIMTPQFMU-AWEZNQCLSA-N 0 3 339.418 3.323 20 10 EGCDHN CC[C@@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)c1ccc(C)cc1[O-] ZINC000297161911 456138303 /nfs/dbraw/zinc/13/83/03/456138303.db2.gz CXOLRNAAMSYZOK-VMBOVVBDSA-N 0 3 339.501 3.345 20 10 EGCDHN CCCCCC(=O)NC1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000271205828 456171557 /nfs/dbraw/zinc/17/15/57/456171557.db2.gz YGUNLDCQYGVAKO-UHFFFAOYSA-N 0 3 331.504 3.414 20 10 EGCDHN COc1cccc(C[NH2+]C2CCN(CCc3ccccc3)CC2)c1[O-] ZINC000263692398 456194508 /nfs/dbraw/zinc/19/45/08/456194508.db2.gz PCTIBKTVRSNOBN-UHFFFAOYSA-N 0 3 340.467 3.198 20 10 EGCDHN CCN1CCC([NH2+][C@@H](C)c2cc(Br)ccc2[O-])CC1 ZINC000273369814 456225445 /nfs/dbraw/zinc/22/54/45/456225445.db2.gz FTXWEXBKEAZMAI-NSHDSACASA-N 0 3 327.266 3.290 20 10 EGCDHN CN(C)CCOc1ccc(NC(=O)Cc2ccc(N)cc2)cc1Cl ZINC000237197346 456245583 /nfs/dbraw/zinc/24/55/83/456245583.db2.gz RYPLANLVQPGMCD-UHFFFAOYSA-N 0 3 347.846 3.044 20 10 EGCDHN CC[C@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)c1ccccc1[O-] ZINC000274783216 456264247 /nfs/dbraw/zinc/26/42/47/456264247.db2.gz PTKNENJJOBFECH-ROUUACIJSA-N 0 3 339.439 3.019 20 10 EGCDHN CC[C@H](N[C@@H]1COc2ccccc2[C@@H]1O)c1ccc(N(C)C)cc1 ZINC000290295902 456282390 /nfs/dbraw/zinc/28/23/90/456282390.db2.gz NFVQQKUJCPMNBE-NSHGMRRFSA-N 0 3 326.440 3.288 20 10 EGCDHN C[C@H](N[C@@H](C)c1ccc(N2CCCCC2)cc1)C(=O)N1CCCC1 ZINC000281706766 456298496 /nfs/dbraw/zinc/29/84/96/456298496.db2.gz TUWHXTQGVCDSJF-IRXDYDNUSA-N 0 3 329.488 3.338 20 10 EGCDHN CCCCN(CCCS(=O)(=O)C(C)C)Cc1ccccc1O ZINC000282388099 456497374 /nfs/dbraw/zinc/49/73/74/456497374.db2.gz GOPFLUJKMNIZKU-UHFFFAOYSA-N 0 3 327.490 3.208 20 10 EGCDHN CCOc1cccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1[O-] ZINC000283066369 456703073 /nfs/dbraw/zinc/70/30/73/456703073.db2.gz PZGLELBSCGDAIA-UHFFFAOYSA-N 0 3 330.384 3.374 20 10 EGCDHN CCOc1cccc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1[O-] ZINC000283066369 456703076 /nfs/dbraw/zinc/70/30/76/456703076.db2.gz PZGLELBSCGDAIA-UHFFFAOYSA-N 0 3 330.384 3.374 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)c1[O-] ZINC000363934733 457464450 /nfs/dbraw/zinc/46/44/50/457464450.db2.gz WFBZHGHCLLCKGB-GFCCVEGCSA-N 0 3 335.835 3.167 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3ccnn3C)C2)c1[O-] ZINC000363934733 457464457 /nfs/dbraw/zinc/46/44/57/457464457.db2.gz WFBZHGHCLLCKGB-GFCCVEGCSA-N 0 3 335.835 3.167 20 10 EGCDHN C[C@H]([NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@H]1CCOC1 ZINC000366298876 457805688 /nfs/dbraw/zinc/80/56/88/457805688.db2.gz KTGQJETXSJXBEF-GRDNDAEWSA-N 0 3 338.879 3.025 20 10 EGCDHN CC[C@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1ccc(C)cc1[O-] ZINC000366420912 457811209 /nfs/dbraw/zinc/81/12/09/457811209.db2.gz XRYIAEJUZHWMAQ-DLBZAZTESA-N 0 3 329.444 3.008 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000373322342 458461807 /nfs/dbraw/zinc/46/18/07/458461807.db2.gz VCYXFFWQUHMMDU-OAQYLSRUSA-N 0 3 339.435 3.318 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000373322342 458461809 /nfs/dbraw/zinc/46/18/09/458461809.db2.gz VCYXFFWQUHMMDU-OAQYLSRUSA-N 0 3 339.435 3.318 20 10 EGCDHN COC(=O)C[C@H]1CCCCN1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000726587683 574562754 /nfs/dbraw/zinc/56/27/54/574562754.db2.gz AFNCGECTSIISSG-OAHLLOKOSA-N 0 3 335.444 3.313 20 10 EGCDHN Fc1cc(CNc2ccnc3ccccc32)ccc1N1CCOCC1 ZINC000731979054 575228991 /nfs/dbraw/zinc/22/89/91/575228991.db2.gz FHDYNVSPKILYKN-UHFFFAOYSA-N 0 3 337.398 3.245 20 10 EGCDHN CN(CC(F)(F)F)C(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000732204143 575244066 /nfs/dbraw/zinc/24/40/66/575244066.db2.gz DPUWKLAWQNLFHF-UHFFFAOYSA-N 0 3 344.377 3.158 20 10 EGCDHN CN(CC(F)(F)F)C(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000732204143 575244070 /nfs/dbraw/zinc/24/40/70/575244070.db2.gz DPUWKLAWQNLFHF-UHFFFAOYSA-N 0 3 344.377 3.158 20 10 EGCDHN CCOc1cccc(CNCC(=O)Nc2cccc(CC)c2)c1O ZINC000732230781 575247127 /nfs/dbraw/zinc/24/71/27/575247127.db2.gz SJPZLOCLYUBKKG-UHFFFAOYSA-N 0 3 328.412 3.082 20 10 EGCDHN CCC(CC)[C@@H](O)CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000732231392 575247567 /nfs/dbraw/zinc/24/75/67/575247567.db2.gz SQUNTLWQGJBBED-IBGZPJMESA-N 0 3 349.475 3.472 20 10 EGCDHN COc1cccc(CNCc2cccc(OC)c2OC(C)C)c1O ZINC000733900998 575407591 /nfs/dbraw/zinc/40/75/91/575407591.db2.gz WMKOTGDARSILMW-UHFFFAOYSA-N 0 3 331.412 3.486 20 10 EGCDHN CN(C)CCOc1ccc(N(C)CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000734058670 575432327 /nfs/dbraw/zinc/43/23/27/575432327.db2.gz XGVULQWGJOXEHP-UHFFFAOYSA-N 0 3 343.427 3.214 20 10 EGCDHN CC[C@H](CN1CCCC1)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000735810649 575718531 /nfs/dbraw/zinc/71/85/31/575718531.db2.gz NHYSAQYXRSLMEM-QGZVFWFLSA-N 0 3 340.471 3.093 20 10 EGCDHN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000741723394 576713706 /nfs/dbraw/zinc/71/37/06/576713706.db2.gz DIUAZDKRIOCQSH-WMZOPIPTSA-N 0 3 325.456 3.307 20 10 EGCDHN Cc1cc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000741725030 576714094 /nfs/dbraw/zinc/71/40/94/576714094.db2.gz QRSGUMWMPODZIN-CXAGYDPISA-N 0 3 343.446 3.446 20 10 EGCDHN CC[C@H]([NH2+]C[C@H](O)COc1cccc(F)c1)c1ccc(C)cc1[O-] ZINC000794805317 1309598553 /nfs/dbraw/zinc/59/85/53/1309598553.db2.gz WWNICRSGMBCEPO-YJBOKZPZSA-N 0 3 333.403 3.320 20 10 EGCDHN CC(C)N(C)CC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000060162095 1291919427 /nfs/dbraw/zinc/91/94/27/1291919427.db2.gz DKHQMCLRMCPBRP-UHFFFAOYSA-N 0 3 331.504 3.412 20 10 EGCDHN CCCN(Cc1ccccc1O)[C@H](C(=O)N(C)C)c1ccccc1 ZINC000076074189 1292418975 /nfs/dbraw/zinc/41/89/75/1292418975.db2.gz JLWJWFUEUFJVKA-IBGZPJMESA-N 0 3 326.440 3.434 20 10 EGCDHN C[C@H](N[C@H]1CC(=O)N(C2CC2)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000090181692 1292790251 /nfs/dbraw/zinc/79/02/51/1292790251.db2.gz ZPMYBDOPRMTARL-HOCLYGCPSA-N 0 3 345.462 3.230 20 10 EGCDHN Cc1ccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)c(N2CCOCC2)c1 ZINC000834619433 1293123937 /nfs/dbraw/zinc/12/39/37/1293123937.db2.gz HCDPLMVRLDHMMH-GOSISDBHSA-N 0 3 338.451 3.314 20 10 EGCDHN CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000834768247 1293143695 /nfs/dbraw/zinc/14/36/95/1293143695.db2.gz ACZOMSMOZNDNJK-BPUTZDHNSA-N 0 3 332.444 3.226 20 10 EGCDHN CC[C@H]([NH2+][C@H]1CCO[C@H](c2ccnn2C)C1)c1ccc(C)cc1[O-] ZINC000834897125 1293168522 /nfs/dbraw/zinc/16/85/22/1293168522.db2.gz PXMZIOHWVRCLPM-QOKNQOGYSA-N 0 3 329.444 3.395 20 10 EGCDHN CNC(=O)C[C@@H](C)[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000834898645 1293169049 /nfs/dbraw/zinc/16/90/49/1293169049.db2.gz APUBVGYCFAIKAL-CRAIPNDOSA-N 0 3 326.440 3.180 20 10 EGCDHN COc1cccc([O-])c1C[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000835057749 1293195209 /nfs/dbraw/zinc/19/52/09/1293195209.db2.gz GBAGTWZUDFUCPH-UHFFFAOYSA-N 0 3 339.435 3.465 20 10 EGCDHN CCN(C)c1ccc([C@H](C)NCC(=O)N(C)Cc2ccccc2)cc1 ZINC000119083440 1293253138 /nfs/dbraw/zinc/25/31/38/1293253138.db2.gz NWYPSFNSDFCNGF-KRWDZBQOSA-N 0 3 339.483 3.452 20 10 EGCDHN CC(C)C[C@@H](O)CN[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000122539041 1293416525 /nfs/dbraw/zinc/41/65/25/1293416525.db2.gz WIAPUWNVNYKLKJ-GDBMZVCRSA-N 0 3 340.895 3.234 20 10 EGCDHN CN(C)c1ccc(CN2CCC[C@@H](CNC(=O)C(C)(C)C)C2)cc1F ZINC000123853012 1293457500 /nfs/dbraw/zinc/45/75/00/1293457500.db2.gz MMSAGPHKKNVWFS-INIZCTEOSA-N 0 3 349.494 3.266 20 10 EGCDHN COc1cccc(CN2CCN(Cc3ccccc3C)CC2)c1O ZINC000179693418 1294816157 /nfs/dbraw/zinc/81/61/57/1294816157.db2.gz AMFJEXBGBWFFAQ-UHFFFAOYSA-N 0 3 326.440 3.027 20 10 EGCDHN COc1ccc(O)c([C@@H](C)NCc2cc(F)cc3c2OCOC3)c1 ZINC000182382617 1295042086 /nfs/dbraw/zinc/04/20/86/1295042086.db2.gz BFYUZFKDASYVRS-LLVKDONJSA-N 0 3 333.359 3.257 20 10 EGCDHN C[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1cc(F)ccc1[O-] ZINC000184865395 1295224981 /nfs/dbraw/zinc/22/49/81/1295224981.db2.gz JNHALEBPXBVYEN-MRVPVSSYSA-N 0 3 342.292 3.238 20 10 EGCDHN CCOC(=O)N[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])CC(C)C ZINC000184949733 1295230928 /nfs/dbraw/zinc/23/09/28/1295230928.db2.gz SYFJRKTWEBKOPE-GXTWGEPZSA-N 0 3 326.412 3.343 20 10 EGCDHN COc1ccc(O)c([C@H](C)Nc2ccc(N3CCN(C)CC3)cc2)c1 ZINC000186401336 1295323871 /nfs/dbraw/zinc/32/38/71/1295323871.db2.gz HGCDAGPXGAKDOP-HNNXBMFYSA-N 0 3 341.455 3.326 20 10 EGCDHN COc1cc(CN2CCC(Oc3ccc(F)nc3)CC2)c(O)cc1C ZINC000189830486 1295545934 /nfs/dbraw/zinc/54/59/34/1295545934.db2.gz KPESHAYLNYJEMV-UHFFFAOYSA-N 0 3 346.402 3.287 20 10 EGCDHN C[C@H](C[NH2+][C@H]1CCc2cccc([O-])c21)CN(C)C(=O)OC(C)(C)C ZINC000310558534 1297093821 /nfs/dbraw/zinc/09/38/21/1297093821.db2.gz JCPGJZLITGRRKV-HIFRSBDPSA-N 0 3 334.460 3.472 20 10 EGCDHN CC(C)(C)OC(=O)NC1(C[NH2+]Cc2cc(F)ccc2[O-])CCCC1 ZINC000699592622 1298171087 /nfs/dbraw/zinc/17/10/87/1298171087.db2.gz IYVLKLMSWJLYQV-UHFFFAOYSA-N 0 3 338.423 3.458 20 10 EGCDHN COc1cccc([O-])c1C[NH2+]C[C@@H](c1ccco1)N1CCCCC1 ZINC000725841780 1298372728 /nfs/dbraw/zinc/37/27/28/1298372728.db2.gz ZNWRSKRLPCXIPR-INIZCTEOSA-N 0 3 330.428 3.311 20 10 EGCDHN Cc1cc(CCNC(=O)CN(C)C(C)C)c(C)n1-c1ccccc1 ZINC000748705721 1299064123 /nfs/dbraw/zinc/06/41/23/1299064123.db2.gz RFIJNHHROKUTAA-UHFFFAOYSA-N 0 3 327.472 3.093 20 10 EGCDHN COc1cc(OC)c(CC[NH2+]Cc2ccc(C)cc2[O-])c(OC)c1 ZINC000877027205 1299119722 /nfs/dbraw/zinc/11/97/22/1299119722.db2.gz LJXUWGOIAGEFDO-UHFFFAOYSA-N 0 3 331.412 3.059 20 10 EGCDHN COc1cc(OC)cc(N2CC[C@@H]([NH2+]Cc3c(C)cccc3[O-])C2)c1 ZINC000877078759 1299148309 /nfs/dbraw/zinc/14/83/09/1299148309.db2.gz DABCSEWVCPFDIV-OAHLLOKOSA-N 0 3 342.439 3.086 20 10 EGCDHN Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CCc3ccccc3)C2)c([O-])c1 ZINC000877085002 1299150142 /nfs/dbraw/zinc/15/01/42/1299150142.db2.gz LEIMYODYMNDHTI-LJQANCHMSA-N 0 3 338.451 3.024 20 10 EGCDHN Cc1cccc([O-])c1C[NH2+]C1CCN([C@H](C)c2ccncc2)CC1 ZINC000877114755 1299162572 /nfs/dbraw/zinc/16/25/72/1299162572.db2.gz ABJAFWLAPSVEOE-MRXNPFEDSA-N 0 3 325.456 3.411 20 10 EGCDHN Cc1ccc(C[NH2+]C2CCN([C@H](C)c3ccncc3)CC2)c([O-])c1 ZINC000877115959 1299162667 /nfs/dbraw/zinc/16/26/67/1299162667.db2.gz XWIMOJLQAXFAJS-MRXNPFEDSA-N 0 3 325.456 3.411 20 10 EGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H]([C@H]4CCOC4)C3)c2c1 ZINC000749799229 1299274057 /nfs/dbraw/zinc/27/40/57/1299274057.db2.gz VDPNRWFQAHJGHQ-CVEARBPZSA-N 0 3 327.424 3.412 20 10 EGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H]([C@H]4CCOC4)C3)c2c1 ZINC000749799229 1299274065 /nfs/dbraw/zinc/27/40/65/1299274065.db2.gz VDPNRWFQAHJGHQ-CVEARBPZSA-N 0 3 327.424 3.412 20 10 EGCDHN Cc1ccc(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)c([O-])c1 ZINC000877416198 1299287745 /nfs/dbraw/zinc/28/77/45/1299287745.db2.gz JVDRXYUTUKTBEH-UHFFFAOYSA-N 0 3 326.444 3.008 20 10 EGCDHN Cc1cccc([O-])c1C[NH2+]CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000877433372 1299294888 /nfs/dbraw/zinc/29/48/88/1299294888.db2.gz QCJZQVUGPHTCEG-UHFFFAOYSA-N 0 3 332.444 3.357 20 10 EGCDHN CC(C)[C@@H](C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)N1CCOCC1 ZINC000756369382 1300478302 /nfs/dbraw/zinc/47/83/02/1300478302.db2.gz SFIKNCKLVUTHSN-FVQBIDKESA-N 0 3 336.451 3.026 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]CCN2CCN(c3ccccc3)CC2)c([O-])c1 ZINC000756395755 1300482604 /nfs/dbraw/zinc/48/26/04/1300482604.db2.gz HBTBDFIYXYUOME-GOSISDBHSA-N 0 3 339.483 3.173 20 10 EGCDHN C[C@H]1C[C@@H]([NH2+]Cc2ccc(-n3cncn3)cc2)c2c1c(F)ccc2[O-] ZINC000756545351 1300518602 /nfs/dbraw/zinc/51/86/02/1300518602.db2.gz LUHCHYBPTSTEAF-BLLLJJGKSA-N 0 3 338.386 3.450 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCc2cnn(CC(F)(F)F)c2)c1 ZINC000756658468 1300542509 /nfs/dbraw/zinc/54/25/09/1300542509.db2.gz JTEREZXCSSDXNE-JTQLQIEISA-N 0 3 329.322 3.010 20 10 EGCDHN CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879647680 1300647635 /nfs/dbraw/zinc/64/76/35/1300647635.db2.gz IDEOKYKEINNCRX-HZPDHXFCSA-N 0 3 326.440 3.480 20 10 EGCDHN Cc1cccc(NC(=O)NC(=O)C[NH2+][C@H](C)c2ccccc2[O-])c1C ZINC000879648170 1300647929 /nfs/dbraw/zinc/64/79/29/1300647929.db2.gz BGESRUZVEQHMMB-CQSZACIVSA-N 0 3 341.411 3.008 20 10 EGCDHN CCCCCc1nnc(NC(=O)CN[C@H](C)c2ccccc2O)s1 ZINC000879648826 1300649674 /nfs/dbraw/zinc/64/96/74/1300649674.db2.gz BGIYDRJOZQOFTL-GFCCVEGCSA-N 0 3 348.472 3.266 20 10 EGCDHN CCCCCc1nnc(NC(=O)C[NH2+][C@H](C)c2ccccc2[O-])s1 ZINC000879648826 1300649680 /nfs/dbraw/zinc/64/96/80/1300649680.db2.gz BGIYDRJOZQOFTL-GFCCVEGCSA-N 0 3 348.472 3.266 20 10 EGCDHN CC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000879648635 1300650150 /nfs/dbraw/zinc/65/01/50/1300650150.db2.gz XBNIOMUVHAFYAK-CHWSQXEVSA-N 0 3 326.396 3.273 20 10 EGCDHN C[C@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1(C)C ZINC000759920493 1301189030 /nfs/dbraw/zinc/18/90/30/1301189030.db2.gz FFGFKOMEFHEMIR-INIZCTEOSA-N 0 3 331.504 3.079 20 10 EGCDHN COc1cc(Cl)cc(CN(C)C[C@H]2COc3ccccc3O2)c1O ZINC000761185069 1301415696 /nfs/dbraw/zinc/41/56/96/1301415696.db2.gz YQBXEBKHVJRMLD-AWEZNQCLSA-N 0 3 349.814 3.326 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+]C2(CO)CCCCC2)c1[O-] ZINC000762786267 1301748647 /nfs/dbraw/zinc/74/86/47/1301748647.db2.gz KGKIRRMEGIEVPA-UHFFFAOYSA-N 0 3 328.250 3.248 20 10 EGCDHN CC[C@H](NCc1ccc(N2CCCCC2)cc1)[C@H](O)C(F)(F)F ZINC000765786773 1302326563 /nfs/dbraw/zinc/32/65/63/1302326563.db2.gz IQGCNKFAFKOLME-HOTGVXAUSA-N 0 3 330.394 3.468 20 10 EGCDHN COc1cccc([O-])c1C[NH2+]CCC(C)(C)NC(=O)OC(C)(C)C ZINC000883274139 1302350496 /nfs/dbraw/zinc/35/04/96/1302350496.db2.gz ADORTMZVGJRGAC-UHFFFAOYSA-N 0 3 338.448 3.184 20 10 EGCDHN Cc1ccccc1C[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C1CC1 ZINC000768440266 1302904193 /nfs/dbraw/zinc/90/41/93/1302904193.db2.gz PVUGZGFRTWFRHE-IBGZPJMESA-N 0 3 325.408 3.291 20 10 EGCDHN Cc1ccccc1C[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C1CC1 ZINC000768440266 1302904197 /nfs/dbraw/zinc/90/41/97/1302904197.db2.gz PVUGZGFRTWFRHE-IBGZPJMESA-N 0 3 325.408 3.291 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](Cc3ccccc3)C1)[C@@H](O)CO2 ZINC000768452132 1302909525 /nfs/dbraw/zinc/90/95/25/1302909525.db2.gz OYILXKHRMUUCFB-UZLBHIALSA-N 0 3 339.435 3.273 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](Cc3ccccc3)C1)[C@@H](O)CO2 ZINC000768452132 1302909530 /nfs/dbraw/zinc/90/95/30/1302909530.db2.gz OYILXKHRMUUCFB-UZLBHIALSA-N 0 3 339.435 3.273 20 10 EGCDHN CN(Cc1ccc(Cl)c(F)c1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768466331 1302913334 /nfs/dbraw/zinc/91/33/34/1302913334.db2.gz ZFXVMBROBMTJII-MRXNPFEDSA-N 0 3 337.778 3.243 20 10 EGCDHN CCC[N@H+](Cc1cccc(NS(C)(=O)=O)c1)Cc1ccccc1[O-] ZINC000769200586 1303070029 /nfs/dbraw/zinc/07/00/29/1303070029.db2.gz APKIMJPXWNKOKG-UHFFFAOYSA-N 0 3 348.468 3.176 20 10 EGCDHN CCC[N@@H+](Cc1cccc(NS(C)(=O)=O)c1)Cc1ccccc1[O-] ZINC000769200586 1303070035 /nfs/dbraw/zinc/07/00/35/1303070035.db2.gz APKIMJPXWNKOKG-UHFFFAOYSA-N 0 3 348.468 3.176 20 10 EGCDHN CCOc1ccc(C[N@H+](CCO)[C@@H]2CCc3ccccc32)c([O-])c1 ZINC000769423380 1303110633 /nfs/dbraw/zinc/11/06/33/1303110633.db2.gz HTPQRCYZESHSAR-LJQANCHMSA-N 0 3 327.424 3.273 20 10 EGCDHN CCOc1ccc(C[N@@H+](CCO)[C@@H]2CCc3ccccc32)c([O-])c1 ZINC000769423380 1303110639 /nfs/dbraw/zinc/11/06/39/1303110639.db2.gz HTPQRCYZESHSAR-LJQANCHMSA-N 0 3 327.424 3.273 20 10 EGCDHN CN1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC000769445899 1303114347 /nfs/dbraw/zinc/11/43/47/1303114347.db2.gz HQTVLMWNGVBKEH-UHFFFAOYSA-N 0 3 346.475 3.111 20 10 EGCDHN CCOc1ccc(O)c(CN2C[C@H](CC)N(C(C)=O)C[C@H]2CC)c1 ZINC000769498084 1303126425 /nfs/dbraw/zinc/12/64/25/1303126425.db2.gz FIZKFMDQZJSZEN-SJORKVTESA-N 0 3 334.460 3.012 20 10 EGCDHN COc1cccc([O-])c1C[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000769712858 1303163087 /nfs/dbraw/zinc/16/30/87/1303163087.db2.gz YIEGWIFXTPSRJF-UHFFFAOYSA-N 0 3 335.444 3.391 20 10 EGCDHN CCOC(=O)N1CC[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000769938718 1303195176 /nfs/dbraw/zinc/19/51/76/1303195176.db2.gz HEUKQOPXBYXUCB-SFHVURJKSA-N 0 3 340.423 3.380 20 10 EGCDHN Cc1cnc(C(C)(C)NCc2ccc(N3CCN(C)CC3)cc2)s1 ZINC000771842101 1303449051 /nfs/dbraw/zinc/44/90/51/1303449051.db2.gz JEXXBDNGGMHXGQ-UHFFFAOYSA-N 0 3 344.528 3.228 20 10 EGCDHN C[C@@H](NCc1ccncc1OCCC[NH+](C)C)c1c([O-])cccc1F ZINC000886610666 1303522485 /nfs/dbraw/zinc/52/24/85/1303522485.db2.gz GXXYSTXENMBYHE-CQSZACIVSA-N 0 3 347.434 3.108 20 10 EGCDHN C[C@H]([NH2+]C[C@H](CO)Cc1cc(F)c(F)c(F)c1)c1ccccc1[O-] ZINC000774396865 1303806664 /nfs/dbraw/zinc/80/66/64/1303806664.db2.gz NVURPGHYWCHYSS-WCQYABFASA-N 0 3 339.357 3.311 20 10 EGCDHN C[C@@H](N[C@H]1CCCN(CC(C)(C)C)C1=O)c1ccc(N(C)C)cc1 ZINC000774485949 1303816046 /nfs/dbraw/zinc/81/60/46/1303816046.db2.gz VFILSWPWXFXBON-QAPCUYQASA-N 0 3 331.504 3.440 20 10 EGCDHN C[C@@H](N[C@@H](C)C(=O)NCCc1cccs1)c1ccc(N(C)C)cc1 ZINC000774486736 1303816224 /nfs/dbraw/zinc/81/62/24/1303816224.db2.gz YJBMOJODTKJJKS-CABCVRRESA-N 0 3 345.512 3.212 20 10 EGCDHN C[C@@H](NCc1ccnc(Cl)c1)c1ccc(N2CCOCC2)cc1 ZINC000775258320 1303932285 /nfs/dbraw/zinc/93/22/85/1303932285.db2.gz XFOAUDWNZHADLK-CQSZACIVSA-N 0 3 331.847 3.422 20 10 EGCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2ccccc2Cl)c1 ZINC000775369307 1303948248 /nfs/dbraw/zinc/94/82/48/1303948248.db2.gz NHPFPAPIIXHBIQ-LLVKDONJSA-N 0 3 334.803 3.344 20 10 EGCDHN CC[C@H]([NH2+]Cc1cccc(NS(C)(=O)=O)c1)c1ccccc1[O-] ZINC000775487836 1303972308 /nfs/dbraw/zinc/97/23/08/1303972308.db2.gz PQZJQBOUMVMPHZ-INIZCTEOSA-N 0 3 334.441 3.005 20 10 EGCDHN C[C@H](NC[C@H]1CN(c2ccccc2)C(=O)O1)c1ccc(N(C)C)cc1 ZINC000775834359 1304047140 /nfs/dbraw/zinc/04/71/40/1304047140.db2.gz SIAIQCCJFNBUKH-KXBFYZLASA-N 0 3 339.439 3.429 20 10 EGCDHN CC[C@H](C)[C@](C)(O)C[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000776174377 1304107022 /nfs/dbraw/zinc/10/70/22/1304107022.db2.gz MWMSBKDDTKOJHA-XHDPSFHLSA-N 0 3 330.266 3.350 20 10 EGCDHN CCOc1ccc(C[NH2+]C[C@H]2COC3(CCCCCC3)O2)c([O-])c1 ZINC000776958289 1304223705 /nfs/dbraw/zinc/22/37/05/1304223705.db2.gz CHDSHGGJHGWELK-KRWDZBQOSA-N 0 3 335.444 3.346 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@@H](O)C2(C)C)c1[O-] ZINC000779063231 1304524763 /nfs/dbraw/zinc/52/47/63/1304524763.db2.gz CWJKRJDDIAFHGN-TVYUQYBPSA-N 0 3 328.250 3.273 20 10 EGCDHN CN(C)c1ccc([C@H](CNC(=O)C2CCC=CCC2)N(C)C)cc1 ZINC000891245899 1304999389 /nfs/dbraw/zinc/99/93/89/1304999389.db2.gz KCYMVGYWSHWOHO-IBGZPJMESA-N 0 3 329.488 3.218 20 10 EGCDHN Cc1ccsc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891257604 1305001242 /nfs/dbraw/zinc/00/12/42/1305001242.db2.gz JBASVCVJXPHLMX-INIZCTEOSA-N 0 3 331.485 3.155 20 10 EGCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccc(Cl)o2)N(C)C)cc1 ZINC000891256417 1305001665 /nfs/dbraw/zinc/00/16/65/1305001665.db2.gz YJBOXBHNYOJYDM-AWEZNQCLSA-N 0 3 335.835 3.032 20 10 EGCDHN Cn1cc(CNCc2ccc(N3CCSCC3)cc2)c(C2CC2)n1 ZINC000892613536 1305470490 /nfs/dbraw/zinc/47/04/90/1305470490.db2.gz VRQGWWSKRYUIOH-UHFFFAOYSA-N 0 3 342.512 3.141 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCc2cncn2C)c1[O-] ZINC000788258333 1305910324 /nfs/dbraw/zinc/91/03/24/1305910324.db2.gz VIQXRYSZTUWXGU-NSHDSACASA-N 0 3 338.249 3.090 20 10 EGCDHN CCN(CC)c1ccc(CNCc2cccn(CC)c2=O)cc1F ZINC000788524875 1305962162 /nfs/dbraw/zinc/96/21/62/1305962162.db2.gz XHHKZJWDCORBKI-UHFFFAOYSA-N 0 3 331.435 3.143 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@]2(N(C)C)CCSC2)c1[O-] ZINC000808700485 1317717092 /nfs/dbraw/zinc/71/70/92/1317717092.db2.gz LSVSPVUKLXAVFQ-LRDDRELGSA-N 0 3 328.909 3.442 20 10 EGCDHN CC1(C)C[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@@H]1O ZINC000790936429 1308891459 /nfs/dbraw/zinc/89/14/59/1308891459.db2.gz CDOUGHMVGFUAFN-IBGZPJMESA-N 0 3 327.424 3.174 20 10 EGCDHN CC1(C)C[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@@H]1O ZINC000790936429 1308891475 /nfs/dbraw/zinc/89/14/75/1308891475.db2.gz CDOUGHMVGFUAFN-IBGZPJMESA-N 0 3 327.424 3.174 20 10 EGCDHN COc1cccc([O-])c1C[NH2+]C[C@](C)(Cc1ccccc1)[C@@H](C)O ZINC000791003309 1308907503 /nfs/dbraw/zinc/90/75/03/1308907503.db2.gz MOZHJVWXAVGHKH-QRWLVFNGSA-N 0 3 329.440 3.120 20 10 EGCDHN CCO[C@@H]1C[C@H](NCc2ccc(N(C)C)cc2C(F)(F)F)[C@@H]1OC ZINC000793080908 1309293147 /nfs/dbraw/zinc/29/31/47/1309293147.db2.gz XCGZYXJXQSHEIT-XHSDSOJGSA-N 0 3 346.393 3.053 20 10 EGCDHN CCO[C@@H]1C[C@@H](NCc2ccc(N(C)C)cc2C(F)(F)F)[C@H]1OC ZINC000793080904 1309293342 /nfs/dbraw/zinc/29/33/42/1309293342.db2.gz XCGZYXJXQSHEIT-BZUAXINKSA-N 0 3 346.393 3.053 20 10 EGCDHN COc1ccc(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])c([O-])c1 ZINC000793389123 1309361580 /nfs/dbraw/zinc/36/15/80/1309361580.db2.gz WYPCBDXLLVRQFE-CYBMUJFWSA-N 0 3 330.384 3.420 20 10 EGCDHN CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1)c1ccc(C)cc1[O-] ZINC000794809257 1309599536 /nfs/dbraw/zinc/59/95/36/1309599536.db2.gz FFGTYQDYYOSBIZ-OTWHNJEPSA-N 0 3 332.488 3.385 20 10 EGCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CSC[C@@H]2C)c1[O-] ZINC000796482513 1310011709 /nfs/dbraw/zinc/01/17/09/1310011709.db2.gz NEOFDMQUELBVMY-GZMMTYOYSA-N 0 3 332.263 3.004 20 10 EGCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000896984855 1310120115 /nfs/dbraw/zinc/12/01/15/1310120115.db2.gz OGWMNJJGERGMNB-HNNXBMFYSA-N 0 3 334.460 3.437 20 10 EGCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000896984855 1310120118 /nfs/dbraw/zinc/12/01/18/1310120118.db2.gz OGWMNJJGERGMNB-HNNXBMFYSA-N 0 3 334.460 3.437 20 10 EGCDHN CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@H](C)c2ccccc2[O-])s1 ZINC000797140985 1310146533 /nfs/dbraw/zinc/14/65/33/1310146533.db2.gz PGJIEAMZVJXPBP-GRYCIOLGSA-N 0 3 348.472 3.120 20 10 EGCDHN CC(=O)c1ccnc(NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000897521180 1310360190 /nfs/dbraw/zinc/36/01/90/1310360190.db2.gz DWIRVDBYWZUOGR-SFHVURJKSA-N 0 3 326.444 3.065 20 10 EGCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CC(C(=O)OC)=C(C)O1 ZINC000801597860 1310971571 /nfs/dbraw/zinc/97/15/71/1310971571.db2.gz PZMZBORMWDESJY-MRXNPFEDSA-N 0 3 333.428 3.230 20 10 EGCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@H]1CC(C(=O)OC)=C(C)O1 ZINC000801597860 1310971576 /nfs/dbraw/zinc/97/15/76/1310971576.db2.gz PZMZBORMWDESJY-MRXNPFEDSA-N 0 3 333.428 3.230 20 10 EGCDHN CC[C@@H](C)[C@H](C[NH2+]Cc1cc(Br)cc(OC)c1[O-])OC ZINC000824596059 1320268150 /nfs/dbraw/zinc/26/81/50/1320268150.db2.gz FRYKARYCFSXPCH-YGRLFVJLSA-N 0 3 346.265 3.314 20 10 EGCDHN Fc1cc(CN2CC(Cc3ccccc3)C2)ccc1N1CCOCC1 ZINC000839128735 1320875707 /nfs/dbraw/zinc/87/57/07/1320875707.db2.gz UECOSYPKTWAYJP-UHFFFAOYSA-N 0 3 340.442 3.337 20 10 EGCDHN CC[C@H](C)N[C@H](CNC(=O)N(C)Cc1ccccc1O)c1ccco1 ZINC000807441345 1317566584 /nfs/dbraw/zinc/56/65/84/1317566584.db2.gz GFNQFFRXRLGBJN-GOEBONIOSA-N 0 3 345.443 3.256 20 10 EGCDHN CCN(CC)c1ccc(CN[C@H]2COc3ccccc3[C@@H]2O)cc1F ZINC000808452789 1317680036 /nfs/dbraw/zinc/68/00/36/1317680036.db2.gz QPJRSYIJRPHRCT-PXNSSMCTSA-N 0 3 344.430 3.256 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](C(C)C)N2CCOCC2)c1[O-] ZINC000808673464 1317711833 /nfs/dbraw/zinc/71/18/33/1317711833.db2.gz PPNWTHIXAPGPDX-WMLDXEAASA-N 0 3 340.895 3.361 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+][C@H]2COc3ccccc3[C@H]2O)c2c1c(F)ccc2[O-] ZINC000808729449 1317724929 /nfs/dbraw/zinc/72/49/29/1317724929.db2.gz JZYFLROOLOEFTN-IJNCGLNKSA-N 0 3 329.371 3.164 20 10 EGCDHN COc1cccc(CN(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)c1O ZINC000809768015 1317896495 /nfs/dbraw/zinc/89/64/95/1317896495.db2.gz ABUMYXCPTKTHQV-GOEBONIOSA-N 0 3 345.464 3.402 20 10 EGCDHN CNC(=O)OC[C@@H]1CCCCN1Cc1ccc(N2CCCCC2)cc1 ZINC000809779695 1317899317 /nfs/dbraw/zinc/89/93/17/1317899317.db2.gz WKMJCYNSKMVHLT-IBGZPJMESA-N 0 3 345.487 3.387 20 10 EGCDHN CCc1ccc([C@@H]2CC[N@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)cc1 ZINC000814224665 1318703184 /nfs/dbraw/zinc/70/31/84/1318703184.db2.gz LGEQPEXGVGRRFN-UZLBHIALSA-N 0 3 339.435 3.370 20 10 EGCDHN CCc1ccc([C@@H]2CC[N@@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)cc1 ZINC000814224665 1318703190 /nfs/dbraw/zinc/70/31/90/1318703190.db2.gz LGEQPEXGVGRRFN-UZLBHIALSA-N 0 3 339.435 3.370 20 10 EGCDHN Cc1cc(CN2CCN(c3cccc(O)c3)CC2)ccc1N(C)C ZINC000815013679 1318866093 /nfs/dbraw/zinc/86/60/93/1318866093.db2.gz PWWRUPHVNPHVKE-UHFFFAOYSA-N 0 3 325.456 3.089 20 10 EGCDHN CCN(C)c1ccc(CN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000815118697 1318897429 /nfs/dbraw/zinc/89/74/29/1318897429.db2.gz ZMFNJSVIEBTAFS-GDBMZVCRSA-N 0 3 330.394 3.135 20 10 EGCDHN C[C@H]([NH2+][C@@H]1CCc2cn[nH]c2C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815588045 1319023287 /nfs/dbraw/zinc/02/32/87/1319023287.db2.gz BGSPPHYZSDZWJA-GXSJLCMTSA-N 0 3 325.334 3.342 20 10 EGCDHN CC[C@@H]([NH2+]CC[C@@H](O)COCc1ccccc1)c1ccccc1[O-] ZINC000858595584 1328805665 /nfs/dbraw/zinc/80/56/65/1328805665.db2.gz RLJWNLFDYQIVSR-IEBWSBKVSA-N 0 3 329.440 3.401 20 10 EGCDHN Cc1c([C@@H](C)NCCc2ccc(N)cc2)nnn1-c1ccc(F)cc1 ZINC000817955913 1319476862 /nfs/dbraw/zinc/47/68/62/1319476862.db2.gz LDQDXMJDRVZPDO-CYBMUJFWSA-N 0 3 339.418 3.190 20 10 EGCDHN COc1cc(Br)cc(C[NH2+][C@@H]2C[C@H]2C2CCC2)c1[O-] ZINC000818230766 1319524456 /nfs/dbraw/zinc/52/44/56/1319524456.db2.gz SDXJHTYAUFSNEU-QWHCGFSZSA-N 0 3 326.234 3.442 20 10 EGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C1(CO)CCCC1 ZINC000824100229 1320228799 /nfs/dbraw/zinc/22/87/99/1320228799.db2.gz ZOFWFAPWCBXMBF-UHFFFAOYSA-N 0 3 327.424 3.366 20 10 EGCDHN CCOc1ccc(C[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)c([O-])c1 ZINC000824947833 1320298461 /nfs/dbraw/zinc/29/84/61/1320298461.db2.gz MEKGUNNFEBUYAK-APWZRJJASA-N 0 3 328.412 3.196 20 10 EGCDHN COCCc1ccc(OC[C@H](C)[NH2+]Cc2ccc(OC)cc2[O-])cc1 ZINC000825753923 1320360638 /nfs/dbraw/zinc/36/06/38/1320360638.db2.gz XBLMOPXYXDCACQ-HNNXBMFYSA-N 0 3 345.439 3.147 20 10 EGCDHN COc1ccc(C[N@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)cc1Cl ZINC000840181959 1321044579 /nfs/dbraw/zinc/04/45/79/1321044579.db2.gz BKKDMHZBIKFODU-INIZCTEOSA-N 0 3 349.814 3.112 20 10 EGCDHN COc1ccc(C[N@@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)cc1Cl ZINC000840181959 1321044583 /nfs/dbraw/zinc/04/45/83/1321044583.db2.gz BKKDMHZBIKFODU-INIZCTEOSA-N 0 3 349.814 3.112 20 10 EGCDHN COc1ccc(CN(C)Cc2cc3c(cc2O)OC[C@@H]3O)cc1Cl ZINC000840181959 1321044588 /nfs/dbraw/zinc/04/45/88/1321044588.db2.gz BKKDMHZBIKFODU-INIZCTEOSA-N 0 3 349.814 3.112 20 10 EGCDHN C[C@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1ccccc1[O-] ZINC000840760079 1321142527 /nfs/dbraw/zinc/14/25/27/1321142527.db2.gz QZQRSIOXRQBOQA-ZDUSSCGKSA-N 0 3 348.393 3.358 20 10 EGCDHN CCNC(=O)c1ccc(CNCc2ccc(N(C)C)cc2C)cc1 ZINC000840930436 1321179718 /nfs/dbraw/zinc/17/97/18/1321179718.db2.gz MANBJKRTDLOVEF-UHFFFAOYSA-N 0 3 325.456 3.101 20 10 EGCDHN CN(C)c1ccc(CN2CC[C@@H]3OCC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000843420643 1321515793 /nfs/dbraw/zinc/51/57/93/1321515793.db2.gz AWBKVUVMZSJFRO-CJNGLKHVSA-N 0 3 328.378 3.382 20 10 EGCDHN COc1cccc([C@@H](C)NCc2ccc(OC)c(OC)c2OC)c1O ZINC000846142246 1321770729 /nfs/dbraw/zinc/77/07/29/1321770729.db2.gz YQRABFCSKNWAEA-GFCCVEGCSA-N 0 3 347.411 3.277 20 10 EGCDHN CCS(=O)(=O)c1ccc(CN[C@@H](C)c2cccc(OC)c2O)cc1 ZINC000846161107 1321773395 /nfs/dbraw/zinc/77/33/95/1321773395.db2.gz ZQSHFKXFBHVUDO-ZDUSSCGKSA-N 0 3 349.452 3.045 20 10 EGCDHN CCc1cccc(CN2CCCN(C(=O)c3ccsc3)CC2)c1O ZINC000848882387 1322028702 /nfs/dbraw/zinc/02/87/02/1322028702.db2.gz ODTQVXCKKHAXMV-UHFFFAOYSA-N 0 3 344.480 3.364 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]C[C@H](C)C(=O)OC(C)(C)C)c1[O-] ZINC000848926706 1322047293 /nfs/dbraw/zinc/04/72/93/1322047293.db2.gz WSOAPRDVCOHPMT-JTQLQIEISA-N 0 3 329.824 3.122 20 10 EGCDHN Cc1cc(C(=O)N[C@H]2CCN(C3CC3)C2)c(C)n1-c1ccccc1C ZINC000920302103 1322160396 /nfs/dbraw/zinc/16/03/96/1322160396.db2.gz GURFLALJGXGPHA-KRWDZBQOSA-N 0 3 337.467 3.369 20 10 EGCDHN COc1ccc(CNCc2ccc(N3CCCNC3=O)cc2)cc1C ZINC000850413836 1322241401 /nfs/dbraw/zinc/24/14/01/1322241401.db2.gz QWPBORCMOICEJU-UHFFFAOYSA-N 0 3 339.439 3.213 20 10 EGCDHN C[N@H+](CC[C@@H]1Sc2ccccc2NC1=O)Cc1ccccc1[O-] ZINC000851841893 1323100067 /nfs/dbraw/zinc/10/00/67/1323100067.db2.gz ZJAFQRWOSXLGKH-KRWDZBQOSA-N 0 3 328.437 3.327 20 10 EGCDHN C[N@@H+](CC[C@@H]1Sc2ccccc2NC1=O)Cc1ccccc1[O-] ZINC000851841893 1323100072 /nfs/dbraw/zinc/10/00/72/1323100072.db2.gz ZJAFQRWOSXLGKH-KRWDZBQOSA-N 0 3 328.437 3.327 20 10 EGCDHN CN(C)c1ccc(CN2CC3CC2(CNC(=O)OC(C)(C)C)C3)cc1 ZINC000852529469 1323206175 /nfs/dbraw/zinc/20/61/75/1323206175.db2.gz VEZYDBXOCIINTM-UHFFFAOYSA-N 0 3 345.487 3.242 20 10 EGCDHN COc1ccc(Br)c(C[N@@H+]2CC[C@H](OC)C[C@@H]2C)c1[O-] ZINC001231556156 1376263592 /nfs/dbraw/zinc/26/35/92/1376263592.db2.gz YIZDKZYHTFQOOB-QWRGUYRKSA-N 0 3 344.249 3.163 20 10 EGCDHN CC(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994249 1358949813 /nfs/dbraw/zinc/94/98/13/1358949813.db2.gz GUYXHLHDYIDCAN-MRXNPFEDSA-N 0 3 345.447 3.041 20 10 EGCDHN COc1ccc(C[N@H+](C[C@H](O)c2ccccc2OC)C(C)C)c([O-])c1 ZINC001203629003 1370192968 /nfs/dbraw/zinc/19/29/68/1370192968.db2.gz NJEJYGGLHHBXLQ-IBGZPJMESA-N 0 3 345.439 3.353 20 10 EGCDHN COc1ccc(C[N@@H+](C[C@H](O)c2ccccc2OC)C(C)C)c([O-])c1 ZINC001203629003 1370192970 /nfs/dbraw/zinc/19/29/70/1370192970.db2.gz NJEJYGGLHHBXLQ-IBGZPJMESA-N 0 3 345.439 3.353 20 10 EGCDHN COc1ccc(CN2CC[C@H](Oc3cc(F)ccc3F)C2)c(O)c1 ZINC001203631037 1370194201 /nfs/dbraw/zinc/19/42/01/1370194201.db2.gz YNCDUFDOXJJNLK-HNNXBMFYSA-N 0 3 335.350 3.332 20 10 EGCDHN COc1ccc(C[N@@H+]2CC[C@H](Oc3cc(F)ccc3F)C2)c([O-])c1 ZINC001203631037 1370194202 /nfs/dbraw/zinc/19/42/02/1370194202.db2.gz YNCDUFDOXJJNLK-HNNXBMFYSA-N 0 3 335.350 3.332 20 10 EGCDHN COc1ccc(C[N@H+]2CC[C@H](Oc3cc(F)ccc3F)C2)c([O-])c1 ZINC001203631037 1370194205 /nfs/dbraw/zinc/19/42/05/1370194205.db2.gz YNCDUFDOXJJNLK-HNNXBMFYSA-N 0 3 335.350 3.332 20 10 EGCDHN CC[N@H+]([C@H]1CCOC1)C1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC001203664208 1370207042 /nfs/dbraw/zinc/20/70/42/1370207042.db2.gz QYWAINOVVHHMEY-KRWDZBQOSA-N 0 3 338.879 3.121 20 10 EGCDHN CC[N@@H+]([C@H]1CCOC1)C1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC001203664208 1370207049 /nfs/dbraw/zinc/20/70/49/1370207049.db2.gz QYWAINOVVHHMEY-KRWDZBQOSA-N 0 3 338.879 3.121 20 10 EGCDHN CN(C)c1ccc(CN2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)cc1 ZINC001203931980 1370319481 /nfs/dbraw/zinc/31/94/81/1370319481.db2.gz ZXAYZEDVGQLDSG-WMZOPIPTSA-N 0 3 345.487 3.194 20 10 EGCDHN COc1ccccc1O[C@@H]1CCC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204275389 1370429175 /nfs/dbraw/zinc/42/91/75/1370429175.db2.gz PXPUOXNFYBZLQD-MRXNPFEDSA-N 0 3 329.396 3.150 20 10 EGCDHN COc1ccccc1O[C@@H]1CCC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204275389 1370429178 /nfs/dbraw/zinc/42/91/78/1370429178.db2.gz PXPUOXNFYBZLQD-MRXNPFEDSA-N 0 3 329.396 3.150 20 10 EGCDHN CC(=O)C1(c2ccccc2)CC[NH+](Cc2ccc(O)cc2[O-])CC1 ZINC001204278627 1370430582 /nfs/dbraw/zinc/43/05/82/1370430582.db2.gz GPUQFACRNLFATP-UHFFFAOYSA-N 0 3 325.408 3.221 20 10 EGCDHN Cc1noc(C2CCN(Cc3ccc(N4CCCC4)cc3)CC2)n1 ZINC001204322979 1370443918 /nfs/dbraw/zinc/44/39/18/1370443918.db2.gz XTOKFWJHTLYSHL-UHFFFAOYSA-N 0 3 326.444 3.358 20 10 EGCDHN Cc1nccnc1O[C@@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001204329739 1370445560 /nfs/dbraw/zinc/44/55/60/1370445560.db2.gz YRRLKJDXSWGESO-LJQANCHMSA-N 0 3 338.455 3.039 20 10 EGCDHN c1cnc(O[C@@H]2CCCN(Cc3ccc(N4CCCC4)cc3)C2)cn1 ZINC001204329372 1370445722 /nfs/dbraw/zinc/44/57/22/1370445722.db2.gz OGJUTLZJYITBFB-LJQANCHMSA-N 0 3 338.455 3.120 20 10 EGCDHN CC(C)(C)OC(=O)N[C@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001116442485 1370912290 /nfs/dbraw/zinc/91/22/90/1370912290.db2.gz YXEQFOULUMIMGD-KRWDZBQOSA-N 0 3 345.487 3.386 20 10 EGCDHN CN(C)c1cc(F)c(CNCCSCC(F)(F)F)cc1F ZINC001118909617 1371248319 /nfs/dbraw/zinc/24/83/19/1371248319.db2.gz VVDMLLAMVHWZOT-UHFFFAOYSA-N 0 3 328.350 3.416 20 10 EGCDHN CCOc1ccc(N2CCN(CCc3ccc(OC)cc3)CC2)cc1 ZINC001207478921 1371407397 /nfs/dbraw/zinc/40/73/97/1371407397.db2.gz NRMVPDYLKKLOQF-UHFFFAOYSA-N 0 3 340.467 3.459 20 10 EGCDHN C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001208228272 1371667132 /nfs/dbraw/zinc/66/71/32/1371667132.db2.gz XLSKWEORJBQPKF-AWEZNQCLSA-N 0 3 325.408 3.358 20 10 EGCDHN C[C@@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCc2cccc([O-])c2C1 ZINC001208228272 1371667188 /nfs/dbraw/zinc/66/71/88/1371667188.db2.gz XLSKWEORJBQPKF-AWEZNQCLSA-N 0 3 325.408 3.358 20 10 EGCDHN COCCCN1CCN(Cc2ccc(-n3c(C)ccc3C)cc2)CC1 ZINC001209517375 1372127082 /nfs/dbraw/zinc/12/70/82/1372127082.db2.gz GCOABMXMXBCNIO-UHFFFAOYSA-N 0 3 341.499 3.248 20 10 EGCDHN COc1ccc(Br)c(C[N@H+]2CC[C@H](OC)C[C@@H]2C)c1[O-] ZINC001231556156 1376263587 /nfs/dbraw/zinc/26/35/87/1376263587.db2.gz YIZDKZYHTFQOOB-QWRGUYRKSA-N 0 3 344.249 3.163 20 10 EGCDHN COc1ccc(Br)c(CN2CC[C@H](OC)C[C@@H]2C)c1O ZINC001231556156 1376263581 /nfs/dbraw/zinc/26/35/81/1376263581.db2.gz YIZDKZYHTFQOOB-QWRGUYRKSA-N 0 3 344.249 3.163 20 10 EGCDHN Oc1ccc(CN2CCc3cccc(O)c3C2)cc1OCC1CC1 ZINC001233227685 1376593040 /nfs/dbraw/zinc/59/30/40/1376593040.db2.gz ACYKOSMJZZLOIT-UHFFFAOYSA-N 0 3 325.408 3.445 20 10 EGCDHN CCOC(=O)[C@@H]1CCN(Cc2cc(C(C)(C)C)ccc2O)CCC1=O ZINC001233285668 1376604643 /nfs/dbraw/zinc/60/46/43/1376604643.db2.gz PGNNDWJFAFZYNQ-MRXNPFEDSA-N 0 3 347.455 3.034 20 10 EGCDHN COc1cc(Cl)cc(CN2CCC3(CC(F)(F)CO3)CC2)c1O ZINC001233288075 1376605134 /nfs/dbraw/zinc/60/51/34/1376605134.db2.gz UWDCJQNNNKZTTC-UHFFFAOYSA-N 0 3 347.789 3.444 20 10 EGCDHN CC(C)c1ccc(C[N@@H+]2CCC[C@@H](Oc3cnccn3)C2)c([O-])c1 ZINC001237051879 1376971891 /nfs/dbraw/zinc/97/18/91/1376971891.db2.gz RNMOSJPLNPRFDR-QGZVFWFLSA-N 0 3 327.428 3.349 20 10 EGCDHN CC(C)c1ccc(C[N@H+]2CCC[C@@H](Oc3cnccn3)C2)c([O-])c1 ZINC001237051879 1376971900 /nfs/dbraw/zinc/97/19/00/1376971900.db2.gz RNMOSJPLNPRFDR-QGZVFWFLSA-N 0 3 327.428 3.349 20 10 EGCDHN CC(C)c1ccc(C[N@@H+]2CC[C@@H](Oc3ncc(F)cn3)C2)c([O-])c1 ZINC001237052466 1376972256 /nfs/dbraw/zinc/97/22/56/1376972256.db2.gz ZZYQYYZSIFJOQB-MRXNPFEDSA-N 0 3 331.391 3.098 20 10 EGCDHN CC(C)c1ccc(C[N@H+]2CC[C@@H](Oc3ncc(F)cn3)C2)c([O-])c1 ZINC001237052466 1376972262 /nfs/dbraw/zinc/97/22/62/1376972262.db2.gz ZZYQYYZSIFJOQB-MRXNPFEDSA-N 0 3 331.391 3.098 20 10 EGCDHN COC(=O)[C@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])[C@H]1C ZINC001237141056 1376976503 /nfs/dbraw/zinc/97/65/03/1376976503.db2.gz UIBYBURSUGHNSD-GWCFXTLKSA-N 0 3 331.334 3.185 20 10 EGCDHN COC(=O)[C@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])[C@H]1C ZINC001237141056 1376976507 /nfs/dbraw/zinc/97/65/07/1376976507.db2.gz UIBYBURSUGHNSD-GWCFXTLKSA-N 0 3 331.334 3.185 20 10 EGCDHN COC(=O)[C@H]1CCCN(Cc2cc(C(F)(F)F)ccc2O)[C@H]1C ZINC001237141056 1376976509 /nfs/dbraw/zinc/97/65/09/1376976509.db2.gz UIBYBURSUGHNSD-GWCFXTLKSA-N 0 3 331.334 3.185 20 10 EGCDHN CC[N@H+](Cc1ccc(F)cc1)Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249208630 1377072614 /nfs/dbraw/zinc/07/26/14/1377072614.db2.gz ZLYKZEWEQTWWOA-UHFFFAOYSA-N 0 3 331.387 3.269 20 10 EGCDHN CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249208630 1377072618 /nfs/dbraw/zinc/07/26/18/1377072618.db2.gz ZLYKZEWEQTWWOA-UHFFFAOYSA-N 0 3 331.387 3.269 20 10 EGCDHN COC(=O)CCc1c(C)[nH]c(CN(C)Cc2ccccc2O)c1C ZINC001136921265 1377439982 /nfs/dbraw/zinc/43/99/82/1377439982.db2.gz XPJQIFMQGMDQQN-UHFFFAOYSA-N 0 3 330.428 3.075 20 10 EGCDHN [O-]c1cccc(F)c1CN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001137839589 1377628712 /nfs/dbraw/zinc/62/87/12/1377628712.db2.gz DXSKMFSRHCPOGM-ZWKOTPCHSA-N 0 3 340.442 3.485 20 10 EGCDHN [O-]c1cccc(F)c1CN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001137839589 1377628715 /nfs/dbraw/zinc/62/87/15/1377628715.db2.gz DXSKMFSRHCPOGM-ZWKOTPCHSA-N 0 3 340.442 3.485 20 10 EGCDHN CC(=O)N(C(C)C)C1CCN(Cc2ccc3c(c2)CCCN3C)CC1 ZINC001138359177 1377709160 /nfs/dbraw/zinc/70/91/60/1377709160.db2.gz MIMUTHQGRICCCK-UHFFFAOYSA-N 0 3 343.515 3.290 20 10 EGCDHN CN1CCCc2cc(CN3CC[C@H](N4CCCCC4)[C@@H](F)C3)ccc21 ZINC001138359711 1377709211 /nfs/dbraw/zinc/70/92/11/1377709211.db2.gz GSFIKAVOBSVADB-FPOVZHCZSA-N 0 3 345.506 3.467 20 10 EGCDHN COc1cc(CN(C)Cc2cc(F)ccc2O)cc(OC)c1OC ZINC001140055024 1377996910 /nfs/dbraw/zinc/99/69/10/1377996910.db2.gz DZNQSXXJNQRTAC-UHFFFAOYSA-N 0 3 335.375 3.189 20 10 EGCDHN CCOC[C@@H]1CN(Cc2c(C)ccc(C)c2O)Cc2cn(CC)nc21 ZINC001140181934 1378027092 /nfs/dbraw/zinc/02/70/92/1378027092.db2.gz ZUVYMZFMGKZUIW-KRWDZBQOSA-N 0 3 343.471 3.361 20 10 EGCDHN CC[C@@H](C)N1CC[C@@]2(CCC[N@H+](Cc3ccccc3[O-])CC2)C1=O ZINC001272618313 1378076287 /nfs/dbraw/zinc/07/62/87/1378076287.db2.gz FMADWRYQNBUREV-UZLBHIALSA-N 0 3 330.472 3.395 20 10 EGCDHN CC[C@@H](C)N1CC[C@@]2(CCC[N@@H+](Cc3ccccc3[O-])CC2)C1=O ZINC001272618313 1378076289 /nfs/dbraw/zinc/07/62/89/1378076289.db2.gz FMADWRYQNBUREV-UZLBHIALSA-N 0 3 330.472 3.395 20 10 EGCDHN CC(C)CN1CC2(CCC1=O)CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001273285288 1378094860 /nfs/dbraw/zinc/09/48/60/1378094860.db2.gz PHZRXLZLCXDXDC-UHFFFAOYSA-N 0 3 348.462 3.392 20 10 EGCDHN COc1ccc(N2CCN(Cc3cc(C)ccc3O)CC2)c(OC)c1 ZINC001140623910 1378100448 /nfs/dbraw/zinc/10/04/48/1378100448.db2.gz WVZYTYAVVWIGCH-UHFFFAOYSA-N 0 3 342.439 3.040 20 10 EGCDHN CN(C)c1ccc(CN2CCC[C@@H](C(=O)N3CCCC3)C2)c(Cl)c1 ZINC001140924839 1378181801 /nfs/dbraw/zinc/18/18/01/1378181801.db2.gz UGXQTSLBHAWOCM-MRXNPFEDSA-N 0 3 349.906 3.240 20 10 EGCDHN CCOc1ccccc1N1CCN(Cc2ccc(C)cc2O)CC1 ZINC001140948445 1378188165 /nfs/dbraw/zinc/18/81/65/1378188165.db2.gz IBNNYJHMSCGIOJ-UHFFFAOYSA-N 0 3 326.440 3.422 20 10 EGCDHN COc1cc(O)c(CN2CC[C@@H](C(=O)c3ccccc3)C2)c(OC)c1 ZINC001141030959 1378213908 /nfs/dbraw/zinc/21/39/08/1378213908.db2.gz SGYQWLWQVDOHTK-OAHLLOKOSA-N 0 3 341.407 3.114 20 10 EGCDHN CN1CCOc2cc(CN3CCC[C@@H](C(=O)OC(C)(C)C)C3)ccc21 ZINC001141142884 1378248962 /nfs/dbraw/zinc/24/89/62/1378248962.db2.gz FEMHVGKLMNSHMM-MRXNPFEDSA-N 0 3 346.471 3.069 20 10 EGCDHN COc1ccccc1O[C@H]1CCCN(Cc2cc(O)ccc2O)C1 ZINC001141158466 1378253027 /nfs/dbraw/zinc/25/30/27/1378253027.db2.gz AMGHWHXEPAJOIA-INIZCTEOSA-N 0 3 329.396 3.150 20 10 EGCDHN Cc1cc2cc[nH]c2c(NCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC001167427041 1383630874 /nfs/dbraw/zinc/63/08/74/1383630874.db2.gz VDNOVDKPPWOKLQ-UHFFFAOYSA-N 0 3 335.455 3.235 20 10 EGCDHN CC[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(C(=O)[O-])cc1 ZINC001595289345 980378499 /nfs/dbraw/zinc/37/84/99/980378499.db2.gz JMLRJZLPNIFVQH-OALUTQOASA-N 0 3 341.455 3.192 20 10 EGCDHN C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593263691 994560242 /nfs/dbraw/zinc/56/02/42/994560242.db2.gz BFQITQSZALZTQZ-HNNXBMFYSA-N 0 3 334.460 3.397 20 10 EGCDHN Cc1ccc([O-])c(C[NH2+]CCCCn2cc(Br)cn2)c1 ZINC000280712174 456036263 /nfs/dbraw/zinc/03/62/63/456036263.db2.gz XGGGWKAPOTUQMJ-UHFFFAOYSA-N 0 3 338.249 3.230 20 10 EGCDHN COC(=O)COc1ccccc1[C@H](C)NCc1ccc(N(C)C)cc1 ZINC000183308297 455275935 /nfs/dbraw/zinc/27/59/35/455275935.db2.gz YDTWHDVGAWKHFX-HNNXBMFYSA-N 0 3 342.439 3.155 20 10 EGCDHN C[C@@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)c1ccccc1[O-] ZINC000183378729 455285394 /nfs/dbraw/zinc/28/53/94/455285394.db2.gz PQQIXLZHHUOQTN-GDBMZVCRSA-N 0 3 332.469 3.178 20 10 EGCDHN C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccccc1[O-] ZINC000183430837 455291697 /nfs/dbraw/zinc/29/16/97/455291697.db2.gz RERNRSGDWFRSRG-CQSZACIVSA-N 0 3 330.403 3.219 20 10 EGCDHN COc1ccc([C@@H](C[NH2+][C@H](C)c2ccccc2[O-])N(C)C)cc1OC ZINC000183591623 455309634 /nfs/dbraw/zinc/30/96/34/455309634.db2.gz XGZMDCFAJOXBRR-RHSMWYFYSA-N 0 3 344.455 3.363 20 10 EGCDHN [O-]c1ccc2ccccc2c1C[NH+]1CCC(CN2CCOCC2)CC1 ZINC000054518608 453933304 /nfs/dbraw/zinc/93/33/04/453933304.db2.gz AVMNJKBGJIMLFO-UHFFFAOYSA-N 0 3 340.467 3.090 20 10 EGCDHN CCOC(=O)CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000265837468 455390597 /nfs/dbraw/zinc/39/05/97/455390597.db2.gz VOZOINGCTMFODP-KRWDZBQOSA-N 0 3 335.444 3.107 20 10 EGCDHN CCOC(=O)CCCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000265837468 455390601 /nfs/dbraw/zinc/39/06/01/455390601.db2.gz VOZOINGCTMFODP-KRWDZBQOSA-N 0 3 335.444 3.107 20 10 EGCDHN CCOc1cccc(C[NH2+]C[C@@H](c2cccc(OC)c2)N(C)C)c1[O-] ZINC000074314397 454561893 /nfs/dbraw/zinc/56/18/93/454561893.db2.gz WVOXGSFCKNXWLT-SFHVURJKSA-N 0 3 344.455 3.192 20 10 EGCDHN Cc1ccc([O-])c(C[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)c1 ZINC000092481358 454572944 /nfs/dbraw/zinc/57/29/44/454572944.db2.gz GZCOMNDSCCBNIO-UHFFFAOYSA-N 0 3 345.487 3.297 20 10 EGCDHN CCCOc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)c([O-])c1 ZINC000092706440 454614376 /nfs/dbraw/zinc/61/43/76/454614376.db2.gz RRZPIAAMFAQTKL-INIZCTEOSA-N 0 3 348.487 3.165 20 10 EGCDHN CCCOc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)c([O-])c1 ZINC000092706440 454614378 /nfs/dbraw/zinc/61/43/78/454614378.db2.gz RRZPIAAMFAQTKL-INIZCTEOSA-N 0 3 348.487 3.165 20 10 EGCDHN CCOc1ccc([O-])c(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c1 ZINC000093842444 454740191 /nfs/dbraw/zinc/74/01/91/454740191.db2.gz VMGOXAYURUKDLI-IBGZPJMESA-N 0 3 349.471 3.341 20 10 EGCDHN CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000108928447 454816868 /nfs/dbraw/zinc/81/68/68/454816868.db2.gz DOFNOZGBKPAEKR-INIZCTEOSA-N 0 3 333.476 3.188 20 10 EGCDHN CN1CCO[C@H]([C@H](NCc2ccccc2O)c2ccc(Cl)cc2)C1 ZINC000154338133 454886531 /nfs/dbraw/zinc/88/65/31/454886531.db2.gz QKWSCKNTBGEHQV-RBUKOAKNSA-N 0 3 346.858 3.207 20 10 EGCDHN CCCNC(=O)C1(NCc2cccc(OCC)c2O)CCCCC1 ZINC000154531483 454904585 /nfs/dbraw/zinc/90/45/85/454904585.db2.gz KMFRJCFRXMNSDY-UHFFFAOYSA-N 0 3 334.460 3.110 20 10 EGCDHN CCCNC(=O)C1([NH2+]Cc2cccc(OCC)c2[O-])CCCCC1 ZINC000154531483 454904589 /nfs/dbraw/zinc/90/45/89/454904589.db2.gz KMFRJCFRXMNSDY-UHFFFAOYSA-N 0 3 334.460 3.110 20 10 EGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]Cc2cccc(OCC(=O)N(C)C)c2)c1 ZINC000185063626 455495445 /nfs/dbraw/zinc/49/54/45/455495445.db2.gz ZJCHXNGZPFBHMO-HNNXBMFYSA-N 0 3 342.439 3.018 20 10 EGCDHN CN(C)c1ccc(CN(C)Cc2cn(C)nc2-c2cccnc2)cc1 ZINC000155184717 454971761 /nfs/dbraw/zinc/97/17/61/454971761.db2.gz YDCQGFOXEQGYCB-UHFFFAOYSA-N 0 3 335.455 3.180 20 10 EGCDHN O=C(Nc1ccc(F)cc1)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000179563686 455058655 /nfs/dbraw/zinc/05/86/55/455058655.db2.gz WYINKAUJTHESQL-UHFFFAOYSA-N 0 3 343.402 3.317 20 10 EGCDHN O=C(CCc1ccccc1)N1CCC[N@@H+](Cc2ccccc2[O-])CC1 ZINC000179563830 455058869 /nfs/dbraw/zinc/05/88/69/455058869.db2.gz MLSVORFDFQZZCH-UHFFFAOYSA-N 0 3 338.451 3.059 20 10 EGCDHN O=C(CCc1ccccc1)N1CCC[N@H+](Cc2ccccc2[O-])CC1 ZINC000179563830 455058874 /nfs/dbraw/zinc/05/88/74/455058874.db2.gz MLSVORFDFQZZCH-UHFFFAOYSA-N 0 3 338.451 3.059 20 10 EGCDHN CCOC[C@@H](O)C[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000179645393 455063838 /nfs/dbraw/zinc/06/38/38/455063838.db2.gz FVGQFASJMQBKLG-LPHOPBHVSA-N 0 3 329.440 3.353 20 10 EGCDHN CCOC[C@@H](O)C[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000179645393 455063842 /nfs/dbraw/zinc/06/38/42/455063842.db2.gz FVGQFASJMQBKLG-LPHOPBHVSA-N 0 3 329.440 3.353 20 10 EGCDHN COc1ccc(N2CCC(NCc3nccn3C(F)F)CC2)cc1 ZINC000118990905 455119870 /nfs/dbraw/zinc/11/98/70/455119870.db2.gz PLGJVAYMUGGXRN-UHFFFAOYSA-N 0 3 336.386 3.045 20 10 EGCDHN CC[C@@H]([NH2+]CCCNC(=O)c1ccc(F)cc1)c1ccccc1[O-] ZINC000156524986 455128247 /nfs/dbraw/zinc/12/82/47/455128247.db2.gz BGQBLFOYZLDYAU-QGZVFWFLSA-N 0 3 330.403 3.392 20 10 EGCDHN Cc1nc2n(n1)C[C@H]([NH2+]Cc1cc(-c3ccccc3)ccc1[O-])CC2 ZINC000263997854 455179838 /nfs/dbraw/zinc/17/98/38/455179838.db2.gz FWYRGHGZOOHAJG-GOSISDBHSA-N 0 3 334.423 3.064 20 10 EGCDHN C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1[O-] ZINC000183442395 455293668 /nfs/dbraw/zinc/29/36/68/455293668.db2.gz VIWDCOOQTBAHLU-CQSZACIVSA-N 0 3 344.430 3.343 20 10 EGCDHN CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000190427541 455314532 /nfs/dbraw/zinc/31/45/32/455314532.db2.gz JXRPSXSOPMFXFB-WMZOPIPTSA-N 0 3 329.444 3.235 20 10 EGCDHN COc1cc(Cl)cc(CN(C)[C@@H]2CCCc3c2cnn3C)c1O ZINC000184701519 455431278 /nfs/dbraw/zinc/43/12/78/455431278.db2.gz KDCPEJJHKKRRMI-CQSZACIVSA-N 0 3 335.835 3.297 20 10 EGCDHN COc1cc(N2CCN(C[C@@H]3CC=CCC3)CC2)cc(OC)c1OC ZINC000184753686 455442882 /nfs/dbraw/zinc/44/28/82/455442882.db2.gz HRJGFTFBYBVTQY-MRXNPFEDSA-N 0 3 346.471 3.191 20 10 EGCDHN Nc1ccc(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC000160433137 455458202 /nfs/dbraw/zinc/45/82/02/455458202.db2.gz JEYUYGFYVPUFLF-HNNXBMFYSA-N 0 3 327.403 3.259 20 10 EGCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H](CN2CCOCC2)c2ccccc2)c1 ZINC000184903910 455469700 /nfs/dbraw/zinc/46/97/00/455469700.db2.gz XXZZLWAOBGQFSR-FXAWDEMLSA-N 0 3 340.467 3.425 20 10 EGCDHN COc1cccc(C[NH2+]C[C@@](C)(Cc2ccccc2)[C@@H](C)O)c1[O-] ZINC000191712964 455511829 /nfs/dbraw/zinc/51/18/29/455511829.db2.gz LANNVQVLPGEHJL-FOIQADDNSA-N 0 3 329.440 3.120 20 10 EGCDHN CC[C@H]([NH2+]C[C@@H](O)c1cc(OC)cc(OC)c1)c1ccccc1[O-] ZINC000185211689 455522614 /nfs/dbraw/zinc/52/26/14/455522614.db2.gz HNAIUMRBCCNOKR-PKOBYXMFSA-N 0 3 331.412 3.184 20 10 EGCDHN C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1)c1ccccc1[O-] ZINC000191836058 455524814 /nfs/dbraw/zinc/52/48/14/455524814.db2.gz USUNDLOVQRIQNW-IEBWSBKVSA-N 0 3 340.467 3.334 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccc(F)c(F)c2)c([O-])c1 ZINC000185375156 455550687 /nfs/dbraw/zinc/55/06/87/455550687.db2.gz DGYYCIHOZYAHKP-OLZOCXBDSA-N 0 3 337.366 3.069 20 10 EGCDHN COc1cc([O-])c(C[NH+]2CCC(c3ccncc3)CC2)cc1OC ZINC000277655225 455626324 /nfs/dbraw/zinc/62/63/24/455626324.db2.gz MIMRBZAKOXMIIW-UHFFFAOYSA-N 0 3 328.412 3.184 20 10 EGCDHN COc1cc(O)c(CN2CCC(c3ccncc3)CC2)cc1OC ZINC000277655225 455626328 /nfs/dbraw/zinc/62/63/28/455626328.db2.gz MIMRBZAKOXMIIW-UHFFFAOYSA-N 0 3 328.412 3.184 20 10 EGCDHN Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)nc2)c([O-])c1 ZINC000284157973 455644285 /nfs/dbraw/zinc/64/42/85/455644285.db2.gz PPVKBMDHGJVWKN-INIZCTEOSA-N 0 3 341.455 3.091 20 10 EGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCCNC(=O)c2ccc(F)cc2)c1 ZINC000186013455 455674415 /nfs/dbraw/zinc/67/44/15/455674415.db2.gz BHNCAUSHRMZBTE-AWEZNQCLSA-N 0 3 330.403 3.310 20 10 EGCDHN Cc1ccc(O)c([C@@H](C)N[C@H]2CCN(c3ccccc3F)C2=O)c1 ZINC000186022451 455677934 /nfs/dbraw/zinc/67/79/34/455677934.db2.gz VBCCCIVGYUQVAZ-CJNGLKHVSA-N 0 3 328.387 3.296 20 10 EGCDHN C[C@@H](N[C@H]1CCN(Cc2ccccc2)C1=O)c1ccc(N(C)C)cc1 ZINC000271541853 455678008 /nfs/dbraw/zinc/67/80/08/455678008.db2.gz YPMLCHXUTNWRBB-UZLBHIALSA-N 0 3 337.467 3.204 20 10 EGCDHN COc1ccc([C@H](CN(C)C)[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000284430473 455684110 /nfs/dbraw/zinc/68/41/10/455684110.db2.gz RWYPSAQFUDIXOE-UGSOOPFHSA-N 0 3 332.419 3.493 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCc2nc3cc(F)ccc3n2C)c1 ZINC000186061033 455686203 /nfs/dbraw/zinc/68/62/03/455686203.db2.gz ZKECCXVDPYSXKW-GFCCVEGCSA-N 0 3 343.402 3.320 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCc2cccnc2OCC(F)F)c1 ZINC000186199213 455715823 /nfs/dbraw/zinc/71/58/23/455715823.db2.gz SPBKSLHTUQRICN-NSHDSACASA-N 0 3 338.354 3.291 20 10 EGCDHN COc1ccc(O)c([C@@H](C)NCc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000271684431 455722133 /nfs/dbraw/zinc/72/21/33/455722133.db2.gz JATLQLUFGVGTJS-LLVKDONJSA-N 0 3 332.356 3.168 20 10 EGCDHN CC[C@@H]([NH2+]CCCN1C(=O)c2ccccc2C1=O)c1ccccc1[O-] ZINC000271753211 455746616 /nfs/dbraw/zinc/74/66/16/455746616.db2.gz XZKSWZOWNLHSON-QGZVFWFLSA-N 0 3 338.407 3.119 20 10 EGCDHN CCCN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])c1ccc(C[NH3+])cc1 ZINC000278123264 455763888 /nfs/dbraw/zinc/76/38/88/455763888.db2.gz BFTXBKFLAUREGR-UHFFFAOYSA-N 0 3 345.399 3.184 20 10 EGCDHN Cc1cc(CN2CCC[C@H](CNC(=O)C(C)C)C2)ccc1N(C)C ZINC000293003634 455770520 /nfs/dbraw/zinc/77/05/20/455770520.db2.gz HAJLGEVABZZYNZ-GOSISDBHSA-N 0 3 331.504 3.045 20 10 EGCDHN Cc1cc(CN2CCC(CC(=O)N3CCCC3)CC2)ccc1N(C)C ZINC000293347737 455783417 /nfs/dbraw/zinc/78/34/17/455783417.db2.gz DLUFJOIAFMMHFB-UHFFFAOYSA-N 0 3 343.515 3.286 20 10 EGCDHN CC[C@H]([NH2+]Cc1cccc(N2CCOCC2)c1)c1ccccc1[O-] ZINC000293703008 455794405 /nfs/dbraw/zinc/79/44/05/455794405.db2.gz MFBRAVZUJBNSFW-IBGZPJMESA-N 0 3 326.440 3.470 20 10 EGCDHN [O-]c1cc2c(cc1C[NH2+][C@H](c1ccccc1)C1(CO)CCC1)OCO2 ZINC000293939834 455801277 /nfs/dbraw/zinc/80/12/77/455801277.db2.gz OGBBBKMIUXTEFN-LJQANCHMSA-N 0 3 341.407 3.114 20 10 EGCDHN OCC1([C@H](NCc2cc3c(cc2O)OCO3)c2ccccc2)CCC1 ZINC000293939834 455801281 /nfs/dbraw/zinc/80/12/81/455801281.db2.gz OGBBBKMIUXTEFN-LJQANCHMSA-N 0 3 341.407 3.114 20 10 EGCDHN Cc1cc(C)c([C@H](C)[NH2+]C2CCN(c3cccnn3)CC2)c([O-])c1 ZINC000285302449 455820839 /nfs/dbraw/zinc/82/08/39/455820839.db2.gz SCHAHCZKVAWNRH-HNNXBMFYSA-N 0 3 326.444 3.119 20 10 EGCDHN C[C@@H](C[S@@](C)=O)NCc1ccc(N(C)Cc2cccs2)cc1 ZINC000294669664 455823560 /nfs/dbraw/zinc/82/35/60/455823560.db2.gz ALRIYKSXQDNYQC-RCDICMHDSA-N 0 3 336.526 3.241 20 10 EGCDHN COC[C@H](O)CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000294789934 455827908 /nfs/dbraw/zinc/82/79/08/455827908.db2.gz OFLDTFORBRXWNC-MJGOQNOKSA-N 0 3 329.440 3.053 20 10 EGCDHN C[NH+](C)[C@H]1CCN(c2ccc(NCc3c([O-])cccc3Cl)nc2)C1 ZINC000269511766 455848901 /nfs/dbraw/zinc/84/89/01/455848901.db2.gz OQCAWMPUBZLXTP-AWEZNQCLSA-N 0 3 346.862 3.193 20 10 EGCDHN CC[C@@H]([NH2+][C@@H]1CCCN(c2ccnn2C)C1)c1ccc(C)cc1[O-] ZINC000279923777 455878356 /nfs/dbraw/zinc/87/83/56/455878356.db2.gz AJISWWBKMKMVIP-NVXWUHKLSA-N 0 3 328.460 3.144 20 10 EGCDHN CC[C@H]([NH2+]Cc1ccc(OCCO)c(OC)c1)c1ccc(C)cc1[O-] ZINC000279959358 455879222 /nfs/dbraw/zinc/87/92/22/455879222.db2.gz CEHMGLIYBCWBSA-KRWDZBQOSA-N 0 3 345.439 3.321 20 10 EGCDHN CC[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(F)cc1[O-] ZINC000286328783 456025420 /nfs/dbraw/zinc/02/54/20/456025420.db2.gz XWKRFBBYGWGSIS-KBXCAEBGSA-N 0 3 336.451 3.073 20 10 EGCDHN CC[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(F)cc1[O-] ZINC000286328789 456025487 /nfs/dbraw/zinc/02/54/87/456025487.db2.gz XWKRFBBYGWGSIS-KDOFPFPSSA-N 0 3 336.451 3.073 20 10 EGCDHN CC[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287306077 456066958 /nfs/dbraw/zinc/06/69/58/456066958.db2.gz CSEOUYIQQVABSP-CQSZACIVSA-N 0 3 347.286 3.196 20 10 EGCDHN CN(C)c1ccc(CN(Cc2ccc(C(N)=O)cc2)C2CC2)cc1F ZINC000271067456 456117919 /nfs/dbraw/zinc/11/79/19/456117919.db2.gz CVTWXSPQNMGZKQ-UHFFFAOYSA-N 0 3 341.430 3.155 20 10 EGCDHN COc1cccc(C[NH2+]C2CCN(c3ccc(F)cc3F)CC2)c1[O-] ZINC000289383874 456123653 /nfs/dbraw/zinc/12/36/53/456123653.db2.gz CYCAAOXADXXMGU-UHFFFAOYSA-N 0 3 348.393 3.438 20 10 EGCDHN COc1cccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c1[O-] ZINC000289649625 456135456 /nfs/dbraw/zinc/13/54/56/456135456.db2.gz MSVZSIUWBOWAKD-CEXWTWQISA-N 0 3 339.435 3.405 20 10 EGCDHN COc1cccc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c1[O-] ZINC000289649625 456135462 /nfs/dbraw/zinc/13/54/62/456135462.db2.gz MSVZSIUWBOWAKD-CEXWTWQISA-N 0 3 339.435 3.405 20 10 EGCDHN CCCOc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c([O-])c1 ZINC000289842861 456152605 /nfs/dbraw/zinc/15/26/05/456152605.db2.gz URFDHICOBAIFDZ-DZGCQCFKSA-N 0 3 347.377 3.174 20 10 EGCDHN CCCOc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c([O-])c1 ZINC000289842861 456152609 /nfs/dbraw/zinc/15/26/09/456152609.db2.gz URFDHICOBAIFDZ-DZGCQCFKSA-N 0 3 347.377 3.174 20 10 EGCDHN C[C@H]([NH2+][C@@H]1CCN2CCCC[C@H]12)c1ccc(Br)cc1[O-] ZINC000273363626 456225392 /nfs/dbraw/zinc/22/53/92/456225392.db2.gz DJSPMWOJGXABDG-NILFDRSVSA-N 0 3 339.277 3.432 20 10 EGCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2CC(C)(C)NC(C)(C)C2)c1 ZINC000273440184 456231383 /nfs/dbraw/zinc/23/13/83/456231383.db2.gz YGISTQKLZRFXFR-GFCCVEGCSA-N 0 3 334.460 3.139 20 10 EGCDHN COc1cccc(C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2C)c1[O-] ZINC000274316484 456255345 /nfs/dbraw/zinc/25/53/45/456255345.db2.gz WMTCQEMKXXBJSV-CRAIPNDOSA-N 0 3 326.440 3.011 20 10 EGCDHN CCN1CCN(c2cccc(NC(=O)c3c(F)cccc3F)c2)CC1 ZINC000274517825 456259988 /nfs/dbraw/zinc/25/99/88/456259988.db2.gz ZDWYMSVWQVOGNH-UHFFFAOYSA-N 0 3 345.393 3.359 20 10 EGCDHN Cc1cccc(C[NH+]2CCC(Oc3cncc(Cl)n3)CC2)c1[O-] ZINC000275164784 456271167 /nfs/dbraw/zinc/27/11/67/456271167.db2.gz ZZUBSAXQQKCDQY-UHFFFAOYSA-N 0 3 333.819 3.187 20 10 EGCDHN Cc1cccc(CN2CCC(Oc3cncc(Cl)n3)CC2)c1O ZINC000275164784 456271170 /nfs/dbraw/zinc/27/11/70/456271170.db2.gz ZZUBSAXQQKCDQY-UHFFFAOYSA-N 0 3 333.819 3.187 20 10 EGCDHN CCN(CC)c1ccc(CN[C@H]2CCCO[C@@H]2c2nccn2C)cc1 ZINC000275505075 456276520 /nfs/dbraw/zinc/27/65/20/456276520.db2.gz JVHPZRLFODGWLW-OALUTQOASA-N 0 3 342.487 3.276 20 10 EGCDHN Cc1cc(N2CCC([NH2+][C@@H]3CCc4cccc([O-])c43)CC2)nc(C)n1 ZINC000297856763 456311674 /nfs/dbraw/zinc/31/16/74/456311674.db2.gz TWSUJMSAITXMFF-QGZVFWFLSA-N 0 3 338.455 3.045 20 10 EGCDHN C[C@H]([NH2+]C[C@H]1CN2CCC[C@H]2CO1)c1ccc2ccccc2c1[O-] ZINC000325762002 456686283 /nfs/dbraw/zinc/68/62/83/456686283.db2.gz BFBXSRBYXNVDJW-XIRDDKMYSA-N 0 3 326.440 3.059 20 10 EGCDHN C[C@H](C[S@](C)=O)NCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000375742455 458045989 /nfs/dbraw/zinc/04/59/89/458045989.db2.gz LPGWFUYNOGKJLI-GYCJOSAFSA-N 0 3 342.508 3.106 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC([C@@H](O)c3ncc[nH]3)CC2)cc1 ZINC000369100741 458081729 /nfs/dbraw/zinc/08/17/29/458081729.db2.gz RIQONPBJNBKWFP-LJQANCHMSA-N 0 3 342.487 3.202 20 10 EGCDHN CN(Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000070758207 546569291 /nfs/dbraw/zinc/56/92/91/546569291.db2.gz QQIGPANKSMVYOR-UHFFFAOYSA-N 0 3 341.411 3.063 20 10 EGCDHN O=[N+]([O-])c1ccc([C@@H](O)CNCc2ccc(N3CCCC3)cc2)cc1 ZINC000731678410 575199423 /nfs/dbraw/zinc/19/94/23/575199423.db2.gz LZDFHIOLIFGKBM-IBGZPJMESA-N 0 3 341.411 3.018 20 10 EGCDHN COC(=O)[C@H]1CC12CC[NH+](Cc1c([O-])ccc3ccccc31)CC2 ZINC000733792149 575390090 /nfs/dbraw/zinc/39/00/90/575390090.db2.gz WMCXTRQLAXMVCG-QGZVFWFLSA-N 0 3 325.408 3.321 20 10 EGCDHN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000734471658 575496825 /nfs/dbraw/zinc/49/68/25/575496825.db2.gz SNUNRFUMNHUWTC-LJQANCHMSA-N 0 3 331.504 3.188 20 10 EGCDHN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCN(C)[C@H](C)C2)cc1 ZINC000741723389 576713729 /nfs/dbraw/zinc/71/37/29/576713729.db2.gz DIUAZDKRIOCQSH-AEFFLSMTSA-N 0 3 325.456 3.307 20 10 EGCDHN CCN(CC)c1ccc(CNC(=O)CN2[C@H](C)CC[C@@H]2C)cc1F ZINC000742253424 576762792 /nfs/dbraw/zinc/76/27/92/576762792.db2.gz PSWXPSYIZNNPOY-GASCZTMLSA-N 0 3 335.467 3.161 20 10 EGCDHN [O-]c1c(Br)cccc1C[NH2+]CCCN1CCCCC1 ZINC000048795126 1291619072 /nfs/dbraw/zinc/61/90/72/1291619072.db2.gz ZOCQHGBPSKDSBD-UHFFFAOYSA-N 0 3 327.266 3.120 20 10 EGCDHN CCCN(CC(=O)N(C)Cc1ccccc1F)Cc1ccccc1O ZINC000069009874 1292227033 /nfs/dbraw/zinc/22/70/33/1292227033.db2.gz QWFXHPRRTAGJHV-UHFFFAOYSA-N 0 3 344.430 3.402 20 10 EGCDHN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000827949855 1292410837 /nfs/dbraw/zinc/41/08/37/1292410837.db2.gz OKSQYQKUDGJJMG-CYBMUJFWSA-N 0 3 326.843 3.396 20 10 EGCDHN C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)c1cc([O-])cs1 ZINC000830184892 1292680931 /nfs/dbraw/zinc/68/09/31/1292680931.db2.gz DJMPGZLDKIFDIQ-ZIAGYGMSSA-N 0 3 344.480 3.340 20 10 EGCDHN Cc1cc(O)c(CN2CCN(Cc3cccc(O)c3)CC2)cc1C ZINC000092789543 1292889712 /nfs/dbraw/zinc/88/97/12/1292889712.db2.gz HBENMVUADLJICT-UHFFFAOYSA-N 0 3 326.440 3.032 20 10 EGCDHN [O-]c1cccc2c1[C@@H]([NH2+]CC1(CN3CCOCC3)CCCCC1)CC2 ZINC000834615240 1293122920 /nfs/dbraw/zinc/12/29/20/1293122920.db2.gz CBPUCSOUQOSQRN-SFHVURJKSA-N 0 3 344.499 3.252 20 10 EGCDHN CCN1CCN(c2ccc(CN[C@H](C)c3ccoc3)cc2F)CC1 ZINC000177972485 1294707833 /nfs/dbraw/zinc/70/78/33/1294707833.db2.gz IYKHIYOVUCNABY-OAHLLOKOSA-N 0 3 331.435 3.411 20 10 EGCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2cccc(SC)c2)c1 ZINC000182313221 1295034228 /nfs/dbraw/zinc/03/42/28/1295034228.db2.gz GIIMZTDEUMBTGO-GFCCVEGCSA-N 0 3 346.452 3.412 20 10 EGCDHN C[C@H]([NH2+][C@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccccc1[O-] ZINC000183555242 1295130385 /nfs/dbraw/zinc/13/03/85/1295130385.db2.gz WTEZKYZVBCPZBP-WMZOPIPTSA-N 0 3 338.451 3.277 20 10 EGCDHN CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)c1ccccc1[O-] ZINC000183627742 1295135463 /nfs/dbraw/zinc/13/54/63/1295135463.db2.gz YSSNJAQYTIBLFI-CABCVRRESA-N 0 3 333.453 3.295 20 10 EGCDHN CO[C@]1(C)CCC[N@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000230299869 1296162686 /nfs/dbraw/zinc/16/26/86/1296162686.db2.gz WUAFCHVYYQPOMB-OAHLLOKOSA-N 0 3 328.250 3.464 20 10 EGCDHN CO[C@]1(C)CCC[N@@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000230299869 1296162694 /nfs/dbraw/zinc/16/26/94/1296162694.db2.gz WUAFCHVYYQPOMB-OAHLLOKOSA-N 0 3 328.250 3.464 20 10 EGCDHN CO[C@]1(C)CCCN(Cc2cc(Br)cc(C)c2O)C1 ZINC000230299869 1296162701 /nfs/dbraw/zinc/16/27/01/1296162701.db2.gz WUAFCHVYYQPOMB-OAHLLOKOSA-N 0 3 328.250 3.464 20 10 EGCDHN COc1cc2c(cc1CNCc1cccc(OC)c1O)O[C@@H](C)C2 ZINC000237392091 1296239636 /nfs/dbraw/zinc/23/96/36/1296239636.db2.gz LLJOCHXNEZNGFR-LBPRGKRZSA-N 0 3 329.396 3.023 20 10 EGCDHN C[C@@H](C[NH2+][C@H]1CCc2cccc([O-])c21)CN(C)C(=O)OC(C)(C)C ZINC000310558536 1297095473 /nfs/dbraw/zinc/09/54/73/1297095473.db2.gz JCPGJZLITGRRKV-ZFWWWQNUSA-N 0 3 334.460 3.472 20 10 EGCDHN CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000310563715 1297098373 /nfs/dbraw/zinc/09/83/73/1297098373.db2.gz KUUTXMUGUJJARP-GJZGRUSLSA-N 0 3 332.444 3.369 20 10 EGCDHN Oc1cc2c(cc1CN[C@@H]1CCCOc3ccc(F)cc31)OCO2 ZINC000725848929 1298373498 /nfs/dbraw/zinc/37/34/98/1298373498.db2.gz MGUHPBBGTMWSFR-CQSZACIVSA-N 0 3 331.343 3.264 20 10 EGCDHN COC(=O)C[C@H]1CCCCN1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000748049735 1298917592 /nfs/dbraw/zinc/91/75/92/1298917592.db2.gz PMGGWXAOJBIBST-CQSZACIVSA-N 0 3 339.819 3.166 20 10 EGCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000876736216 1298946650 /nfs/dbraw/zinc/94/66/50/1298946650.db2.gz UKYMWVKWALOHDW-GOEBONIOSA-N 0 3 334.460 3.436 20 10 EGCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000876736216 1298946655 /nfs/dbraw/zinc/94/66/55/1298946655.db2.gz UKYMWVKWALOHDW-GOEBONIOSA-N 0 3 334.460 3.436 20 10 EGCDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000876994768 1299105555 /nfs/dbraw/zinc/10/55/55/1299105555.db2.gz MSNYERYHUOOTDA-OAHLLOKOSA-N 0 3 334.460 3.437 20 10 EGCDHN COc1cc(OC)cc(N2CC[C@H]([NH2+]Cc3c(C)cccc3[O-])C2)c1 ZINC000877078758 1299149341 /nfs/dbraw/zinc/14/93/41/1299149341.db2.gz DABCSEWVCPFDIV-HNNXBMFYSA-N 0 3 342.439 3.086 20 10 EGCDHN Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)Cc3ccccc3)C2)c([O-])c1 ZINC000877503480 1299352485 /nfs/dbraw/zinc/35/24/85/1299352485.db2.gz NLJUBRMTPBKLAA-IBGZPJMESA-N 0 3 338.451 3.024 20 10 EGCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000877574161 1299408939 /nfs/dbraw/zinc/40/89/39/1299408939.db2.gz BTCIHXKJEXPMFR-GJZGRUSLSA-N 0 3 334.460 3.484 20 10 EGCDHN Cc1ccc(C[N@H+](CCC(=O)OC(C)(C)C)C2CCOCC2)c([O-])c1 ZINC000877603721 1299424977 /nfs/dbraw/zinc/42/49/77/1299424977.db2.gz TYOQRYDEAHPQBR-UHFFFAOYSA-N 0 3 349.471 3.413 20 10 EGCDHN Cc1ccc(C[N@@H+](CCC(=O)OC(C)(C)C)C2CCOCC2)c([O-])c1 ZINC000877603721 1299424982 /nfs/dbraw/zinc/42/49/82/1299424982.db2.gz TYOQRYDEAHPQBR-UHFFFAOYSA-N 0 3 349.471 3.413 20 10 EGCDHN C[C@@H]([NH2+]Cc1ccccc1N1CCO[C@@H](C)C1)c1ccccc1[O-] ZINC000877755692 1299530691 /nfs/dbraw/zinc/53/06/91/1299530691.db2.gz LRIJCBPPZCTIMZ-JKSUJKDBSA-N 0 3 326.440 3.468 20 10 EGCDHN Cc1nn(C)c(OCC(F)(F)F)c1CN[C@H](C)c1ccccc1O ZINC000877756256 1299533052 /nfs/dbraw/zinc/53/30/52/1299533052.db2.gz CFWOCPBSPYYMBV-SNVBAGLBSA-N 0 3 343.349 3.226 20 10 EGCDHN C[C@H](Cc1cnccn1)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000753553615 1299971489 /nfs/dbraw/zinc/97/14/89/1299971489.db2.gz YOOLBELOIRKSAG-MRXNPFEDSA-N 0 3 349.434 3.482 20 10 EGCDHN C/C(=C/c1ccccc1)C[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000754863073 1300232771 /nfs/dbraw/zinc/23/27/71/1300232771.db2.gz PTLQWLWFKOHSAL-HTJTXACHSA-N 0 3 325.408 3.353 20 10 EGCDHN C/C(=C/c1ccccc1)C[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000754863073 1300232782 /nfs/dbraw/zinc/23/27/82/1300232782.db2.gz PTLQWLWFKOHSAL-HTJTXACHSA-N 0 3 325.408 3.353 20 10 EGCDHN Cc1cccc(C(=O)NCC[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)c1 ZINC000756461391 1300497106 /nfs/dbraw/zinc/49/71/06/1300497106.db2.gz SGSNOYQXKCIMBP-CZUORRHYSA-N 0 3 342.414 3.408 20 10 EGCDHN CNC(=O)c1cccc(C[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)c1 ZINC000756465843 1300498506 /nfs/dbraw/zinc/49/85/06/1300498506.db2.gz MDOGOJMPKNMDGR-IAQYHMDHSA-N 0 3 328.387 3.229 20 10 EGCDHN COc1cccc(N2CC[C@@H]([NH2+][C@@H](C)c3cc(F)ccc3[O-])C2)c1 ZINC000756538689 1300517568 /nfs/dbraw/zinc/51/75/68/1300517568.db2.gz FABPPKXGVZXCCI-DZGCQCFKSA-N 0 3 330.403 3.469 20 10 EGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@H](CO)CC(F)(F)F ZINC000756993757 1300606982 /nfs/dbraw/zinc/60/69/82/1300606982.db2.gz FTQMMOCFWKDTJP-HNNXBMFYSA-N 0 3 325.330 3.462 20 10 EGCDHN CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000879648482 1300647312 /nfs/dbraw/zinc/64/73/12/1300647312.db2.gz QVRUTPHVJMIWAV-OLZOCXBDSA-N 0 3 326.396 3.273 20 10 EGCDHN CCC[C@@H]1CCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000757851066 1300746958 /nfs/dbraw/zinc/74/69/58/1300746958.db2.gz ZMRHBMQYFDFDRL-QGZVFWFLSA-N 0 3 331.504 3.223 20 10 EGCDHN [O-]c1ccccc1C[NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000758578199 1300916378 /nfs/dbraw/zinc/91/63/78/1300916378.db2.gz BSMFZNIXKQMQBP-UXHICEINSA-N 0 3 329.415 3.395 20 10 EGCDHN COc1cccc([O-])c1C[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000759281541 1301057172 /nfs/dbraw/zinc/05/71/72/1301057172.db2.gz IQBNOPKRZRYJCQ-UHFFFAOYSA-N 0 3 341.436 3.252 20 10 EGCDHN C[C@H](N[C@H](CO)CC(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC000760041269 1301212427 /nfs/dbraw/zinc/21/24/27/1301212427.db2.gz XRGAMWSGMLXWCI-JSGCOSHPSA-N 0 3 330.394 3.483 20 10 EGCDHN COCC[C@H](Cc1ccco1)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000761215654 1301421829 /nfs/dbraw/zinc/42/18/29/1301421829.db2.gz LBVPQAVMXZWLOB-CQSZACIVSA-N 0 3 339.819 3.385 20 10 EGCDHN CC[C@@H]([NH2+]Cc1ccc(N2CCNC2=O)cc1)c1ccccc1[O-] ZINC000883286557 1302365652 /nfs/dbraw/zinc/36/56/52/1302365652.db2.gz WBMLVVRJQRTOIO-QGZVFWFLSA-N 0 3 325.412 3.163 20 10 EGCDHN CO[C@H](CN[C@H](C)c1ccc(N2CCOCC2)cc1Cl)C(C)C ZINC000766365452 1302439619 /nfs/dbraw/zinc/43/96/19/1302439619.db2.gz FWSLVBKZXDWDMX-RDTXWAMCSA-N 0 3 340.895 3.498 20 10 EGCDHN C[C@H](N[C@H]1CCCN(C)C1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000766436635 1302452548 /nfs/dbraw/zinc/45/25/48/1302452548.db2.gz KRCDERHPABEUPP-YOEHRIQHSA-N 0 3 333.451 3.087 20 10 EGCDHN O=C1C[C@H]([NH2+]Cc2ccccc2[O-])CN1c1ccc(Cl)c(F)c1 ZINC000766492712 1302462632 /nfs/dbraw/zinc/46/26/32/1302462632.db2.gz VJVPPPXGPIGZFX-LBPRGKRZSA-N 0 3 334.778 3.080 20 10 EGCDHN CCN(CC)c1ccc(CN(C)Cc2c[nH]c(C(=O)OC)c2)cc1 ZINC000768209020 1302855025 /nfs/dbraw/zinc/85/50/25/1302855025.db2.gz XCPRUMKKQYIHOM-UHFFFAOYSA-N 0 3 329.444 3.280 20 10 EGCDHN Oc1ccc(-c2ccccc2)cc1CN1CCN(c2cnccn2)CC1 ZINC000768417982 1302898052 /nfs/dbraw/zinc/89/80/52/1302898052.db2.gz ROASQQDINXXMBE-UHFFFAOYSA-N 0 3 346.434 3.171 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1cccc(F)c1)[C@H](O)CO2 ZINC000768442594 1302904208 /nfs/dbraw/zinc/90/42/08/1302904208.db2.gz MGNMDXSPRNZKSL-SJLPKXTDSA-N 0 3 329.371 3.294 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1c1cccc(F)c1)[C@H](O)CO2 ZINC000768442594 1302904212 /nfs/dbraw/zinc/90/42/12/1302904212.db2.gz MGNMDXSPRNZKSL-SJLPKXTDSA-N 0 3 329.371 3.294 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+](CCc1ccc(F)cc1)C1CC1)[C@@H](O)CO2 ZINC000768448680 1302910187 /nfs/dbraw/zinc/91/01/87/1302910187.db2.gz VIIMFFXNHSTEDD-IBGZPJMESA-N 0 3 343.398 3.164 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+](CCc1ccc(F)cc1)C1CC1)[C@@H](O)CO2 ZINC000768448680 1302910200 /nfs/dbraw/zinc/91/02/00/1302910200.db2.gz VIIMFFXNHSTEDD-IBGZPJMESA-N 0 3 343.398 3.164 20 10 EGCDHN C[C@@H]1C[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC[C@@H]1c1ccccc1 ZINC000768466457 1302913731 /nfs/dbraw/zinc/91/37/31/1302913731.db2.gz QKHGZTJTLHBBHQ-LIVBEALHSA-N 0 3 339.435 3.444 20 10 EGCDHN C[C@@H]1C[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC[C@@H]1c1ccccc1 ZINC000768466457 1302913737 /nfs/dbraw/zinc/91/37/37/1302913737.db2.gz QKHGZTJTLHBBHQ-LIVBEALHSA-N 0 3 339.435 3.444 20 10 EGCDHN CCOc1ccc(C[N@H+](CCO)[C@H]2CCc3ccccc32)c([O-])c1 ZINC000769423379 1303110279 /nfs/dbraw/zinc/11/02/79/1303110279.db2.gz HTPQRCYZESHSAR-IBGZPJMESA-N 0 3 327.424 3.273 20 10 EGCDHN CCOc1ccc(C[N@@H+](CCO)[C@H]2CCc3ccccc32)c([O-])c1 ZINC000769423379 1303110284 /nfs/dbraw/zinc/11/02/84/1303110284.db2.gz HTPQRCYZESHSAR-IBGZPJMESA-N 0 3 327.424 3.273 20 10 EGCDHN CCOc1ccc(O)c(CN2C[C@H](CC)N(C(C)=O)C[C@@H]2CC)c1 ZINC000769498083 1303127126 /nfs/dbraw/zinc/12/71/26/1303127126.db2.gz FIZKFMDQZJSZEN-IRXDYDNUSA-N 0 3 334.460 3.012 20 10 EGCDHN COC(=O)[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C[C@H]1C ZINC000769514564 1303133319 /nfs/dbraw/zinc/13/33/19/1303133319.db2.gz JMCWWNSIHWGKOR-RDTXWAMCSA-N 0 3 325.408 3.300 20 10 EGCDHN COC(=O)[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C[C@H]1C ZINC000769514564 1303133327 /nfs/dbraw/zinc/13/33/27/1303133327.db2.gz JMCWWNSIHWGKOR-RDTXWAMCSA-N 0 3 325.408 3.300 20 10 EGCDHN CC(C)(C)OC(=O)N1CC[C@@H]([N@H+](Cc2ccccc2[O-])C2CC2)C1 ZINC000770506171 1303278676 /nfs/dbraw/zinc/27/86/76/1303278676.db2.gz WNOZNMZSIFZZKU-MRXNPFEDSA-N 0 3 332.444 3.366 20 10 EGCDHN CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+](Cc2ccccc2[O-])C2CC2)C1 ZINC000770506171 1303278681 /nfs/dbraw/zinc/27/86/81/1303278681.db2.gz WNOZNMZSIFZZKU-MRXNPFEDSA-N 0 3 332.444 3.366 20 10 EGCDHN COc1cc(C)cc(CN2CCC(Oc3ncccc3F)CC2)c1O ZINC000773352569 1303666828 /nfs/dbraw/zinc/66/68/28/1303666828.db2.gz VOTFUJMOOGPXKO-UHFFFAOYSA-N 0 3 346.402 3.287 20 10 EGCDHN COc1cc(Br)cc(C[NH2+]C[C@@H]2CCC[C@@H]2OC)c1[O-] ZINC000774832149 1303864329 /nfs/dbraw/zinc/86/43/29/1303864329.db2.gz JMTFUZOWBOHXHU-GWCFXTLKSA-N 0 3 344.249 3.068 20 10 EGCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N(C)[C@@H](C)c2ccccc2)c1 ZINC000775371447 1303948551 /nfs/dbraw/zinc/94/85/51/1303948551.db2.gz XYFVSCUHEJTXIW-CABCVRRESA-N 0 3 342.439 3.271 20 10 EGCDHN COc1cccc([O-])c1C[NH2+]C[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000775373861 1303948989 /nfs/dbraw/zinc/94/89/89/1303948989.db2.gz DHXPGPRLAUTMAG-LJQANCHMSA-N 0 3 340.467 3.401 20 10 EGCDHN Cc1ccc(NC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)cc1F ZINC000775830176 1304045365 /nfs/dbraw/zinc/04/53/65/1304045365.db2.gz FFTQMUYRFWEOQS-AWEZNQCLSA-N 0 3 329.419 3.489 20 10 EGCDHN Cc1ccsc1CNC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775830629 1304045691 /nfs/dbraw/zinc/04/56/91/1304045691.db2.gz LFZAPGAZOQEDIA-AWEZNQCLSA-N 0 3 331.485 3.090 20 10 EGCDHN C[C@H](NCC(=O)N(C)CC1CCCCC1)c1ccc(N(C)C)cc1 ZINC000775835787 1304047655 /nfs/dbraw/zinc/04/76/55/1304047655.db2.gz JKSUPFFOTBZGAH-INIZCTEOSA-N 0 3 331.504 3.442 20 10 EGCDHN O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cccc(O)c1[O-] ZINC000776596857 1304178322 /nfs/dbraw/zinc/17/83/22/1304178322.db2.gz LOVRDGUBMFNWOA-UHFFFAOYSA-N 0 3 332.444 3.016 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@H]([C@H](C)O)C2)c1[O-] ZINC000780891997 1304748953 /nfs/dbraw/zinc/74/89/53/1304748953.db2.gz FZZWCBQKKDTMIT-RYUDHWBXSA-N 0 3 328.250 3.056 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@H]([C@H](C)O)C2)c1[O-] ZINC000780891997 1304748954 /nfs/dbraw/zinc/74/89/54/1304748954.db2.gz FZZWCBQKKDTMIT-RYUDHWBXSA-N 0 3 328.250 3.056 20 10 EGCDHN Cc1cscc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891253369 1305000029 /nfs/dbraw/zinc/00/00/29/1305000029.db2.gz RRTQUJMNVXLRJE-QGZVFWFLSA-N 0 3 331.485 3.155 20 10 EGCDHN Cc1ccsc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891257605 1305001498 /nfs/dbraw/zinc/00/14/98/1305001498.db2.gz JBASVCVJXPHLMX-MRXNPFEDSA-N 0 3 331.485 3.155 20 10 EGCDHN COC1CCN(C2(C[NH2+][C@H](C)c3ccccc3[O-])CCCC2)CC1 ZINC000783510689 1305101394 /nfs/dbraw/zinc/10/13/94/1305101394.db2.gz ROUGFNHADBBFMS-MRXNPFEDSA-N 0 3 332.488 3.466 20 10 EGCDHN O=S1(=O)CCCC[C@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000784620013 1305265606 /nfs/dbraw/zinc/26/56/06/1305265606.db2.gz BOGBGRPBZCKYBV-SFHVURJKSA-N 0 3 345.464 3.116 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)c1[O-] ZINC000785987221 1305486790 /nfs/dbraw/zinc/48/67/90/1305486790.db2.gz GQBVUPCUTZXUSC-ITDIGPHOSA-N 0 3 342.277 3.444 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)c1[O-] ZINC000785987221 1305486801 /nfs/dbraw/zinc/48/68/01/1305486801.db2.gz GQBVUPCUTZXUSC-ITDIGPHOSA-N 0 3 342.277 3.444 20 10 EGCDHN COc1cc(C)cc(CN2CCC[C@H](OCC(F)(F)F)C2)c1O ZINC000893962622 1306149994 /nfs/dbraw/zinc/14/99/94/1306149994.db2.gz PBTFRMNKRXIMFM-ZDUSSCGKSA-N 0 3 333.350 3.253 20 10 EGCDHN CC(C)N(Cc1ccc(N(C)C)cc1)[C@H]1CCCN(C(C)C)C1=O ZINC000790266848 1306286532 /nfs/dbraw/zinc/28/65/32/1306286532.db2.gz QSUNMHGKKMHULO-IBGZPJMESA-N 0 3 331.504 3.362 20 10 EGCDHN COc1ccc(CN2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c(O)c1OC ZINC000894296872 1306328230 /nfs/dbraw/zinc/32/82/30/1306328230.db2.gz WJPNOKAKBZVDFN-SWLSCSKDSA-N 0 3 346.254 3.425 20 10 EGCDHN COc1cc(C)cc(CNCc2ccc(C)nc2N2CCCC2)c1O ZINC000894433761 1308880614 /nfs/dbraw/zinc/88/06/14/1308880614.db2.gz BQNKWFNWROBCJK-UHFFFAOYSA-N 0 3 341.455 3.303 20 10 EGCDHN COc1cc(C)cc(CNCc2ccnc(C(F)(F)F)c2)c1O ZINC000894883443 1309114149 /nfs/dbraw/zinc/11/41/49/1309114149.db2.gz XNAJOGSPXYERTK-UHFFFAOYSA-N 0 3 326.318 3.413 20 10 EGCDHN C[C@H](O)[C@H]1CCCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000793060380 1309289185 /nfs/dbraw/zinc/28/91/85/1309289185.db2.gz AXHKFPHLFSUOFJ-STQMWFEESA-N 0 3 330.394 3.364 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]CCc2ccc3c[nH]nc3c2)c1[O-] ZINC000793611004 1309416871 /nfs/dbraw/zinc/41/68/71/1309416871.db2.gz ZWRHHKSPTGNFSE-UHFFFAOYSA-N 0 3 331.803 3.263 20 10 EGCDHN CC[C@H]([NH2+][C@@H]1CCCC[C@H]1N1CCOCC1)c1ccc(C)cc1[O-] ZINC000794809256 1309599790 /nfs/dbraw/zinc/59/97/90/1309599790.db2.gz FFGTYQDYYOSBIZ-IPMKNSEASA-N 0 3 332.488 3.385 20 10 EGCDHN COC(=O)CC1(CN(Cc2ccco2)Cc2ccccc2O)CC1 ZINC000799308021 1310522061 /nfs/dbraw/zinc/52/20/61/1310522061.db2.gz SKNHMKASSCHIQK-UHFFFAOYSA-N 0 3 329.396 3.331 20 10 EGCDHN CCOCc1cc(CNCc2ccc3nonc3c2)ccc1OC ZINC000897993478 1310545373 /nfs/dbraw/zinc/54/53/73/1310545373.db2.gz DPCUWNXBOIRASX-UHFFFAOYSA-N 0 3 327.384 3.058 20 10 EGCDHN O=c1ccccn1C[C@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccccc1 ZINC000800545051 1310781059 /nfs/dbraw/zinc/78/10/59/1310781059.db2.gz IVCIRUJDOTXJNB-SFHVURJKSA-N 0 3 338.382 3.224 20 10 EGCDHN COC[C@]1(C)CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000824576648 1320266996 /nfs/dbraw/zinc/26/69/96/1320266996.db2.gz PYWIHQWWYYESFH-LJQANCHMSA-N 0 3 347.459 3.444 20 10 EGCDHN Cc1cc(Br)c([O-])c(CN(C)[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000825338184 1320329915 /nfs/dbraw/zinc/32/99/15/1320329915.db2.gz NFVCRBBECLFUQM-AWEZNQCLSA-N 0 3 341.293 3.378 20 10 EGCDHN Cc1cc(Br)c([O-])c(CN(C)[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000825338184 1320329918 /nfs/dbraw/zinc/32/99/18/1320329918.db2.gz NFVCRBBECLFUQM-AWEZNQCLSA-N 0 3 341.293 3.378 20 10 EGCDHN Cc1cc(Br)c([O-])c(C[N@@H+](C)[C@H]2CCN(C(C)C)C2)c1 ZINC000825338184 1320329923 /nfs/dbraw/zinc/32/99/23/1320329923.db2.gz NFVCRBBECLFUQM-AWEZNQCLSA-N 0 3 341.293 3.378 20 10 EGCDHN Cc1cc(Br)c([O-])c(C[N@H+](C)[C@H]2CCN(C(C)C)C2)c1 ZINC000825338184 1320329927 /nfs/dbraw/zinc/32/99/27/1320329927.db2.gz NFVCRBBECLFUQM-AWEZNQCLSA-N 0 3 341.293 3.378 20 10 EGCDHN CN(C)c1ccc([C@H](CNC(=S)Nc2ccccc2)N(C)C)cc1 ZINC000899725053 1317138367 /nfs/dbraw/zinc/13/83/67/1317138367.db2.gz ROUZDAKMRXWLOB-SFHVURJKSA-N 0 3 342.512 3.342 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c1[O-] ZINC000808710801 1317719272 /nfs/dbraw/zinc/71/92/72/1317719272.db2.gz VPUQBZVQDZLBIX-JDFRZJQESA-N 0 3 325.836 3.343 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+][C@H]2COc3ccccc3[C@@H]2O)c2c1c(F)ccc2[O-] ZINC000808729448 1317724735 /nfs/dbraw/zinc/72/47/35/1317724735.db2.gz JZYFLROOLOEFTN-FSTCNJTKSA-N 0 3 329.371 3.164 20 10 EGCDHN COc1cc2c(c(CNCc3cccc(OC)c3O)c1)O[C@H](C)C2 ZINC000809740153 1317885667 /nfs/dbraw/zinc/88/56/67/1317885667.db2.gz NDGBKRDWBUBFMU-GFCCVEGCSA-N 0 3 329.396 3.023 20 10 EGCDHN CCCC[N@H+](CCCO)Cc1cc(Br)cc(C)c1[O-] ZINC000809752822 1317890108 /nfs/dbraw/zinc/89/01/08/1317890108.db2.gz WCILKJFESARDBK-UHFFFAOYSA-N 0 3 330.266 3.448 20 10 EGCDHN CCCC[N@@H+](CCCO)Cc1cc(Br)cc(C)c1[O-] ZINC000809752822 1317890112 /nfs/dbraw/zinc/89/01/12/1317890112.db2.gz WCILKJFESARDBK-UHFFFAOYSA-N 0 3 330.266 3.448 20 10 EGCDHN CCOc1ccc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)c([O-])c1 ZINC000810164499 1317966351 /nfs/dbraw/zinc/96/63/51/1317966351.db2.gz DWZMPBKGGFEVRG-AZUAARDMSA-N 0 3 327.424 3.047 20 10 EGCDHN CCOc1ccc(C[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)c([O-])c1 ZINC000811512826 1318189533 /nfs/dbraw/zinc/18/95/33/1318189533.db2.gz LKLFVUCGVUINDT-GOSISDBHSA-N 0 3 338.451 3.428 20 10 EGCDHN CCOc1ccc(C[N@H+]2CCCN3c4ccccc4C[C@@H]3C2)c([O-])c1 ZINC000811512826 1318189538 /nfs/dbraw/zinc/18/95/38/1318189538.db2.gz LKLFVUCGVUINDT-GOSISDBHSA-N 0 3 338.451 3.428 20 10 EGCDHN CCC[N@H+](Cc1cc(C(=O)OC)c(C)n1C)Cc1ccccc1[O-] ZINC000812744545 1318447588 /nfs/dbraw/zinc/44/75/88/1318447588.db2.gz RVQJMJYSQZYRBX-UHFFFAOYSA-N 0 3 330.428 3.238 20 10 EGCDHN CCC[N@@H+](Cc1cc(C(=O)OC)c(C)n1C)Cc1ccccc1[O-] ZINC000812744545 1318447595 /nfs/dbraw/zinc/44/75/95/1318447595.db2.gz RVQJMJYSQZYRBX-UHFFFAOYSA-N 0 3 330.428 3.238 20 10 EGCDHN CCNC(=O)[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])C(C)C ZINC000815145447 1318911696 /nfs/dbraw/zinc/91/16/96/1318911696.db2.gz UQVGINIMYJPHTN-IBGZPJMESA-N 0 3 326.440 3.310 20 10 EGCDHN C[C@@H](C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-])S(C)(=O)=O ZINC000815597875 1319024327 /nfs/dbraw/zinc/02/43/27/1319024327.db2.gz IAPBAVRDGHNKQP-MAUKXSAKSA-N 0 3 347.480 3.089 20 10 EGCDHN COc1ccc(N2CC[C@H](CN[C@H](C)c3cc4n(n3)CCC4)C2)cc1 ZINC000818341883 1319530597 /nfs/dbraw/zinc/53/05/97/1319530597.db2.gz IDAPGKXHRUNWQZ-HZPDHXFCSA-N 0 3 340.471 3.015 20 10 EGCDHN COc1cc(Br)cc(CN2CC[C@H](SC)C2)c1O ZINC000824683779 1320276888 /nfs/dbraw/zinc/27/68/88/1320276888.db2.gz VSHYPQZWBSECSY-NSHDSACASA-N 0 3 332.263 3.101 20 10 EGCDHN COc1ccc(N2CCC(N[C@H]3C[C@H](C)n4ccnc43)CC2)cc1 ZINC000825016720 1320304541 /nfs/dbraw/zinc/30/45/41/1320304541.db2.gz GXHCEHGEADZBMW-KSSFIOAISA-N 0 3 326.444 3.156 20 10 EGCDHN CCCC[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@@H]1CCCC[C@H]1OC ZINC000840136183 1321036079 /nfs/dbraw/zinc/03/60/79/1321036079.db2.gz YRYNMEXKDGFZAH-NZSAHSFTSA-N 0 3 349.471 3.378 20 10 EGCDHN CCCC[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@@H]1CCCC[C@H]1OC ZINC000840136183 1321036083 /nfs/dbraw/zinc/03/60/83/1321036083.db2.gz YRYNMEXKDGFZAH-NZSAHSFTSA-N 0 3 349.471 3.378 20 10 EGCDHN C[C@H]([NH2+][C@H](COC(N)=O)Cc1ccccc1)c1cc(F)ccc1[O-] ZINC000840865010 1321165003 /nfs/dbraw/zinc/16/50/03/1321165003.db2.gz SLSBQRUXLKQPQP-WFASDCNBSA-N 0 3 332.375 3.303 20 10 EGCDHN Cc1cc(N(C)C)ccc1CN1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000840942130 1321182739 /nfs/dbraw/zinc/18/27/39/1321182739.db2.gz SYZLVPMQAZUFMF-GDBMZVCRSA-N 0 3 330.394 3.196 20 10 EGCDHN COc1cc(Br)cc(C[NH2+][C@@H](C)C2(OC)CCC2)c1[O-] ZINC000840969168 1321189934 /nfs/dbraw/zinc/18/99/34/1321189934.db2.gz BQULRMFCERJOTF-JTQLQIEISA-N 0 3 344.249 3.211 20 10 EGCDHN Cc1cc(N(C)C)ccc1C[C@H](C)NCc1cn(C(C)(C)C)nn1 ZINC000840975175 1321192067 /nfs/dbraw/zinc/19/20/67/1321192067.db2.gz DLIFMHZPODTDFL-HNNXBMFYSA-N 0 3 329.492 3.128 20 10 EGCDHN C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)c1ccc(Cl)cc1[O-] ZINC000841750773 1321306952 /nfs/dbraw/zinc/30/69/52/1321306952.db2.gz JCEMODURPFZWBF-JCURWCKSSA-N 0 3 338.879 3.074 20 10 EGCDHN COCCCC[N@H+](C)Cc1cc(Br)cc(OC)c1[O-] ZINC000841894053 1321328093 /nfs/dbraw/zinc/32/80/93/1321328093.db2.gz LGMNHRQIXMMZOU-UHFFFAOYSA-N 0 3 332.238 3.022 20 10 EGCDHN COCCCC[N@@H+](C)Cc1cc(Br)cc(OC)c1[O-] ZINC000841894053 1321328097 /nfs/dbraw/zinc/32/80/97/1321328097.db2.gz LGMNHRQIXMMZOU-UHFFFAOYSA-N 0 3 332.238 3.022 20 10 EGCDHN CC(C)(C)N1CC[C@@H](NCc2ccc(N3CCCCC3)cc2)C1=O ZINC000842720809 1321423985 /nfs/dbraw/zinc/42/39/85/1321423985.db2.gz MLWADPWFJHFBDO-GOSISDBHSA-N 0 3 329.488 3.166 20 10 EGCDHN CC[C@@H]([NH2+][C@@H]1CCc2cccc([O-])c21)C(=O)NCc1cccs1 ZINC000842907073 1321448666 /nfs/dbraw/zinc/44/86/66/1321448666.db2.gz CKNUJPLQSAWVJH-HUUCEWRRSA-N 0 3 330.453 3.126 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCc2cc(F)c(OC)cc2OC)c1 ZINC000845970683 1321760223 /nfs/dbraw/zinc/76/02/23/1321760223.db2.gz BQOASUPLTGWKKR-NSHDSACASA-N 0 3 335.375 3.408 20 10 EGCDHN COc1cccc([C@H](C)NCc2ccc(OC)c([N+](=O)[O-])c2)c1O ZINC000846142994 1321771452 /nfs/dbraw/zinc/77/14/52/1321771452.db2.gz XLIDTDRKQLIENU-NSHDSACASA-N 0 3 332.356 3.168 20 10 EGCDHN COc1cc(CNC(C)(C)C(=O)N2CCCC2)c(O)c(C(C)(C)C)c1 ZINC000850282830 1322222872 /nfs/dbraw/zinc/22/28/72/1322222872.db2.gz CVRGKWRFLRLHLT-UHFFFAOYSA-N 0 3 348.487 3.189 20 10 EGCDHN CCOc1ccc(C[NH2+]C[C@@H](O)c2cc(F)c(F)c(F)c2)c([O-])c1 ZINC000850418994 1322244149 /nfs/dbraw/zinc/24/41/49/1322244149.db2.gz SCOOXGWXLGTYLH-MRXNPFEDSA-N 0 3 341.329 3.031 20 10 EGCDHN COc1ccc(N2C[C@H]([NH2+][C@@H](C)c3ccc(C)cc3[O-])CC2=O)cc1 ZINC000850516257 1322259824 /nfs/dbraw/zinc/25/98/24/1322259824.db2.gz UBXWWNOEYASKKE-LSDHHAIUSA-N 0 3 340.423 3.165 20 10 EGCDHN C[C@@H](NCC1(S(C)(=O)=O)CCCCC1)c1ccc(N(C)C)cc1 ZINC000850532790 1322262163 /nfs/dbraw/zinc/26/21/63/1322262163.db2.gz XFJLBOBYQRNVCS-OAHLLOKOSA-N 0 3 338.517 3.151 20 10 EGCDHN OC1CCN(c2ccc(CN[C@H](c3ccccn3)C3CC3)cc2)CC1 ZINC000922581100 1322562691 /nfs/dbraw/zinc/56/26/91/1322562691.db2.gz HSDSPOMEFCOFFY-NRFANRHFSA-N 0 3 337.467 3.284 20 10 EGCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O ZINC000852019227 1323133559 /nfs/dbraw/zinc/13/35/59/1323133559.db2.gz VVAFFMJNOLPOSM-CGTJXYLNSA-N 0 3 330.472 3.442 20 10 EGCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O ZINC000852019227 1323133564 /nfs/dbraw/zinc/13/35/64/1323133564.db2.gz VVAFFMJNOLPOSM-CGTJXYLNSA-N 0 3 330.472 3.442 20 10 EGCDHN CCOc1ccc(C[NH2+]Cc2cnccc2C(F)(F)F)c([O-])c1 ZINC000853095330 1323280455 /nfs/dbraw/zinc/28/04/55/1323280455.db2.gz LHMSIXKPTDBIEG-UHFFFAOYSA-N 0 3 326.318 3.495 20 10 EGCDHN CCOc1ccc(CNCc2cnccc2C(F)(F)F)c(O)c1 ZINC000853095330 1323280463 /nfs/dbraw/zinc/28/04/63/1323280463.db2.gz LHMSIXKPTDBIEG-UHFFFAOYSA-N 0 3 326.318 3.495 20 10 EGCDHN C[C@H]([NH2+]CC1(N)CCCC1)c1cc(Br)c(F)cc1[O-] ZINC000854222812 1325230521 /nfs/dbraw/zinc/23/05/21/1325230521.db2.gz KYSBXZLLMZYHSL-VIFPVBQESA-N 0 3 331.229 3.216 20 10 EGCDHN CCOC(=O)[C@H]1C[N@H+](Cc2ccc(OC)cc2[O-])C[C@H]2CCCC[C@@H]12 ZINC001203621920 1370190430 /nfs/dbraw/zinc/19/04/30/1370190430.db2.gz KGRGPLGARLTKAX-OLMNPRSZSA-N 0 3 347.455 3.202 20 10 EGCDHN CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(OC)cc2[O-])C[C@H]2CCCC[C@@H]12 ZINC001203621920 1370190433 /nfs/dbraw/zinc/19/04/33/1370190433.db2.gz KGRGPLGARLTKAX-OLMNPRSZSA-N 0 3 347.455 3.202 20 10 EGCDHN COc1ccc(C[NH+]2CCC(CC(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC001203628883 1370193294 /nfs/dbraw/zinc/19/32/94/1370193294.db2.gz JCWGWAJYMXMILJ-UHFFFAOYSA-N 0 3 335.444 3.345 20 10 EGCDHN COc1ccc(O)c(CN2CCN(Cc3ccccc3)C[C@@H]2C)c1 ZINC001203678320 1370213884 /nfs/dbraw/zinc/21/38/84/1370213884.db2.gz KONULXFPHMOMSY-INIZCTEOSA-N 0 3 326.440 3.107 20 10 EGCDHN COc1ccc(O)c(CN2CCN([C@H](C)c3ccccc3)CC2)c1 ZINC001203678302 1370213929 /nfs/dbraw/zinc/21/39/29/1370213929.db2.gz KFAINPGWSSSXBC-MRXNPFEDSA-N 0 3 326.440 3.280 20 10 EGCDHN CN(C)c1ccc(CN2CCC3(CC2)c2ccccc2NC3=O)cc1 ZINC001203930754 1370318862 /nfs/dbraw/zinc/31/88/62/1370318862.db2.gz HPOGMHFFHIHXFT-UHFFFAOYSA-N 0 3 335.451 3.239 20 10 EGCDHN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN(Cc2ccc(N(C)C)cc2)C1 ZINC001203937685 1370322710 /nfs/dbraw/zinc/32/27/10/1370322710.db2.gz LOPCJRBKUBSTMD-WBVHZDCISA-N 0 3 347.503 3.488 20 10 EGCDHN CCN(CC)c1ccc(CN2CC[C@@H](Oc3nccc(C)n3)C2)cc1 ZINC001203946054 1370325364 /nfs/dbraw/zinc/32/53/64/1370325364.db2.gz SKUIBVJBBVMFSR-LJQANCHMSA-N 0 3 340.471 3.285 20 10 EGCDHN CCN(CC)c1ccc(CN2CC[C@@H](Oc3ncncc3C)C2)cc1 ZINC001203946566 1370325573 /nfs/dbraw/zinc/32/55/73/1370325573.db2.gz VUDIGMRLGFLOMG-LJQANCHMSA-N 0 3 340.471 3.285 20 10 EGCDHN CN(C)c1ccc(CN2CCOC3(CCOCC3)C2)c2ccccc21 ZINC001204240172 1370418632 /nfs/dbraw/zinc/41/86/32/1370418632.db2.gz KDLJLMQHPAPBGP-UHFFFAOYSA-N 0 3 340.467 3.287 20 10 EGCDHN CC(C)(C)OC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(O)cc1[O-] ZINC001204278901 1370429706 /nfs/dbraw/zinc/42/97/06/1370429706.db2.gz MMNOUKDMPSLXBN-GOOCMWNKSA-N 0 3 348.443 3.118 20 10 EGCDHN CC(C)(C)OC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(O)cc1[O-] ZINC001204278901 1370429711 /nfs/dbraw/zinc/42/97/11/1370429711.db2.gz MMNOUKDMPSLXBN-GOOCMWNKSA-N 0 3 348.443 3.118 20 10 EGCDHN Oc1ccc(CN2CCN([C@H]3CCCc4ccccc43)CC2)c(O)c1 ZINC001204281879 1370431205 /nfs/dbraw/zinc/43/12/05/1370431205.db2.gz YPEKGFGLOQVFMG-FQEVSTJZSA-N 0 3 338.451 3.293 20 10 EGCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H]1CNc1cccc(C)n1 ZINC001116445522 1370912916 /nfs/dbraw/zinc/91/29/16/1370912916.db2.gz SYCQIMSGUJGWNK-OAHLLOKOSA-N 0 3 327.428 3.181 20 10 EGCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H]1CNc1cccc(C)n1 ZINC001116445522 1370912920 /nfs/dbraw/zinc/91/29/20/1370912920.db2.gz SYCQIMSGUJGWNK-OAHLLOKOSA-N 0 3 327.428 3.181 20 10 EGCDHN COC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC001116752219 1370966572 /nfs/dbraw/zinc/96/65/72/1370966572.db2.gz DONZMOWNPPLPJS-ROUUACIJSA-N 0 3 325.408 3.491 20 10 EGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@](N)(C(F)(F)F)C3)c2c1 ZINC001206243673 1371001916 /nfs/dbraw/zinc/00/19/16/1371001916.db2.gz FGNFGGXLSIRWOT-INIZCTEOSA-N 0 3 340.345 3.020 20 10 EGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@](N)(C(F)(F)F)C3)c2c1 ZINC001206243673 1371001919 /nfs/dbraw/zinc/00/19/19/1371001919.db2.gz FGNFGGXLSIRWOT-INIZCTEOSA-N 0 3 340.345 3.020 20 10 EGCDHN COc1ccc(N2CCN(CCCc3ccncc3)CC2)c(C)c1 ZINC001209189633 1372032711 /nfs/dbraw/zinc/03/27/11/1372032711.db2.gz OEHFGWQYWMSKBP-UHFFFAOYSA-N 0 3 325.456 3.153 20 10 EGCDHN COCCCOc1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1OC ZINC001231543816 1376259881 /nfs/dbraw/zinc/25/98/81/1376259881.db2.gz BALDABYBAORKSH-UHFFFAOYSA-N 0 3 345.439 3.448 20 10 EGCDHN COCCCOc1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1OC ZINC001231543816 1376259889 /nfs/dbraw/zinc/25/98/89/1376259889.db2.gz BALDABYBAORKSH-UHFFFAOYSA-N 0 3 345.439 3.448 20 10 EGCDHN FC[C@H]1CCCN(Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232202643 1376417002 /nfs/dbraw/zinc/41/70/02/1376417002.db2.gz CQCQGQQAMGFHTM-OAHLLOKOSA-N 0 3 326.843 3.358 20 10 EGCDHN CN(C)c1ccc(CN2CCN(c3ccc(F)c(F)c3)CC2)c(O)c1 ZINC001232835114 1376522012 /nfs/dbraw/zinc/52/20/12/1376522012.db2.gz WJFRRGPWIYRJEL-UHFFFAOYSA-N 0 3 347.409 3.059 20 10 EGCDHN Cc1ccccc1O[C@H]1CCCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233485068 1376653499 /nfs/dbraw/zinc/65/34/99/1376653499.db2.gz HTGVDFBTGOOUOP-HNNXBMFYSA-N 0 3 329.396 3.155 20 10 EGCDHN C[C@@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC[C@]1(C)O ZINC001233726405 1376703186 /nfs/dbraw/zinc/70/31/86/1376703186.db2.gz CXYLUCNKUQDFPT-ABAIWWIYSA-N 0 3 333.350 3.274 20 10 EGCDHN C[C@@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC[C@]1(C)O ZINC001233726405 1376703189 /nfs/dbraw/zinc/70/31/89/1376703189.db2.gz CXYLUCNKUQDFPT-ABAIWWIYSA-N 0 3 333.350 3.274 20 10 EGCDHN CCOC(=O)C1CCN(Cc2cccc(OC(F)(F)F)c2O)CC1 ZINC001233737087 1376706268 /nfs/dbraw/zinc/70/62/68/1376706268.db2.gz VSPJCNCCKUCTTP-UHFFFAOYSA-N 0 3 347.333 3.066 20 10 EGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001237053468 1376971575 /nfs/dbraw/zinc/97/15/75/1376971575.db2.gz MKHLXTGDUPKVMB-MLGOLLRUSA-N 0 3 345.361 3.334 20 10 EGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001237053468 1376971577 /nfs/dbraw/zinc/97/15/77/1376971577.db2.gz MKHLXTGDUPKVMB-MLGOLLRUSA-N 0 3 345.361 3.334 20 10 EGCDHN COC(=O)[C@H]1C[C@H](C)C[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])C1 ZINC001237141389 1376976275 /nfs/dbraw/zinc/97/62/75/1376976275.db2.gz WIVKHKILBLIYAA-JQWIXIFHSA-N 0 3 331.334 3.042 20 10 EGCDHN COC(=O)[C@H]1C[C@H](C)C[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])C1 ZINC001237141389 1376976276 /nfs/dbraw/zinc/97/62/76/1376976276.db2.gz WIVKHKILBLIYAA-JQWIXIFHSA-N 0 3 331.334 3.042 20 10 EGCDHN COC(=O)[C@H]1C[C@H](C)CN(Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237141389 1376976280 /nfs/dbraw/zinc/97/62/80/1376976280.db2.gz WIVKHKILBLIYAA-JQWIXIFHSA-N 0 3 331.334 3.042 20 10 EGCDHN Cc1cc(CN2CCC3(C[C@@H](O)CO3)CC2)c(C)n1-c1ccccc1 ZINC001137855904 1377631437 /nfs/dbraw/zinc/63/14/37/1377631437.db2.gz JLHOUAODVJXVAO-HXUWFJFHSA-N 0 3 340.467 3.210 20 10 EGCDHN c1cnc(O[C@@H]2CCN(Cc3ccc(N4CCCCC4)cc3)C2)cn1 ZINC001138222442 1377691097 /nfs/dbraw/zinc/69/10/97/1377691097.db2.gz XUOUGWSMWTUYSE-LJQANCHMSA-N 0 3 338.455 3.120 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC[C@@H](C(=O)OC)[C@H]2C)c(OC)c1 ZINC001138390249 1377714362 /nfs/dbraw/zinc/71/43/62/1377714362.db2.gz QSBYVIBETGASDN-CRAIPNDOSA-N 0 3 348.487 3.315 20 10 EGCDHN O=C1C[C@]2(CC[N@@H+](Cc3cc(F)ccc3[O-])C2)CN1c1ccsc1 ZINC001140053709 1377996484 /nfs/dbraw/zinc/99/64/84/1377996484.db2.gz AKDXTSMGMLOXMN-SFHVURJKSA-N 0 3 346.427 3.222 20 10 EGCDHN O=C1C[C@]2(CC[N@H+](Cc3cc(F)ccc3[O-])C2)CN1c1ccsc1 ZINC001140053709 1377996485 /nfs/dbraw/zinc/99/64/85/1377996485.db2.gz AKDXTSMGMLOXMN-SFHVURJKSA-N 0 3 346.427 3.222 20 10 EGCDHN O=C1Nc2ccccc2CN1[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140059917 1377998423 /nfs/dbraw/zinc/99/84/23/1377998423.db2.gz APXZTRSNFGPRDE-INIZCTEOSA-N 0 3 341.386 3.153 20 10 EGCDHN O=C1Nc2ccccc2CN1[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140059917 1377998424 /nfs/dbraw/zinc/99/84/24/1377998424.db2.gz APXZTRSNFGPRDE-INIZCTEOSA-N 0 3 341.386 3.153 20 10 EGCDHN O=C1Nc2ccccc2CN1[C@H]1CCN(Cc2cc(F)ccc2O)C1 ZINC001140059917 1377998425 /nfs/dbraw/zinc/99/84/25/1377998425.db2.gz APXZTRSNFGPRDE-INIZCTEOSA-N 0 3 341.386 3.153 20 10 EGCDHN CC[N@H+](C)C1CCN(Cc2c([O-])cccc2Br)CC1 ZINC001140101839 1378007423 /nfs/dbraw/zinc/00/74/23/1378007423.db2.gz BJHNVKZTAVQQGO-UHFFFAOYSA-N 0 3 327.266 3.071 20 10 EGCDHN CC[N@@H+](C)C1CCN(Cc2c([O-])cccc2Br)CC1 ZINC001140101839 1378007424 /nfs/dbraw/zinc/00/74/24/1378007424.db2.gz BJHNVKZTAVQQGO-UHFFFAOYSA-N 0 3 327.266 3.071 20 10 EGCDHN Cc1ccc(C)c(CN2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)c1O ZINC001140180327 1378027117 /nfs/dbraw/zinc/02/71/17/1378027117.db2.gz FEAZKUNZAXFRGX-NLWGTHIKSA-N 0 3 331.456 3.167 20 10 EGCDHN Cc1c(O)ccc(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC(C)(C)C)c1O ZINC001140748538 1378129126 /nfs/dbraw/zinc/12/91/26/1378129126.db2.gz HYPMNAUJYGWYPK-QRTARXTBSA-N 0 3 347.455 3.348 20 10 EGCDHN COc1ccc(N2CCN(Cc3ccc(O)c(C)c3O)CC2)c(C)c1 ZINC001140750222 1378129501 /nfs/dbraw/zinc/12/95/01/1378129501.db2.gz XWCOUVDRXVJSKX-UHFFFAOYSA-N 0 3 342.439 3.045 20 10 EGCDHN CN(C)c1ccc(CN2CCc3ccc(=O)[nH]c3CC2)c(Cl)c1 ZINC001140924100 1378181785 /nfs/dbraw/zinc/18/17/85/1378181785.db2.gz DGJNADUBQAMNBG-UHFFFAOYSA-N 0 3 331.847 3.107 20 10 EGCDHN COC(=O)[C@H]1CC[N@H+](Cc2ccc(C)cc2[O-])[C@H]1c1ccccc1 ZINC001140953776 1378191535 /nfs/dbraw/zinc/19/15/35/1378191535.db2.gz DLRFSIKOLIPAAK-HKUYNNGSSA-N 0 3 325.408 3.437 20 10 EGCDHN COC(=O)[C@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])[C@H]1c1ccccc1 ZINC001140953776 1378191540 /nfs/dbraw/zinc/19/15/40/1378191540.db2.gz DLRFSIKOLIPAAK-HKUYNNGSSA-N 0 3 325.408 3.437 20 10 EGCDHN COc1cc(O)c(CN(C)Cc2ccc(N(C)C)cc2)c(OC)c1 ZINC001141030721 1378213164 /nfs/dbraw/zinc/21/31/64/1378213164.db2.gz ILFJTYOMYDBIOP-UHFFFAOYSA-N 0 3 330.428 3.107 20 10 EGCDHN COc1cc([O-])c(C[N@H+](C)Cc2ccc(N(C)C)cc2)c(OC)c1 ZINC001141030721 1378213169 /nfs/dbraw/zinc/21/31/69/1378213169.db2.gz ILFJTYOMYDBIOP-UHFFFAOYSA-N 0 3 330.428 3.107 20 10 EGCDHN COc1cc([O-])c(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c(OC)c1 ZINC001141030721 1378213181 /nfs/dbraw/zinc/21/31/81/1378213181.db2.gz ILFJTYOMYDBIOP-UHFFFAOYSA-N 0 3 330.428 3.107 20 10 EGCDHN CN1CCOc2cc(CN3CCN(C)[C@H](c4ccccc4)C3)ccc21 ZINC001141143417 1378248595 /nfs/dbraw/zinc/24/85/95/1378248595.db2.gz YJHBPHOLQQKEBL-FQEVSTJZSA-N 0 3 337.467 3.004 20 10 EGCDHN COc1ccc([C@H]2CCCN2Cc2cc(O)ccc2O)cc1OC ZINC001141158768 1378253628 /nfs/dbraw/zinc/25/36/28/1378253628.db2.gz MTLRNWWTAWCRIW-MRXNPFEDSA-N 0 3 329.396 3.452 20 10 EGCDHN COc1ccc(C[C@@H](C)[N@H+](C)Cc2ccccc2[O-])c([N+](=O)[O-])c1 ZINC001170352465 1384298636 /nfs/dbraw/zinc/29/86/36/1384298636.db2.gz NWYHAPGFNZVGRE-CYBMUJFWSA-N 0 3 330.384 3.372 20 10 EGCDHN COc1ccc(C[C@@H](C)[N@@H+](C)Cc2ccccc2[O-])c([N+](=O)[O-])c1 ZINC001170352465 1384298639 /nfs/dbraw/zinc/29/86/39/1384298639.db2.gz NWYHAPGFNZVGRE-CYBMUJFWSA-N 0 3 330.384 3.372 20 10 EGCDHN CN(C)c1cc(F)c(CNC[C@@H](O)CCc2ccccc2)cc1F ZINC001329157365 1388994728 /nfs/dbraw/zinc/99/47/28/1388994728.db2.gz WLPWJIHZJXMXQU-INIZCTEOSA-N 0 3 334.410 3.114 20 10 EGCDHN CN(C)CCn1cc(Nc2ccccc2C(=O)c2ccccc2)cn1 ZINC001176446432 1385590031 /nfs/dbraw/zinc/59/00/31/1385590031.db2.gz ZCEISDCPFCXVLC-UHFFFAOYSA-N 0 3 334.423 3.419 20 10 EGCDHN Cc1occc1CN(C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001320493615 1386625900 /nfs/dbraw/zinc/62/59/00/1386625900.db2.gz BRPKHLQRVOYKAF-UHFFFAOYSA-N 0 3 331.435 3.111 20 10 EGCDHN CC[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(C(=O)[O-])cc1 ZINC001595289346 980378604 /nfs/dbraw/zinc/37/86/04/980378604.db2.gz JMLRJZLPNIFVQH-RBUKOAKNSA-N 0 3 341.455 3.192 20 10 EGCDHN C[C@@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001594227275 998871651 /nfs/dbraw/zinc/87/16/51/998871651.db2.gz ZUWONUCVWMWUIZ-BZUAXINKSA-N 0 3 348.487 3.499 20 10 EGCDHN [O-]c1ccc(Br)cc1C[NH+]1CCC(n2ccnc2)CC1 ZINC000092648312 454599934 /nfs/dbraw/zinc/59/99/34/454599934.db2.gz MWJYLGZCQZLHSI-UHFFFAOYSA-N 0 3 336.233 3.188 20 10 EGCDHN C[C@H]([NH2+][C@H]1CCN2CCCC[C@H]12)c1ccc(Br)cc1[O-] ZINC000273363630 456225232 /nfs/dbraw/zinc/22/52/32/456225232.db2.gz DJSPMWOJGXABDG-TUKIKUTGSA-N 0 3 339.277 3.432 20 10 EGCDHN Cc1ccc([C@H](C[NH2+][C@H](C)c2ccccc2[O-])N2CCOCC2)o1 ZINC000183392819 455287379 /nfs/dbraw/zinc/28/73/79/455287379.db2.gz PCWIDSWHZCERSC-WBVHZDCISA-N 0 3 330.428 3.018 20 10 EGCDHN Cc1cc(CN2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)no1 ZINC000052583409 453838214 /nfs/dbraw/zinc/83/82/14/453838214.db2.gz PVLCKJCFFRYIRL-UHFFFAOYSA-N 0 3 337.423 3.160 20 10 EGCDHN C[NH+](C)CCC1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000092381053 454558178 /nfs/dbraw/zinc/55/81/78/454558178.db2.gz GESOKKQJTHLRIN-UHFFFAOYSA-N 0 3 341.839 3.118 20 10 EGCDHN [O-]c1ccccc1C[NH2+]C[C@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000105485892 454641362 /nfs/dbraw/zinc/64/13/62/454641362.db2.gz PEYLTWKUCOJSTC-GOSISDBHSA-N 0 3 346.858 3.209 20 10 EGCDHN CN(C)c1ccc(CN2CCC(OC[C@H]3CCCCO3)CC2)cc1 ZINC000093841940 454738972 /nfs/dbraw/zinc/73/89/72/454738972.db2.gz JIKFYDJSEPASGV-HXUWFJFHSA-N 0 3 332.488 3.303 20 10 EGCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000109769134 454835728 /nfs/dbraw/zinc/83/57/28/454835728.db2.gz ACPPZOURABCEMN-OAHLLOKOSA-N 0 3 334.460 3.471 20 10 EGCDHN C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000109769134 454835733 /nfs/dbraw/zinc/83/57/33/454835733.db2.gz ACPPZOURABCEMN-OAHLLOKOSA-N 0 3 334.460 3.471 20 10 EGCDHN Cc1ccc(C[NH2+]Cc2cc(F)ccc2[O-])c(-n2cc(Cl)cn2)n1 ZINC000191502328 455492290 /nfs/dbraw/zinc/49/22/90/455492290.db2.gz RNCOMCRDYDIMSG-UHFFFAOYSA-N 0 3 346.793 3.364 20 10 EGCDHN CCOc1cccc(C[NH2+]C[C@](C)(O)c2ccc(F)cc2F)c1[O-] ZINC000114509028 454959073 /nfs/dbraw/zinc/95/90/73/454959073.db2.gz JOYKBZMTXAYAPN-SFHVURJKSA-N 0 3 337.366 3.066 20 10 EGCDHN COc1cc(CN(C)Cc2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000155192807 454973275 /nfs/dbraw/zinc/97/32/75/454973275.db2.gz DUNUXKSYYCCTRM-UHFFFAOYSA-N 0 3 344.455 3.410 20 10 EGCDHN O=C(Nc1ccc(F)cc1)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000179567988 455058830 /nfs/dbraw/zinc/05/88/30/455058830.db2.gz XRJPQVNXWUAUMU-UHFFFAOYSA-N 0 3 328.387 3.382 20 10 EGCDHN Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3cc(F)ccc3[O-])C2)nc1 ZINC000179938212 455102416 /nfs/dbraw/zinc/10/24/16/455102416.db2.gz JRFIYJIOQHZUAT-AWEZNQCLSA-N 0 3 343.402 3.085 20 10 EGCDHN Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)nc1 ZINC000179938212 455102417 /nfs/dbraw/zinc/10/24/17/455102417.db2.gz JRFIYJIOQHZUAT-AWEZNQCLSA-N 0 3 343.402 3.085 20 10 EGCDHN Cc1cccc([C@H](C[NH2+][C@H](C)c2ccccc2[O-])N2CCOCC2)c1 ZINC000183415573 455290229 /nfs/dbraw/zinc/29/02/29/455290229.db2.gz YBAVKOZXEXPCDB-XLIONFOSSA-N 0 3 340.467 3.425 20 10 EGCDHN COc1cc(O)c(CN2CCC[C@@H](Nc3ccccc3)C2)cc1OC ZINC000180488961 455181335 /nfs/dbraw/zinc/18/13/35/455181335.db2.gz HKISUUUHLTZKIF-QGZVFWFLSA-N 0 3 342.439 3.486 20 10 EGCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)cc1OC ZINC000180488961 455181336 /nfs/dbraw/zinc/18/13/36/455181336.db2.gz HKISUUUHLTZKIF-QGZVFWFLSA-N 0 3 342.439 3.486 20 10 EGCDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)cc1OC ZINC000180488961 455181338 /nfs/dbraw/zinc/18/13/38/455181338.db2.gz HKISUUUHLTZKIF-QGZVFWFLSA-N 0 3 342.439 3.486 20 10 EGCDHN C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2F)CC1)c1ccccc1[O-] ZINC000183417600 455290666 /nfs/dbraw/zinc/29/06/66/455290666.db2.gz ZMSHAYQXCGZSPE-AWEZNQCLSA-N 0 3 342.414 3.487 20 10 EGCDHN C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccccc1[O-] ZINC000183474472 455297793 /nfs/dbraw/zinc/29/77/93/455297793.db2.gz UXZLRWHMTGLYFS-LPHOPBHVSA-N 0 3 338.451 3.277 20 10 EGCDHN COc1ccc(CN(C)Cc2cc(OC)c(OC)cc2O)cc1C ZINC000160129651 455430789 /nfs/dbraw/zinc/43/07/89/455430789.db2.gz AVWUDZMHHCVJOP-UHFFFAOYSA-N 0 3 331.412 3.358 20 10 EGCDHN CCO[C@H]1C[C@H]([N@H+](C)Cc2cc(OC)c(OC)cc2[O-])C12CCC2 ZINC000160429003 455457987 /nfs/dbraw/zinc/45/79/87/455457987.db2.gz OYJWXXVVQWUQEB-ROUUACIJSA-N 0 3 335.444 3.189 20 10 EGCDHN CCO[C@H]1C[C@H]([N@@H+](C)Cc2cc(OC)c(OC)cc2[O-])C12CCC2 ZINC000160429003 455457990 /nfs/dbraw/zinc/45/79/90/455457990.db2.gz OYJWXXVVQWUQEB-ROUUACIJSA-N 0 3 335.444 3.189 20 10 EGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]Cc2cccc(CN3CCOCC3)c2)c1 ZINC000185063192 455494453 /nfs/dbraw/zinc/49/44/53/455494453.db2.gz GELJSUUDYOYNOH-KRWDZBQOSA-N 0 3 340.467 3.384 20 10 EGCDHN C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1cc(F)ccc1[O-] ZINC000185072382 455495841 /nfs/dbraw/zinc/49/58/41/455495841.db2.gz KBHMWSMMPRHZBJ-ZDUSSCGKSA-N 0 3 348.393 3.358 20 10 EGCDHN C[C@H](NCc1ccccc1CS(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000160934808 455515933 /nfs/dbraw/zinc/51/59/33/455515933.db2.gz XYCRDGGQRRMVIO-HNNXBMFYSA-N 0 3 346.496 3.148 20 10 EGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCCc2nnc3n2CCCCC3)c1 ZINC000185321544 455539186 /nfs/dbraw/zinc/53/91/86/455539186.db2.gz ZYGPFBBRETVRJM-OAHLLOKOSA-N 0 3 328.460 3.302 20 10 EGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCCc2nnc3n2CCCCC3)c1 ZINC000185321562 455539435 /nfs/dbraw/zinc/53/94/35/455539435.db2.gz ZYGPFBBRETVRJM-HNNXBMFYSA-N 0 3 328.460 3.302 20 10 EGCDHN CCc1cc(N2CCC([NH2+][C@H](C)c3ccc(C)cc3[O-])CC2)ncn1 ZINC000185643045 455588530 /nfs/dbraw/zinc/58/85/30/455588530.db2.gz JWZBVOMAIJFDST-OAHLLOKOSA-N 0 3 340.471 3.373 20 10 EGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]Cc2ccccc2CS(C)(=O)=O)c1 ZINC000185649771 455589818 /nfs/dbraw/zinc/58/98/18/455589818.db2.gz JZMGYEHZTBFONG-AWEZNQCLSA-N 0 3 333.453 3.096 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c1 ZINC000185660623 455591225 /nfs/dbraw/zinc/59/12/25/455591225.db2.gz JYADTGQQPDIERM-GFCCVEGCSA-N 0 3 338.448 3.355 20 10 EGCDHN C[C@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cn[nH]c1 ZINC000283943267 455614209 /nfs/dbraw/zinc/61/42/09/455614209.db2.gz FLVWOESSHOHXBI-GXTWGEPZSA-N 0 3 336.386 3.331 20 10 EGCDHN COc1cc(OC)cc([C@H](O)C[NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])c1 ZINC000284162616 455644963 /nfs/dbraw/zinc/64/49/63/455644963.db2.gz PXBJEAAVLQVGFM-IFXJQAMLSA-N 0 3 345.439 3.410 20 10 EGCDHN C[C@@H](N[C@@H]1CCN(Cc2ccccc2)C1=O)c1ccc(N(C)C)cc1 ZINC000271541851 455678838 /nfs/dbraw/zinc/67/88/38/455678838.db2.gz YPMLCHXUTNWRBB-OXQOHEQNSA-N 0 3 337.467 3.204 20 10 EGCDHN CO[C@H](C)[C@@H](C)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000268779997 455712736 /nfs/dbraw/zinc/71/27/36/455712736.db2.gz PHLCIACQUBSKJO-CHWSQXEVSA-N 0 3 346.393 3.055 20 10 EGCDHN C[C@@H](NCc1cccc(C(=O)NC2CC2)c1)c1ccc(N(C)C)cc1 ZINC000268795875 455714282 /nfs/dbraw/zinc/71/42/82/455714282.db2.gz DJWVGPPDABFIDL-OAHLLOKOSA-N 0 3 337.467 3.496 20 10 EGCDHN COc1ccc([O-])c(C[NH2+]CCc2cc(C(F)(F)F)ccn2)c1 ZINC000293532550 455789741 /nfs/dbraw/zinc/78/97/41/455789741.db2.gz BYCFTQITAKSKGI-UHFFFAOYSA-N 0 3 326.318 3.147 20 10 EGCDHN COc1cccc(C(=O)NCC[NH2+][C@H](C)c2c(C)cc(C)cc2[O-])c1 ZINC000293782812 455797508 /nfs/dbraw/zinc/79/75/08/455797508.db2.gz QFXILZCRCIVKTQ-OAHLLOKOSA-N 0 3 342.439 3.098 20 10 EGCDHN CC(C)(C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-])C(N)=O ZINC000294662342 455822665 /nfs/dbraw/zinc/82/26/65/455822665.db2.gz HIYRKYLXSSPJFI-QGZVFWFLSA-N 0 3 326.440 3.167 20 10 EGCDHN COC1CCN(c2ccc(CN[C@H](CO)c3ccccc3)cc2)CC1 ZINC000294916866 455832269 /nfs/dbraw/zinc/83/22/69/455832269.db2.gz GFTISTNEOUEUCU-OAQYLSRUSA-N 0 3 340.467 3.125 20 10 EGCDHN Cc1cc(C)c([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)c([O-])c1 ZINC000285374728 455832572 /nfs/dbraw/zinc/83/25/72/455832572.db2.gz WCTGFGXWRXNQHZ-QXAKKESOSA-N 0 3 346.515 3.428 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](O)c2ccc(F)cc2)c1[O-] ZINC000278664379 455844431 /nfs/dbraw/zinc/84/44/31/455844431.db2.gz KVHDJWRMYWXVHU-CQSZACIVSA-N 0 3 325.767 3.017 20 10 EGCDHN C[C@@H]1OCC[C@@]12C[N@H+](Cc1cc(-c3ccccc3)ccc1[O-])CCO2 ZINC000279704472 455871583 /nfs/dbraw/zinc/87/15/83/455871583.db2.gz RPZNCTYCFWLTQS-HRAATJIYSA-N 0 3 339.435 3.439 20 10 EGCDHN C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cc(-c3ccccc3)ccc1[O-])CCO2 ZINC000279704472 455871587 /nfs/dbraw/zinc/87/15/87/455871587.db2.gz RPZNCTYCFWLTQS-HRAATJIYSA-N 0 3 339.435 3.439 20 10 EGCDHN CCOc1cccc(CNCc2ccc(OCCCOC)cc2)c1O ZINC000285711464 455901256 /nfs/dbraw/zinc/90/12/56/455901256.db2.gz WLXKCHFTUKRZSA-UHFFFAOYSA-N 0 3 345.439 3.496 20 10 EGCDHN CCOc1cccc(C[NH2+]Cc2ccc(OCCCOC)cc2)c1[O-] ZINC000285711464 455901259 /nfs/dbraw/zinc/90/12/59/455901259.db2.gz WLXKCHFTUKRZSA-UHFFFAOYSA-N 0 3 345.439 3.496 20 10 EGCDHN C[C@H](C[S@@](C)=O)N(C)Cc1ccc(OCc2ccccc2)cc1O ZINC000187839017 455960605 /nfs/dbraw/zinc/96/06/05/455960605.db2.gz SKUQPHLTXFXWMD-OYLFLEFRSA-N 0 3 347.480 3.170 20 10 EGCDHN COc1ccc([O-])c(C[NH2+]CCCOCCOCc2ccccc2)c1 ZINC000272510265 455977105 /nfs/dbraw/zinc/97/71/05/455977105.db2.gz ITRYZAIEHMIQSW-UHFFFAOYSA-N 0 3 345.439 3.114 20 10 EGCDHN CCN(CC)c1ccc(CN2C[C@@H](C)OC3(CCOCC3)C2)cc1 ZINC000280487492 455980897 /nfs/dbraw/zinc/98/08/97/455980897.db2.gz ONGLPXBDCVTQKL-QGZVFWFLSA-N 0 3 332.488 3.303 20 10 EGCDHN O=C1C[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CN1c1c(F)cccc1F ZINC000296739580 456025724 /nfs/dbraw/zinc/02/57/24/456025724.db2.gz JGMATMRQLWGSNI-SWLSCSKDSA-N 0 3 344.361 3.053 20 10 EGCDHN O[C@@H]1c2ccccc2OC[C@H]1NCc1ccc(N2CCCCC2)cc1 ZINC000288699231 456103348 /nfs/dbraw/zinc/10/33/48/456103348.db2.gz YJYTXJLELAGRGR-TZIWHRDSSA-N 0 3 338.451 3.261 20 10 EGCDHN O[C@H]1c2ccccc2OC[C@@H]1NCc1ccc(N2CCCCC2)cc1 ZINC000288699226 456103370 /nfs/dbraw/zinc/10/33/70/456103370.db2.gz YJYTXJLELAGRGR-FPOVZHCZSA-N 0 3 338.451 3.261 20 10 EGCDHN COc1cccc(CNCc2c(C3CC3)nc3sccn23)c1O ZINC000289429105 456124712 /nfs/dbraw/zinc/12/47/12/456124712.db2.gz KIWNAKYEGLIRAG-UHFFFAOYSA-N 0 3 329.425 3.277 20 10 EGCDHN CCCOc1ccc(C[N@@H+]2CCCC[C@H]2CCC(=O)NC)c([O-])c1 ZINC000289762156 456140686 /nfs/dbraw/zinc/14/06/86/456140686.db2.gz RAYJBRVWKTXJGT-INIZCTEOSA-N 0 3 334.460 3.062 20 10 EGCDHN CCCOc1ccc(C[N@H+]2CCCC[C@H]2CCC(=O)NC)c([O-])c1 ZINC000289762156 456140696 /nfs/dbraw/zinc/14/06/96/456140696.db2.gz RAYJBRVWKTXJGT-INIZCTEOSA-N 0 3 334.460 3.062 20 10 EGCDHN CCCN(Cc1ccccc1O)C(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000236732601 456176151 /nfs/dbraw/zinc/17/61/51/456176151.db2.gz ZJLTXCRDTDHIPL-HNAYVOBHSA-N 0 3 326.440 3.467 20 10 EGCDHN CCOc1ccc([O-])c(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)c1 ZINC000289967784 456198873 /nfs/dbraw/zinc/19/88/73/456198873.db2.gz VXFJPAHZTIDYCU-UYAOXDASSA-N 0 3 327.424 3.047 20 10 EGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000273304107 456222201 /nfs/dbraw/zinc/22/22/01/456222201.db2.gz CIZQEBZTOXUCCK-INIZCTEOSA-N 0 3 326.440 3.388 20 10 EGCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000273435200 456230267 /nfs/dbraw/zinc/23/02/67/456230267.db2.gz WUAIPJICESAHID-WBVHZDCISA-N 0 3 326.440 3.326 20 10 EGCDHN COc1cccc(CNCc2ccncc2OCC(F)(F)F)c1O ZINC000282290741 456468260 /nfs/dbraw/zinc/46/82/60/456468260.db2.gz RBLHKZVCPCDTQS-UHFFFAOYSA-N 0 3 342.317 3.027 20 10 EGCDHN COc1cccc(C[NH2+]C[C@@]2(C)CCN(Cc3ccccc3)C2)c1[O-] ZINC000311188448 456588164 /nfs/dbraw/zinc/58/81/64/456588164.db2.gz DFUGKKUXKVEERU-OAQYLSRUSA-N 0 3 340.467 3.403 20 10 EGCDHN Oc1ccc2c(c1)[C@@H](NCc1ccc(N3CCOCC3)cc1)CCC2 ZINC000291353091 456615176 /nfs/dbraw/zinc/61/51/76/456615176.db2.gz XMPMZBZBIMXTRU-NRFANRHFSA-N 0 3 338.451 3.396 20 10 EGCDHN Cc1c2ccccc2n(C)c1CN[C@@H](C)c1ccc(-n2cnnn2)cc1 ZINC000358982990 457044990 /nfs/dbraw/zinc/04/49/90/457044990.db2.gz HWJFCUHOTWKFJU-HNNXBMFYSA-N 0 3 346.438 3.313 20 10 EGCDHN Cc1c2ccccc2n(C)c1CNC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000352126242 457340267 /nfs/dbraw/zinc/34/02/67/457340267.db2.gz QZBYDJULPOASIV-LZWOXQAQSA-N 0 3 327.472 3.364 20 10 EGCDHN C[C@H]([NH2+][C@@H]1CCO[C@]2(CCOC2)C1)c1cc2c(cc1[O-])CCCC2 ZINC000369901170 457451437 /nfs/dbraw/zinc/45/14/37/457451437.db2.gz FJZKMQPUUVLWLK-JNAXZKDPSA-N 0 3 331.456 3.260 20 10 EGCDHN COc1cccc(C[NH+]2CCC3(CC2)OCc2ccccc23)c1[O-] ZINC000371327204 457868623 /nfs/dbraw/zinc/86/86/23/457868623.db2.gz MJNUIYPAIYISKE-UHFFFAOYSA-N 0 3 325.408 3.422 20 10 EGCDHN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000371466549 457945754 /nfs/dbraw/zinc/94/57/54/457945754.db2.gz PXECERUOFMQMPH-LBPRGKRZSA-N 0 3 332.835 3.421 20 10 EGCDHN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000371466549 457945760 /nfs/dbraw/zinc/94/57/60/457945760.db2.gz PXECERUOFMQMPH-LBPRGKRZSA-N 0 3 332.835 3.421 20 10 EGCDHN C[C@H](NCc1n[nH]c2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000727468931 574669932 /nfs/dbraw/zinc/66/99/32/574669932.db2.gz PNJZGKYORGCCMO-HNNXBMFYSA-N 0 3 336.439 3.250 20 10 EGCDHN C[C@H](NCc1[nH]nc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000727468931 574669933 /nfs/dbraw/zinc/66/99/33/574669933.db2.gz PNJZGKYORGCCMO-HNNXBMFYSA-N 0 3 336.439 3.250 20 10 EGCDHN CN(c1ccc(NC(=O)c2cc([O-])cs2)cc1)C1CC[NH+](C)CC1 ZINC000732273968 575252203 /nfs/dbraw/zinc/25/22/03/575252203.db2.gz MIBTUOZPWBFZOP-UHFFFAOYSA-N 0 3 345.468 3.236 20 10 EGCDHN CN(C)CCOc1ccc(N(C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000732410996 575268163 /nfs/dbraw/zinc/26/81/63/575268163.db2.gz PHXGBXAIJQOGTM-UHFFFAOYSA-N 0 3 329.400 3.172 20 10 EGCDHN O=C(CNCc1c(O)cccc1Cl)Nc1ccc(Cl)cc1 ZINC000733325807 575328005 /nfs/dbraw/zinc/32/80/05/575328005.db2.gz YGDPKAWITJYXSH-UHFFFAOYSA-N 0 3 325.195 3.427 20 10 EGCDHN CC(C)[C@@H]1CCCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000734150260 575443151 /nfs/dbraw/zinc/44/31/51/575443151.db2.gz UPLHBLJEYGKQBF-GOSISDBHSA-N 0 3 331.504 3.127 20 10 EGCDHN CC[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)N(CC)CC ZINC000735998087 575749813 /nfs/dbraw/zinc/74/98/13/575749813.db2.gz KMCLVMQWRVIALL-LJQANCHMSA-N 0 3 331.504 3.364 20 10 EGCDHN Cc1cc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000741725033 576714119 /nfs/dbraw/zinc/71/41/19/576714119.db2.gz QRSGUMWMPODZIN-SUMWQHHRSA-N 0 3 343.446 3.446 20 10 EGCDHN CC[NH+](CC)[C@@H]1CCN(Cc2ccc(Br)cc2[O-])C1 ZINC000701175431 1298184300 /nfs/dbraw/zinc/18/43/00/1298184300.db2.gz QJBAPTIPRIILQU-CQSZACIVSA-N 0 3 327.266 3.071 20 10 EGCDHN CC[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1ccc(C)cc1[O-] ZINC000794804527 1309598493 /nfs/dbraw/zinc/59/84/93/1309598493.db2.gz UQURUAGNSRYDTK-CRAIPNDOSA-N 0 3 333.403 3.320 20 10 EGCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccccc1F ZINC000076074493 1292419232 /nfs/dbraw/zinc/41/92/32/1292419232.db2.gz BPJGWRVNJFIYKU-INIZCTEOSA-N 0 3 333.403 3.183 20 10 EGCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccccc1F ZINC000076074493 1292419235 /nfs/dbraw/zinc/41/92/35/1292419235.db2.gz BPJGWRVNJFIYKU-INIZCTEOSA-N 0 3 333.403 3.183 20 10 EGCDHN CCN(CC)c1ccc(CNC(=O)c2ccc3c(c2)CNC3)cc1F ZINC000829038141 1292531115 /nfs/dbraw/zinc/53/11/15/1292531115.db2.gz ANKIPOKPRGGJMA-UHFFFAOYSA-N 0 3 341.430 3.205 20 10 EGCDHN C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)c1cc([O-])cs1 ZINC000830184888 1292680827 /nfs/dbraw/zinc/68/08/27/1292680827.db2.gz DJMPGZLDKIFDIQ-KBPBESRZSA-N 0 3 344.480 3.340 20 10 EGCDHN NC(=O)c1csc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000093319353 1292915944 /nfs/dbraw/zinc/91/59/44/1292915944.db2.gz HYMBOESQBOPHCO-UHFFFAOYSA-N 0 3 330.453 3.497 20 10 EGCDHN NC(=O)c1csc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000093319353 1292915949 /nfs/dbraw/zinc/91/59/49/1292915949.db2.gz HYMBOESQBOPHCO-UHFFFAOYSA-N 0 3 330.453 3.497 20 10 EGCDHN CCC(CC)[C@H](C[NH2+][C@H]1CCc2cccc([O-])c21)N1CCOCC1 ZINC000834502937 1293107247 /nfs/dbraw/zinc/10/72/47/1293107247.db2.gz USTQLXXVPLCSOH-ROUUACIJSA-N 0 3 332.488 3.106 20 10 EGCDHN C[C@@]1(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])CCC(=O)N1 ZINC000834910516 1293174199 /nfs/dbraw/zinc/17/41/99/1293174199.db2.gz XANRGNLJDUSSLM-RXVVDRJESA-N 0 3 338.451 3.324 20 10 EGCDHN Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000834912618 1293175505 /nfs/dbraw/zinc/17/55/05/1293175505.db2.gz SQKMMZUWOUUDKE-WBIUFABUSA-N 0 3 343.402 3.400 20 10 EGCDHN CCCCNC(=O)[C@H]1CCCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000124920291 1293488816 /nfs/dbraw/zinc/48/88/16/1293488816.db2.gz JQDPLPCCVFWXNV-INIZCTEOSA-N 0 3 335.467 3.020 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC(C3OCCO3)CC2)cc1F ZINC000130074064 1293643675 /nfs/dbraw/zinc/64/36/75/1293643675.db2.gz GSKCHEGBKGVPML-UHFFFAOYSA-N 0 3 336.451 3.257 20 10 EGCDHN Cc1nc(N2CCN(Cc3cc(C)c(C)cc3O)CC2)sc1C ZINC000133826440 1293754983 /nfs/dbraw/zinc/75/49/83/1293754983.db2.gz ANNHTXZMFBXZDV-UHFFFAOYSA-N 0 3 331.485 3.405 20 10 EGCDHN CN(Cc1ccc(OCC(F)(F)F)nc1)Cc1ccccc1O ZINC000137278211 1293828752 /nfs/dbraw/zinc/82/87/52/1293828752.db2.gz GDRGYNHCDSQHFJ-UHFFFAOYSA-N 0 3 326.318 3.360 20 10 EGCDHN COc1ccc(O)c([C@H](C)NCC(=O)N[C@@H](C)CCCC(C)C)c1 ZINC000182382446 1295041652 /nfs/dbraw/zinc/04/16/52/1295041652.db2.gz MUTUAAPRZKZRAN-GJZGRUSLSA-N 0 3 336.476 3.382 20 10 EGCDHN CCN(C(=O)CN[C@H](C)c1cc(OC)ccc1O)C1CCCCC1 ZINC000182426973 1295045720 /nfs/dbraw/zinc/04/57/20/1295045720.db2.gz TXAVMGQVBFLKCA-CQSZACIVSA-N 0 3 334.460 3.233 20 10 EGCDHN C[C@@]1(O)CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000183090928 1295097416 /nfs/dbraw/zinc/09/74/16/1295097416.db2.gz SIWZKTWXCRMNME-HXUWFJFHSA-N 0 3 327.424 3.318 20 10 EGCDHN C[C@@]1(O)CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000183090928 1295097428 /nfs/dbraw/zinc/09/74/28/1295097428.db2.gz SIWZKTWXCRMNME-HXUWFJFHSA-N 0 3 327.424 3.318 20 10 EGCDHN C[C@H]([NH2+]C[C@H](c1ccccc1)N1CCOCC1)c1ccccc1[O-] ZINC000183396178 1295115479 /nfs/dbraw/zinc/11/54/79/1295115479.db2.gz JCMPMTWMNXOWEH-QFBILLFUSA-N 0 3 326.440 3.116 20 10 EGCDHN C[C@@H]([NH2+]C[C@@H](c1cccc(F)c1)N1CCOCC1)c1ccccc1[O-] ZINC000183453768 1295120407 /nfs/dbraw/zinc/12/04/07/1295120407.db2.gz AAEPAIUYQKOACG-BEFAXECRSA-N 0 3 344.430 3.255 20 10 EGCDHN C[C@@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c1cc(F)ccc1[O-] ZINC000185660755 1295277754 /nfs/dbraw/zinc/27/77/54/1295277754.db2.gz FYQQSIXJFBRZFZ-LLVKDONJSA-N 0 3 326.412 3.485 20 10 EGCDHN C[C@H]([NH2+]C[C@H](NC(=O)OC(C)(C)C)C1CC1)c1cc(F)ccc1[O-] ZINC000186201025 1295312127 /nfs/dbraw/zinc/31/21/27/1295312127.db2.gz BTEQMSLWLILCDR-NHYWBVRUSA-N 0 3 338.423 3.485 20 10 EGCDHN O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1cccc(O)c1[O-] ZINC000186918075 1295357258 /nfs/dbraw/zinc/35/72/58/1295357258.db2.gz BZUPXBCAFOGOIL-UHFFFAOYSA-N 0 3 326.396 3.336 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)c([O-])c1 ZINC000385490025 1297582726 /nfs/dbraw/zinc/58/27/26/1297582726.db2.gz HXXHZUKXRHNJMZ-IEBWSBKVSA-N 0 3 340.467 3.252 20 10 EGCDHN CC/C=C\CCN1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000588477423 1298069989 /nfs/dbraw/zinc/06/99/89/1298069989.db2.gz YBXKJLRKZJCWRY-SREVYHEPSA-N 0 3 334.460 3.191 20 10 EGCDHN CCCN1CC[C@@H](C[NH2+]Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715828977 1298289362 /nfs/dbraw/zinc/28/93/62/1298289362.db2.gz QTIFIXKRTFJVQZ-NSHDSACASA-N 0 3 345.256 3.115 20 10 EGCDHN C[C@@H](NC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C)c1ccccc1O ZINC000875573234 1298393848 /nfs/dbraw/zinc/39/38/48/1298393848.db2.gz JNRVZBJWXMJKKW-CLCXKQKWSA-N 0 3 341.455 3.444 20 10 EGCDHN Cc1cccc([O-])c1C[NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000876992071 1299103830 /nfs/dbraw/zinc/10/38/30/1299103830.db2.gz YUTSJKJQSWZRRG-INIZCTEOSA-N 0 3 341.329 3.422 20 10 EGCDHN CSc1nnc(CCC[NH2+]Cc2c(C)cccc2[O-])n1CC(C)C ZINC000877030219 1299119945 /nfs/dbraw/zinc/11/99/45/1299119945.db2.gz BTMWXLKZSIJBDM-UHFFFAOYSA-N 0 3 348.516 3.392 20 10 EGCDHN CSc1nnc(CCC[NH2+]Cc2ccc(C)cc2[O-])n1CC(C)C ZINC000877030417 1299120238 /nfs/dbraw/zinc/12/02/38/1299120238.db2.gz GCKLMPPCXOGYIX-UHFFFAOYSA-N 0 3 348.516 3.392 20 10 EGCDHN CC(=O)NCCN(Cc1ccc(C)s1)Cc1ccc(C)cc1O ZINC000877503003 1299352172 /nfs/dbraw/zinc/35/21/72/1299352172.db2.gz YIKITJUFYOSWQR-UHFFFAOYSA-N 0 3 332.469 3.209 20 10 EGCDHN CCN(Cc1ccncc1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877522967 1299366148 /nfs/dbraw/zinc/36/61/48/1299366148.db2.gz GKFLWSCPYONKPN-UHFFFAOYSA-N 0 3 325.456 3.065 20 10 EGCDHN COc1cc([C@H](C)[NH2+][C@H](C)c2ccc(C)cc2[O-])ccc1OCCO ZINC000756455216 1300496434 /nfs/dbraw/zinc/49/64/34/1300496434.db2.gz BOBXIQZDAOXHNN-LSDHHAIUSA-N 0 3 345.439 3.492 20 10 EGCDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2cccc(F)c2)c2c1c(F)ccc2[O-] ZINC000756462133 1300497042 /nfs/dbraw/zinc/49/70/42/1300497042.db2.gz ZWJDWJWPYWKYEW-AXAPSJFSSA-N 0 3 349.377 3.248 20 10 EGCDHN C[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccn2)c2c1c(F)ccc2[O-] ZINC000756477341 1300500878 /nfs/dbraw/zinc/50/08/78/1300500878.db2.gz AHRYLMOYGSNTNG-WCQYABFASA-N 0 3 329.375 3.093 20 10 EGCDHN CCc1nn(C)c(OC)c1CN[C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756664827 1300543706 /nfs/dbraw/zinc/54/37/06/1300543706.db2.gz QQCCVBCGOBUEOB-YGRLFVJLSA-N 0 3 333.407 3.174 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+][C@@H](CO)Cc2ccc(F)cc2)c2c1c(F)ccc2[O-] ZINC000756774932 1300564056 /nfs/dbraw/zinc/56/40/56/1300564056.db2.gz MKMPNODYAPOROB-XFJVYGCCSA-N 0 3 333.378 3.412 20 10 EGCDHN C[C@@H]([NH2+]C[C@@H](O)COCc1ccccc1Cl)c1ccccc1[O-] ZINC000879649278 1300648942 /nfs/dbraw/zinc/64/89/42/1300648942.db2.gz OVQBJVMVHUSQEA-UKRRQHHQSA-N 0 3 335.831 3.274 20 10 EGCDHN CCc1ccc(CN(C)C(=O)C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000879649051 1300650357 /nfs/dbraw/zinc/65/03/57/1300650357.db2.gz KMKXYPYFDZQAGH-OAHLLOKOSA-N 0 3 326.440 3.264 20 10 EGCDHN COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000761202474 1301420129 /nfs/dbraw/zinc/42/01/29/1301420129.db2.gz ZHRACDQTIRCONM-CXAGYDPISA-N 0 3 341.835 3.266 20 10 EGCDHN COC[C@H](Cc1ccccc1)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000761214195 1301421814 /nfs/dbraw/zinc/42/18/14/1301421814.db2.gz ABJXBYGHOALGII-INIZCTEOSA-N 0 3 335.831 3.402 20 10 EGCDHN [O-]c1ccccc1C[N@H+](CCCc1ccncc1)C[C@H]1CCCO1 ZINC000764975972 1302178418 /nfs/dbraw/zinc/17/84/18/1302178418.db2.gz DHMVANJZPUCDKM-LJQANCHMSA-N 0 3 326.440 3.401 20 10 EGCDHN [O-]c1ccccc1C[N@@H+](CCCc1ccncc1)C[C@H]1CCCO1 ZINC000764975972 1302178425 /nfs/dbraw/zinc/17/84/25/1302178425.db2.gz DHMVANJZPUCDKM-LJQANCHMSA-N 0 3 326.440 3.401 20 10 EGCDHN C[C@@H](NCCOCC1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765867289 1302342281 /nfs/dbraw/zinc/34/22/81/1302342281.db2.gz LTQHNZCQGZRELF-CQSZACIVSA-N 0 3 338.879 3.254 20 10 EGCDHN CN1CCN(c2ccc(CNCc3cscc3Cl)cc2)CC1 ZINC000883283753 1302362025 /nfs/dbraw/zinc/36/20/25/1302362025.db2.gz RMJUMXQJRGOHBO-UHFFFAOYSA-N 0 3 335.904 3.443 20 10 EGCDHN Oc1ccccc1CN(Cc1n[nH]c2ccccc21)C[C@@H]1CCCO1 ZINC000768160867 1302839393 /nfs/dbraw/zinc/83/93/93/1302839393.db2.gz BAWCQKGQRBKCBI-INIZCTEOSA-N 0 3 337.423 3.450 20 10 EGCDHN CCOc1cccc(CN(C)Cc2ccc3c(c2)OCCO3)c1O ZINC000768183701 1302846815 /nfs/dbraw/zinc/84/68/15/1302846815.db2.gz PBUADCFIPVQRKX-UHFFFAOYSA-N 0 3 329.396 3.194 20 10 EGCDHN COc1cccc(O)c1CN1CCC(C(=O)c2ccccc2)CC1 ZINC000768227708 1302860834 /nfs/dbraw/zinc/86/08/34/1302860834.db2.gz VQYDSAJEPYUNJV-UHFFFAOYSA-N 0 3 325.408 3.496 20 10 EGCDHN [O-]c1cc2c(cc1C[NH+]1CCC(c3ccccc3F)CC1)[C@H](O)CO2 ZINC000768447265 1302906642 /nfs/dbraw/zinc/90/66/42/1302906642.db2.gz NXMMGSUNPDKWON-LJQANCHMSA-N 0 3 343.398 3.337 20 10 EGCDHN COc1cc(CN2CCN(CCc3cccs3)CC2)c(O)cc1C ZINC000768443843 1302907239 /nfs/dbraw/zinc/90/72/39/1302907239.db2.gz UZRVHJCBCCPGPN-UHFFFAOYSA-N 0 3 346.496 3.131 20 10 EGCDHN Cc1ccc(C[C@@H]2CCC[N@@H+]2Cc2cc3c(cc2[O-])OC[C@@H]3O)cc1 ZINC000768444462 1302908064 /nfs/dbraw/zinc/90/80/64/1302908064.db2.gz BMBFEAXQLHZNCD-PXNSSMCTSA-N 0 3 339.435 3.334 20 10 EGCDHN Cc1ccc(C[C@@H]2CCC[N@H+]2Cc2cc3c(cc2[O-])OC[C@@H]3O)cc1 ZINC000768444462 1302908071 /nfs/dbraw/zinc/90/80/71/1302908071.db2.gz BMBFEAXQLHZNCD-PXNSSMCTSA-N 0 3 339.435 3.334 20 10 EGCDHN Cc1csc(C2(NCc3cc4c(cc3O)OC[C@@H]4O)CCCC2)n1 ZINC000768465459 1302913137 /nfs/dbraw/zinc/91/31/37/1302913137.db2.gz NFAJOLKHQILIGJ-HNNXBMFYSA-N 0 3 346.452 3.142 20 10 EGCDHN CCCCCC(=O)NC1CC[NH+](Cc2c([O-])cccc2OC)CC1 ZINC000769224869 1303075460 /nfs/dbraw/zinc/07/54/60/1303075460.db2.gz ZWUSGJYKCKLPKO-UHFFFAOYSA-N 0 3 334.460 3.062 20 10 EGCDHN CC(=O)N1CCN(Cc2ccc(N(C)C)cc2)CC12CCCCC2 ZINC000770293668 1303245392 /nfs/dbraw/zinc/24/53/92/1303245392.db2.gz RQRJPHZRLCLXBL-UHFFFAOYSA-N 0 3 329.488 3.120 20 10 EGCDHN C[C@@H](N[C@@H](C)C(=O)NCCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000774480359 1303815460 /nfs/dbraw/zinc/81/54/60/1303815460.db2.gz AWKZFODWMPTALT-SJORKVTESA-N 0 3 339.483 3.151 20 10 EGCDHN CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2ccc(OCC)cc2[O-])C1 ZINC000775199771 1303923726 /nfs/dbraw/zinc/92/37/26/1303923726.db2.gz GFGFNKBADXOZCS-IBGZPJMESA-N 0 3 335.444 3.202 20 10 EGCDHN CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2ccc(OCC)cc2[O-])C1 ZINC000775199771 1303923730 /nfs/dbraw/zinc/92/37/30/1303923730.db2.gz GFGFNKBADXOZCS-IBGZPJMESA-N 0 3 335.444 3.202 20 10 EGCDHN CC[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775508445 1303976145 /nfs/dbraw/zinc/97/61/45/1303976145.db2.gz CGGXYTFZGAMTTR-CYBMUJFWSA-N 0 3 347.286 3.196 20 10 EGCDHN C[C@H](NCC(=O)N(C1CC1)C1CCCC1)c1ccc(N(C)C)cc1 ZINC000775833443 1304046862 /nfs/dbraw/zinc/04/68/62/1304046862.db2.gz IZRNULFPVCRVTG-HNNXBMFYSA-N 0 3 329.488 3.337 20 10 EGCDHN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])[C@@H]1OC ZINC000775978936 1304073642 /nfs/dbraw/zinc/07/36/42/1304073642.db2.gz PINRNNSBCVKNJI-SXLOBPIMSA-N 0 3 327.424 3.341 20 10 EGCDHN CO[C@@H]1C[C@H]([NH2+]Cc2cc(Br)cc(C)c2[O-])C1(C)C ZINC000776229714 1304118049 /nfs/dbraw/zinc/11/80/49/1304118049.db2.gz ATWKERXCCDXZNY-QWHCGFSZSA-N 0 3 328.250 3.366 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](CO)CC2CC2)c1[O-] ZINC000779038185 1304522267 /nfs/dbraw/zinc/52/22/67/1304522267.db2.gz JXMLAPVFVSKENT-ZWNOBZJWSA-N 0 3 328.250 3.275 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C2COC(C)(C)OC2)c1[O-] ZINC000779051667 1304522954 /nfs/dbraw/zinc/52/29/54/1304522954.db2.gz XPIISFKVLMAABB-JTQLQIEISA-N 0 3 344.249 3.265 20 10 EGCDHN Cc1ccc(C(=O)N(C)C(C)(C)C[NH+]2CCCCCC2)c([O-])c1O ZINC000779225249 1304544184 /nfs/dbraw/zinc/54/41/84/1304544184.db2.gz MTWYZEQSVBEJBM-UHFFFAOYSA-N 0 3 334.460 3.133 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+][C@@H](C)[C@H]2CCCOC2)c1[O-] ZINC000780780498 1304737811 /nfs/dbraw/zinc/73/78/11/1304737811.db2.gz XEVVUTGTEDXXCQ-RYUDHWBXSA-N 0 3 328.250 3.368 20 10 EGCDHN COc1cc(CN2CCC(Oc3cc(C)ccn3)CC2)c(O)cc1C ZINC000782277569 1304945757 /nfs/dbraw/zinc/94/57/57/1304945757.db2.gz JVOFETBKULDWDQ-UHFFFAOYSA-N 0 3 342.439 3.456 20 10 EGCDHN C/C(=C/c1ccco1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891245320 1304998929 /nfs/dbraw/zinc/99/89/29/1304998929.db2.gz COEFQAUJDHDMGI-RXHHAWBHSA-N 0 3 341.455 3.168 20 10 EGCDHN C/C(=C\c1ccco1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891245317 1304999312 /nfs/dbraw/zinc/99/93/12/1304999312.db2.gz COEFQAUJDHDMGI-LLLGYDHXSA-N 0 3 341.455 3.168 20 10 EGCDHN CCCc1occc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247369 1304999725 /nfs/dbraw/zinc/99/97/25/1304999725.db2.gz JOFPXEKXFDLYPO-GOSISDBHSA-N 0 3 343.471 3.331 20 10 EGCDHN C[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1cccs1 ZINC000891251529 1305000308 /nfs/dbraw/zinc/00/03/08/1305000308.db2.gz FYIDPXFEEKETNF-WMLDXEAASA-N 0 3 345.512 3.337 20 10 EGCDHN COc1ccc(CN[C@@H](C)c2cccc(NC(C)=O)c2)c(O)c1OC ZINC000892505612 1305412565 /nfs/dbraw/zinc/41/25/65/1305412565.db2.gz DMOCCHUIJDUHNV-LBPRGKRZSA-N 0 3 344.411 3.219 20 10 EGCDHN COc1ccc(CN2C[C@@H](C)C[C@@H]2c2cccnc2)c(O)c1OC ZINC000893572680 1305974375 /nfs/dbraw/zinc/97/43/75/1305974375.db2.gz SMUFJFQLXNJCDS-XJKSGUPXSA-N 0 3 328.412 3.388 20 10 EGCDHN C[C@H](CN1CCOCC1)[N@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000789763172 1306211760 /nfs/dbraw/zinc/21/17/60/1306211760.db2.gz GEWLYTHKXIEEEK-QGZVFWFLSA-N 0 3 340.467 3.212 20 10 EGCDHN C[C@H](CN1CCOCC1)[N@@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000789763172 1306211767 /nfs/dbraw/zinc/21/17/67/1306211767.db2.gz GEWLYTHKXIEEEK-QGZVFWFLSA-N 0 3 340.467 3.212 20 10 EGCDHN C[C@@H](CN1CCOCC1)[N@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000789763171 1306212468 /nfs/dbraw/zinc/21/24/68/1306212468.db2.gz GEWLYTHKXIEEEK-KRWDZBQOSA-N 0 3 340.467 3.212 20 10 EGCDHN C[C@@H](CN1CCOCC1)[N@@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000789763171 1306212480 /nfs/dbraw/zinc/21/24/80/1306212480.db2.gz GEWLYTHKXIEEEK-KRWDZBQOSA-N 0 3 340.467 3.212 20 10 EGCDHN CCN(CC)c1ccc(CN2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)cc1 ZINC000790930577 1308889184 /nfs/dbraw/zinc/88/91/84/1308889184.db2.gz ALBKWGYWVGZTGN-SQGPQFPESA-N 0 3 332.488 3.301 20 10 EGCDHN COc1ccc(N2CC[C@H](CNCc3nc(C)c(C)s3)C2)cc1 ZINC000895006548 1309151181 /nfs/dbraw/zinc/15/11/81/1309151181.db2.gz RLQFOEPPUDTGGO-OAHLLOKOSA-N 0 3 331.485 3.385 20 10 EGCDHN CCOc1ccc(C[NH2+][C@@H](C)CCNC(=O)OC(C)(C)C)c([O-])c1 ZINC000793602045 1309414482 /nfs/dbraw/zinc/41/44/82/1309414482.db2.gz RYRDGOAEUXSMAA-ZDUSSCGKSA-N 0 3 338.448 3.184 20 10 EGCDHN CC(=O)c1cc(F)cc(CN2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c1[O-] ZINC000795120775 1309673043 /nfs/dbraw/zinc/67/30/43/1309673043.db2.gz LULBUJYVMWKHRT-ZDUSSCGKSA-N 0 3 334.435 3.040 20 10 EGCDHN CC(=O)c1cc(F)cc(CN2CC[N@H+](C3CCC3)C[C@@H](C)C2)c1[O-] ZINC000795120775 1309673047 /nfs/dbraw/zinc/67/30/47/1309673047.db2.gz LULBUJYVMWKHRT-ZDUSSCGKSA-N 0 3 334.435 3.040 20 10 EGCDHN CC(C)NC(=O)OC[C@@H]1CCCCN1Cc1ccc(N(C)C)cc1 ZINC000796710576 1310070866 /nfs/dbraw/zinc/07/08/66/1310070866.db2.gz YIQDLYCYRAXZBW-SFHVURJKSA-N 0 3 333.476 3.242 20 10 EGCDHN COc1cccc(CN(CCc2ccccn2)Cc2cccnc2)c1O ZINC000797605569 1310220976 /nfs/dbraw/zinc/22/09/76/1310220976.db2.gz RCDYJVSUQKSYHD-UHFFFAOYSA-N 0 3 349.434 3.436 20 10 EGCDHN CC(C)OC[C@@H](C)[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000800239002 1310709691 /nfs/dbraw/zinc/70/96/91/1310709691.db2.gz CKUKJWQAVMMNMN-RHSMWYFYSA-N 0 3 340.895 3.413 20 10 EGCDHN C[C@@H](N(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1(C)CC1 ZINC000899102594 1310936460 /nfs/dbraw/zinc/93/64/60/1310936460.db2.gz RBOPTBRCAZCZGB-QAPCUYQASA-N 0 3 346.519 3.185 20 10 EGCDHN COc1ccc(N2CCCN(Cc3c(C4CC4)cnn3C)CC2)cc1 ZINC000824606179 1320269308 /nfs/dbraw/zinc/26/93/08/1320269308.db2.gz PGUMZLZFTGYHEM-UHFFFAOYSA-N 0 3 340.471 3.018 20 10 EGCDHN CCc1oc(CNCCCSc2nccs2)cc1C(=O)OC ZINC000802645933 1317019898 /nfs/dbraw/zinc/01/98/98/1317019898.db2.gz GTXDTIVTYIEQJX-UHFFFAOYSA-N 0 3 340.470 3.357 20 10 EGCDHN C[C@H](COCC(F)(F)F)NCc1cc(F)c(N(C)C)cc1F ZINC000858118414 1328687866 /nfs/dbraw/zinc/68/78/66/1328687866.db2.gz ZPEXRFURYQPPDB-SECBINFHSA-N 0 3 326.309 3.088 20 10 EGCDHN CNc1ccccc1CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000902103199 1317523046 /nfs/dbraw/zinc/52/30/46/1317523046.db2.gz VVBWAWILLWLNBD-INIZCTEOSA-N 0 3 325.456 3.416 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)c1[O-] ZINC000808710802 1317719931 /nfs/dbraw/zinc/71/99/31/1317719931.db2.gz VPUQBZVQDZLBIX-QEORTHHSSA-N 0 3 325.836 3.343 20 10 EGCDHN COc1ccc(N2CCN(CCCc3cnccc3C)CC2)cc1F ZINC000809593388 1317838102 /nfs/dbraw/zinc/83/81/02/1317838102.db2.gz NEPZUPFPWAIATQ-UHFFFAOYSA-N 0 3 343.446 3.293 20 10 EGCDHN CCc1ccc([C@H](O)C[NH2+]Cc2cc(Cl)cc(OC)c2[O-])cc1 ZINC000809688814 1317862838 /nfs/dbraw/zinc/86/28/38/1317862838.db2.gz FNIZLQDMPIRICG-MRXNPFEDSA-N 0 3 335.831 3.440 20 10 EGCDHN C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1cc(Br)ccc1[O-] ZINC000809724455 1317878351 /nfs/dbraw/zinc/87/83/51/1317878351.db2.gz KSOHSRBRAKCZQP-SWLSCSKDSA-N 0 3 339.277 3.213 20 10 EGCDHN O=C(NC1CCCC1)OC[C@@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000811510380 1318188209 /nfs/dbraw/zinc/18/82/09/1318188209.db2.gz DLXREXWRIAMIKZ-KRWDZBQOSA-N 0 3 332.444 3.416 20 10 EGCDHN O=C(NC1CCCC1)OC[C@@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000811510380 1318188212 /nfs/dbraw/zinc/18/82/12/1318188212.db2.gz DLXREXWRIAMIKZ-KRWDZBQOSA-N 0 3 332.444 3.416 20 10 EGCDHN CCOc1ccc(C[N@@H+]2CCCC[C@@H]2COC(=O)NC2CC2)c([O-])c1 ZINC000811511188 1318190354 /nfs/dbraw/zinc/19/03/54/1318190354.db2.gz DZQAKPJCLRLWMA-MRXNPFEDSA-N 0 3 348.443 3.034 20 10 EGCDHN CCOc1ccc(C[N@H+]2CCCC[C@@H]2COC(=O)NC2CC2)c([O-])c1 ZINC000811511188 1318190361 /nfs/dbraw/zinc/19/03/61/1318190361.db2.gz DZQAKPJCLRLWMA-MRXNPFEDSA-N 0 3 348.443 3.034 20 10 EGCDHN CC[C@H]([NH2+][C@H]1CC(=O)N(c2ccccc2F)C1)c1ccccc1[O-] ZINC000812739977 1318446271 /nfs/dbraw/zinc/44/62/71/1318446271.db2.gz JTPPAAJMXNBDTG-BBRMVZONSA-N 0 3 328.387 3.378 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CC(=O)N(c3ccccc3F)C2)c([O-])c1 ZINC000812741556 1318447547 /nfs/dbraw/zinc/44/75/47/1318447547.db2.gz VGHLKZALWQHIJP-KGLIPLIRSA-N 0 3 328.387 3.296 20 10 EGCDHN CCOc1ccc(C[NH2+][C@H]2CCN(c3ccccc3F)C2)c([O-])c1 ZINC000813792320 1318632700 /nfs/dbraw/zinc/63/27/00/1318632700.db2.gz WCZRZQWNLNIOSY-HNNXBMFYSA-N 0 3 330.403 3.299 20 10 EGCDHN [O-]c1c(C[NH+]2CCN(Cc3cccnc3)CC2)ccc2ccccc21 ZINC000816564631 1319184769 /nfs/dbraw/zinc/18/47/69/1319184769.db2.gz LKALQJPDTOZCOC-UHFFFAOYSA-N 0 3 333.435 3.258 20 10 EGCDHN CN(C)C(=O)OC1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000816655077 1319201318 /nfs/dbraw/zinc/20/13/18/1319201318.db2.gz OOWVNTAZOHUGHP-UHFFFAOYSA-N 0 3 345.487 3.340 20 10 EGCDHN CO[C@@H](C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])C1CC1 ZINC000816651797 1319202059 /nfs/dbraw/zinc/20/20/59/1319202059.db2.gz QCDVAYDLOWBUJW-FQEVSTJZSA-N 0 3 327.424 3.486 20 10 EGCDHN Cc1nccnc1CC[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000816651920 1319202348 /nfs/dbraw/zinc/20/23/48/1319202348.db2.gz UKMXIZJQLLMHSK-UHFFFAOYSA-N 0 3 349.434 3.402 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@H](CO)CC2)c1[O-] ZINC000816666752 1319204736 /nfs/dbraw/zinc/20/47/36/1319204736.db2.gz VGFJVMZLITWNKY-LBPRGKRZSA-N 0 3 328.250 3.058 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@H](CO)CC2)c1[O-] ZINC000816666752 1319204740 /nfs/dbraw/zinc/20/47/40/1319204740.db2.gz VGFJVMZLITWNKY-LBPRGKRZSA-N 0 3 328.250 3.058 20 10 EGCDHN C[C@H]([NH2+][C@H](CN)C1CCCC1)c1cc(Br)ccc1[O-] ZINC000817980815 1319484007 /nfs/dbraw/zinc/48/40/07/1319484007.db2.gz DVHGEUBBKKAVEE-IINYFYTJSA-N 0 3 327.266 3.323 20 10 EGCDHN COC[C@@]1(C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])CCCN1 ZINC000817975847 1319484364 /nfs/dbraw/zinc/48/43/64/1319484364.db2.gz YHXUBPNYJJLOMQ-BONVTDFDSA-N 0 3 333.259 3.118 20 10 EGCDHN COc1ccc(N2CC[C@H](CNCc3c(C)nn(C)c3Cl)C2)cc1 ZINC000818222620 1319523101 /nfs/dbraw/zinc/52/31/01/1319523101.db2.gz ZCCAFGPFUHBTBD-CQSZACIVSA-N 0 3 348.878 3.007 20 10 EGCDHN CCn1ccnc1[C@H](C)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818341614 1319531068 /nfs/dbraw/zinc/53/10/68/1319531068.db2.gz BUPMBRVYVJDUCV-HOTGVXAUSA-N 0 3 328.460 3.089 20 10 EGCDHN Cc1cc([O-])c(C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)cc1Cl ZINC000825265947 1320322732 /nfs/dbraw/zinc/32/27/32/1320322732.db2.gz GQISSBUFHWCUFR-INIZCTEOSA-N 0 3 338.879 3.087 20 10 EGCDHN CC[C@@H]([NH2+]CC(C)(C)[C@@H]1COCC12OCCO2)c1ccc(C)cc1[O-] ZINC000840796534 1321149962 /nfs/dbraw/zinc/14/99/62/1321149962.db2.gz GCGLXHKFWMZQRL-AEFFLSMTSA-N 0 3 349.471 3.157 20 10 EGCDHN Cc1ccc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nn1 ZINC000840905379 1321174104 /nfs/dbraw/zinc/17/41/04/1321174104.db2.gz QFIPYVVNIFGSKL-OAHLLOKOSA-N 0 3 348.397 3.145 20 10 EGCDHN Cc1cc(N(C)C)ccc1CN1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000840911080 1321175398 /nfs/dbraw/zinc/17/53/98/1321175398.db2.gz WJYKGQWCYOXHMO-MRXNPFEDSA-N 0 3 333.476 3.160 20 10 EGCDHN Cc1cc(N(C)C)ccc1CNCc1cccc(C(=O)NC2CC2)c1 ZINC000840932674 1321180387 /nfs/dbraw/zinc/18/03/87/1321180387.db2.gz HXOXCDFGLLIVJI-UHFFFAOYSA-N 0 3 337.467 3.243 20 10 EGCDHN COc1cccc([C@@H](C)Nc2ccc(N3CCN(C)CC3)cc2)c1O ZINC000846159922 1321773050 /nfs/dbraw/zinc/77/30/50/1321773050.db2.gz NSADHCWQFBGGRC-OAHLLOKOSA-N 0 3 341.455 3.326 20 10 EGCDHN Oc1ccccc1CN(C[C@H]1CCCO1)CC1(Br)CC1 ZINC000846825809 1321813335 /nfs/dbraw/zinc/81/33/35/1321813335.db2.gz WNDJNQWQRPQXBQ-CQSZACIVSA-N 0 3 340.261 3.301 20 10 EGCDHN Cc1cnc(OC2CCN(Cc3ccc(N(C)C)c(C)c3)CC2)nc1 ZINC000847029072 1321835252 /nfs/dbraw/zinc/83/52/52/1321835252.db2.gz WIHUHJOFCGBFQF-UHFFFAOYSA-N 0 3 340.471 3.203 20 10 EGCDHN COC(=O)Cc1ccccc1C[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000848930905 1322048961 /nfs/dbraw/zinc/04/89/61/1322048961.db2.gz YJGBQSRABVCKLQ-UHFFFAOYSA-N 0 3 349.814 3.060 20 10 EGCDHN COc1cccc(CNCc2cc(F)ccc2OC(F)F)c1O ZINC000850408822 1322241149 /nfs/dbraw/zinc/24/11/49/1322241149.db2.gz UQQOAEMNGBTODK-UHFFFAOYSA-N 0 3 327.302 3.431 20 10 EGCDHN CC[C@@H]([NH2+][C@@H]1CC(=O)N(c2ccc(OC)cc2)C1)c1ccccc1[O-] ZINC000850516290 1322259834 /nfs/dbraw/zinc/25/98/34/1322259834.db2.gz UMQPCUVCPVFELF-RDTXWAMCSA-N 0 3 340.423 3.247 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]CC2(S(C)(=O)=O)CCCCC2)c([O-])c1 ZINC000850532863 1322261972 /nfs/dbraw/zinc/26/19/72/1322261972.db2.gz YQWNGTFOZYIYDI-AWEZNQCLSA-N 0 3 325.474 3.099 20 10 EGCDHN Cc1ccc(C)n1-c1ccsc1C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000923299597 1322728106 /nfs/dbraw/zinc/72/81/06/1322728106.db2.gz WUPURJPAVBRMEH-JKSUJKDBSA-N 0 3 343.496 3.464 20 10 EGCDHN [O-]c1cccc(Br)c1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000862234177 1329468995 /nfs/dbraw/zinc/46/89/95/1329468995.db2.gz GSGLFCQJIVRNQX-ZDUSSCGKSA-N 0 3 339.277 3.215 20 10 EGCDHN [O-]c1ccccc1C[NH+]1CCC(NC(=S)NC2CCCCC2)CC1 ZINC001200657556 1369407645 /nfs/dbraw/zinc/40/76/45/1369407645.db2.gz LDQVILCEQXJLMV-UHFFFAOYSA-N 0 3 347.528 3.153 20 10 EGCDHN O=C1C[C@@H](c2ccccc2)C2(CC[NH+](Cc3ccccc3[O-])CC2)N1 ZINC001203552707 1370167468 /nfs/dbraw/zinc/16/74/68/1370167468.db2.gz RCMQZKTYHHCJJU-SFHVURJKSA-N 0 3 336.435 3.031 20 10 EGCDHN CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001203562001 1370170370 /nfs/dbraw/zinc/17/03/70/1370170370.db2.gz APJWJYZDNCLPLR-FQEVSTJZSA-N 0 3 340.467 3.115 20 10 EGCDHN CC[N@H+](Cc1ccccc1[O-])C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001203562001 1370170375 /nfs/dbraw/zinc/17/03/75/1370170375.db2.gz APJWJYZDNCLPLR-FQEVSTJZSA-N 0 3 340.467 3.115 20 10 EGCDHN CCOc1cccc(CN2CC(c3ccc(C(=O)OC)cc3)C2)c1O ZINC001203615354 1370188882 /nfs/dbraw/zinc/18/88/82/1370188882.db2.gz SMBFTGHPAMPDRV-UHFFFAOYSA-N 0 3 341.407 3.177 20 10 EGCDHN COc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3Cc2ccc(C)o2)c([O-])c1 ZINC001203622047 1370190120 /nfs/dbraw/zinc/19/01/20/1370190120.db2.gz MLAMZFMJSHYTBI-MOPGFXCFSA-N 0 3 342.439 3.151 20 10 EGCDHN COc1ccc(C[N@H+]2CC[C@H]3[C@H]2CCN3Cc2ccc(C)o2)c([O-])c1 ZINC001203622047 1370190123 /nfs/dbraw/zinc/19/01/23/1370190123.db2.gz MLAMZFMJSHYTBI-MOPGFXCFSA-N 0 3 342.439 3.151 20 10 EGCDHN COc1ccc(O)c(CN2CCC(Oc3ncccc3C)CC2)c1 ZINC001203684271 1370217054 /nfs/dbraw/zinc/21/70/54/1370217054.db2.gz QITHQXYZYYCNBL-UHFFFAOYSA-N 0 3 328.412 3.148 20 10 EGCDHN COC(=O)c1ccc(C2CCN(Cc3ccc(O)c(O)c3)CC2)cc1 ZINC001203882622 1370298533 /nfs/dbraw/zinc/29/85/33/1370298533.db2.gz OCZDNWSSJQBQDV-UHFFFAOYSA-N 0 3 341.407 3.264 20 10 EGCDHN CN(C)c1ccc(CN2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)cc1 ZINC001203931979 1370319610 /nfs/dbraw/zinc/31/96/10/1370319610.db2.gz ZXAYZEDVGQLDSG-SJLPKXTDSA-N 0 3 345.487 3.194 20 10 EGCDHN COc1cccc(OCC2CC[NH+](Cc3ccc(O)cc3[O-])CC2)c1 ZINC001204280695 1370431659 /nfs/dbraw/zinc/43/16/59/1370431659.db2.gz MTCAZARGGCSNJT-UHFFFAOYSA-N 0 3 343.423 3.397 20 10 EGCDHN C[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)CC[C@]1(O)C(F)(F)F ZINC001204325854 1370444772 /nfs/dbraw/zinc/44/47/72/1370444772.db2.gz WBKPXMQKIHDYKJ-RHSMWYFYSA-N 0 3 342.405 3.422 20 10 EGCDHN c1cnc(O[C@H]2CCCN(Cc3ccc(N4CCCC4)cc3)C2)nc1 ZINC001204329378 1370445692 /nfs/dbraw/zinc/44/56/92/1370445692.db2.gz ORNWNMRAGDRZTL-IBGZPJMESA-N 0 3 338.455 3.120 20 10 EGCDHN CC[N@H+](Cc1ccc(CN2CCOCC2)cc1)Cc1ccccc1[O-] ZINC001206722614 1371145408 /nfs/dbraw/zinc/14/54/08/1371145408.db2.gz PNBREMACBVSQTM-UHFFFAOYSA-N 0 3 340.467 3.247 20 10 EGCDHN CC[N@@H+](Cc1ccc(CN2CCOCC2)cc1)Cc1ccccc1[O-] ZINC001206722614 1371145409 /nfs/dbraw/zinc/14/54/09/1371145409.db2.gz PNBREMACBVSQTM-UHFFFAOYSA-N 0 3 340.467 3.247 20 10 EGCDHN CC(C)CC(=O)N1CCCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001119303714 1371302124 /nfs/dbraw/zinc/30/21/24/1371302124.db2.gz IJTVWCJGUNWOBE-UHFFFAOYSA-N 0 3 343.515 3.367 20 10 EGCDHN COc1ccc(-c2c(CN3CCc4cccc(O)c4C3)cnn2C)cc1 ZINC001232112031 1376400561 /nfs/dbraw/zinc/40/05/61/1376400561.db2.gz ZFNMVURLMZZWFT-UHFFFAOYSA-N 0 3 349.434 3.360 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)c1[O-] ZINC001233289071 1376606884 /nfs/dbraw/zinc/60/68/84/1376606884.db2.gz IQBBUNUTNMRBEA-DLBZAZTESA-N 0 3 347.842 3.232 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)c1[O-] ZINC001233289071 1376606889 /nfs/dbraw/zinc/60/68/89/1376606889.db2.gz IQBBUNUTNMRBEA-DLBZAZTESA-N 0 3 347.842 3.232 20 10 EGCDHN [O-]c1ccc(Br)cc1CN1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235038190 1376836912 /nfs/dbraw/zinc/83/69/12/1376836912.db2.gz DNLYKESQHAIOJK-MRXNPFEDSA-N 0 3 339.277 3.263 20 10 EGCDHN CC(C)c1ccc(C[NH+]2CCC(NC(=O)C3CCC3)CC2)c([O-])c1 ZINC001237053612 1376972031 /nfs/dbraw/zinc/97/20/31/1376972031.db2.gz OPKBWLXJIVWXHI-UHFFFAOYSA-N 0 3 330.472 3.396 20 10 EGCDHN CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237058909 1376973151 /nfs/dbraw/zinc/97/31/51/1376973151.db2.gz LQBDGBBRWUSHHV-AWEZNQCLSA-N 0 3 333.350 3.069 20 10 EGCDHN CC(C)(O)[C@@H]1CCC[N@H+]1Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237058909 1376973156 /nfs/dbraw/zinc/97/31/56/1376973156.db2.gz LQBDGBBRWUSHHV-AWEZNQCLSA-N 0 3 333.350 3.069 20 10 EGCDHN COC(=O)CCc1c(C)[nH]c(CN2CCc3cccc(O)c3C2)c1C ZINC001136921261 1377439838 /nfs/dbraw/zinc/43/98/38/1377439838.db2.gz XGXSHDUBRWWNQD-UHFFFAOYSA-N 0 3 342.439 3.001 20 10 EGCDHN COC(=O)CCc1c(C)[nH]c(C[N@@H+]2CCc3cccc([O-])c3C2)c1C ZINC001136921261 1377439841 /nfs/dbraw/zinc/43/98/41/1377439841.db2.gz XGXSHDUBRWWNQD-UHFFFAOYSA-N 0 3 342.439 3.001 20 10 EGCDHN COC(=O)CCc1c(C)[nH]c(C[N@H+]2CCc3cccc([O-])c3C2)c1C ZINC001136921261 1377439845 /nfs/dbraw/zinc/43/98/45/1377439845.db2.gz XGXSHDUBRWWNQD-UHFFFAOYSA-N 0 3 342.439 3.001 20 10 EGCDHN [O-]c1c(F)cccc1C[N@@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001138130660 1377682263 /nfs/dbraw/zinc/68/22/63/1377682263.db2.gz FPIRHDWLQGEEDU-QFBILLFUSA-N 0 3 326.415 3.238 20 10 EGCDHN [O-]c1c(F)cccc1C[N@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001138130660 1377682267 /nfs/dbraw/zinc/68/22/67/1377682267.db2.gz FPIRHDWLQGEEDU-QFBILLFUSA-N 0 3 326.415 3.238 20 10 EGCDHN [O-]c1c(F)cccc1CN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001138130660 1377682270 /nfs/dbraw/zinc/68/22/70/1377682270.db2.gz FPIRHDWLQGEEDU-QFBILLFUSA-N 0 3 326.415 3.238 20 10 EGCDHN [O-]c1c(F)cccc1CN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001138130660 1377682275 /nfs/dbraw/zinc/68/22/75/1377682275.db2.gz FPIRHDWLQGEEDU-QFBILLFUSA-N 0 3 326.415 3.238 20 10 EGCDHN Cc1c(CN2CCCC[C@H]2C(=O)N2CCCC2)c2ccccc2n1C ZINC001138256783 1377694962 /nfs/dbraw/zinc/69/49/62/1377694962.db2.gz KPLYWRZNCYXGPJ-FQEVSTJZSA-N 0 3 339.483 3.464 20 10 EGCDHN CN(CCN(C)C(=O)OC(C)(C)C)Cc1ccc2c(c1)CCCN2C ZINC001138354386 1377708427 /nfs/dbraw/zinc/70/84/27/1377708427.db2.gz HPTLROYTDFJFNW-UHFFFAOYSA-N 0 3 347.503 3.368 20 10 EGCDHN CCN(CC)c1ccc(CN2CCN3CCCC[C@@H]3C2)c(OC)c1 ZINC001138389651 1377714224 /nfs/dbraw/zinc/71/42/24/1377714224.db2.gz RVBLMMQMVHQMFX-LJQANCHMSA-N 0 3 331.504 3.212 20 10 EGCDHN CC[N@H+](Cc1ccc(N2CCC(O)CC2)s1)Cc1ccccc1[O-] ZINC001139296988 1377864027 /nfs/dbraw/zinc/86/40/27/1377864027.db2.gz SFDUOBUFIGCNMM-UHFFFAOYSA-N 0 3 346.496 3.437 20 10 EGCDHN CC[N@@H+](Cc1ccc(N2CCC(O)CC2)s1)Cc1ccccc1[O-] ZINC001139296988 1377864029 /nfs/dbraw/zinc/86/40/29/1377864029.db2.gz SFDUOBUFIGCNMM-UHFFFAOYSA-N 0 3 346.496 3.437 20 10 EGCDHN CCOC(=O)c1coc(C2CC[NH+](Cc3cc(F)ccc3[O-])CC2)n1 ZINC001140060449 1377998528 /nfs/dbraw/zinc/99/85/28/1377998528.db2.gz WISSXGRYZMMMJC-UHFFFAOYSA-N 0 3 348.374 3.076 20 10 EGCDHN C[N@H+](Cc1cc(F)ccc1[O-])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001140062884 1377999021 /nfs/dbraw/zinc/99/90/21/1377999021.db2.gz HMUBCJWQBHNVIK-HNNXBMFYSA-N 0 3 338.423 3.363 20 10 EGCDHN C[N@@H+](Cc1cc(F)ccc1[O-])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001140062884 1377999024 /nfs/dbraw/zinc/99/90/24/1377999024.db2.gz HMUBCJWQBHNVIK-HNNXBMFYSA-N 0 3 338.423 3.363 20 10 EGCDHN CCCC[NH+]1CCN(Cc2c([O-])cccc2Br)CC1 ZINC001140101581 1378007451 /nfs/dbraw/zinc/00/74/51/1378007451.db2.gz UNGKHTUDRWVBRU-UHFFFAOYSA-N 0 3 327.266 3.072 20 10 EGCDHN C[N@H+](C1CCOCC1)C1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001140465653 1378067870 /nfs/dbraw/zinc/06/78/70/1378067870.db2.gz PVBKAXBPSAURFR-UHFFFAOYSA-N 0 3 338.879 3.121 20 10 EGCDHN C[N@@H+](C1CCOCC1)C1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001140465653 1378067873 /nfs/dbraw/zinc/06/78/73/1378067873.db2.gz PVBKAXBPSAURFR-UHFFFAOYSA-N 0 3 338.879 3.121 20 10 EGCDHN CC[C@H](C)N1CC[C@]2(CCC[N@H+](Cc3ccccc3[O-])CC2)C1=O ZINC001272618309 1378076669 /nfs/dbraw/zinc/07/66/69/1378076669.db2.gz FMADWRYQNBUREV-OXJNMPFZSA-N 0 3 330.472 3.395 20 10 EGCDHN CC[C@H](C)N1CC[C@]2(CCC[N@@H+](Cc3ccccc3[O-])CC2)C1=O ZINC001272618309 1378076671 /nfs/dbraw/zinc/07/66/71/1378076671.db2.gz FMADWRYQNBUREV-OXJNMPFZSA-N 0 3 330.472 3.395 20 10 EGCDHN CCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)ccc1[O-] ZINC001273285255 1378094329 /nfs/dbraw/zinc/09/43/29/1378094329.db2.gz OGIRGXQUPCGEPT-IBGZPJMESA-N 0 3 334.435 3.288 20 10 EGCDHN CCCCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(F)ccc1[O-] ZINC001273285255 1378094332 /nfs/dbraw/zinc/09/43/32/1378094332.db2.gz OGIRGXQUPCGEPT-IBGZPJMESA-N 0 3 334.435 3.288 20 10 EGCDHN CO[C@@H](CN1CCN(Cc2cc(C)ccc2O)CC1)c1ccccc1 ZINC001140623783 1378100463 /nfs/dbraw/zinc/10/04/63/1378100463.db2.gz RLVGXPYOEGWVJN-NRFANRHFSA-N 0 3 340.467 3.206 20 10 EGCDHN Fc1cc(N2CCOCC2)ccc1CN1CC[C@@H](c2cccnc2)C1 ZINC001140661532 1378108994 /nfs/dbraw/zinc/10/89/94/1378108994.db2.gz IGLHBBXWFINXMQ-QGZVFWFLSA-N 0 3 341.430 3.047 20 10 EGCDHN Cc1c(O)ccc(CN2CCN(c3cccc(Cl)c3)CC2)c1O ZINC001140744341 1378128529 /nfs/dbraw/zinc/12/85/29/1378128529.db2.gz ULJCJYPTULAFMG-UHFFFAOYSA-N 0 3 332.831 3.382 20 10 EGCDHN Cc1ccc(C[NH+]2CCC3(CC2)OC(=O)Nc2ncccc23)c([O-])c1 ZINC001140951094 1378189869 /nfs/dbraw/zinc/18/98/69/1378189869.db2.gz YSVQGYVEVNUWIQ-UHFFFAOYSA-N 0 3 339.395 3.149 20 10 EGCDHN Cc1ccc(CN2CCC[C@@H](NC(=O)c3ccc(F)cc3)C2)c(O)c1 ZINC001140954333 1378191564 /nfs/dbraw/zinc/19/15/64/1378191564.db2.gz QFKSZQJFXYGFIF-GOSISDBHSA-N 0 3 342.414 3.234 20 10 EGCDHN COc1cc(C)ccc1OC1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141161530 1378254990 /nfs/dbraw/zinc/25/49/90/1378254990.db2.gz UEMZRKITPDSYLF-UHFFFAOYSA-N 0 3 343.423 3.458 20 10 EGCDHN CCOC(=O)[C@H]1CN(Cc2cccc(C(C)(C)C)c2O)CCS1 ZINC001143116431 1378543568 /nfs/dbraw/zinc/54/35/68/1378543568.db2.gz AXRIFAUYTXDTDH-OAHLLOKOSA-N 0 3 337.485 3.170 20 10 EGCDHN CCOC(=O)[C@@H]1CN(Cc2cccc(C(C)(C)C)c2O)CCS1 ZINC001143116430 1378543697 /nfs/dbraw/zinc/54/36/97/1378543697.db2.gz AXRIFAUYTXDTDH-HNNXBMFYSA-N 0 3 337.485 3.170 20 10 EGCDHN COc1ccc(N2CCN([C@H]3CCc4ncsc4C3)CC2)c(C)c1 ZINC001173145299 1384923707 /nfs/dbraw/zinc/92/37/07/1384923707.db2.gz KHWSFNFSUIPKTL-HNNXBMFYSA-N 0 3 343.496 3.140 20 10 EGCDHN CC(C)OC(=O)C1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001332672978 1390147424 /nfs/dbraw/zinc/14/74/24/1390147424.db2.gz DDCYVGQCMKKGMG-UHFFFAOYSA-N 0 3 330.472 3.450 20 10 EGCDHN CCOc1ccc(C[NH+]2CCC(n3cc(Cl)cn3)CC2)c([O-])c1 ZINC001342029884 1390563144 /nfs/dbraw/zinc/56/31/44/1390563144.db2.gz SHHJDEDRJFMCFT-UHFFFAOYSA-N 0 3 335.835 3.478 20 10 EGCDHN C[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000164517235 226079469 /nfs/dbraw/zinc/07/94/69/226079469.db2.gz KAPVPBQICOONPH-HOCLYGCPSA-N 0 3 333.476 3.413 20 10 EGCDHN CCOC1CC2(C1)CC[N@H+](Cc1cc(Cl)cc(OC)c1[O-])C2 ZINC000289671582 456137131 /nfs/dbraw/zinc/13/71/31/456137131.db2.gz NQFIDMBJNDBHSC-UHFFFAOYSA-N 0 3 325.836 3.445 20 10 EGCDHN CCOC1CC2(C1)CC[N@@H+](Cc1cc(Cl)cc(OC)c1[O-])C2 ZINC000289671582 456137141 /nfs/dbraw/zinc/13/71/41/456137141.db2.gz NQFIDMBJNDBHSC-UHFFFAOYSA-N 0 3 325.836 3.445 20 10 EGCDHN CSC[C@@](C)(O)C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183158110 455241502 /nfs/dbraw/zinc/24/15/02/455241502.db2.gz UFPHVWBKWQRQBK-IBGZPJMESA-N 0 3 347.480 3.175 20 10 EGCDHN Cc1cc([O-])c(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)cc1C ZINC000057106917 454102972 /nfs/dbraw/zinc/10/29/72/454102972.db2.gz KNGHQBADPIULET-UHFFFAOYSA-N 0 3 344.480 3.465 20 10 EGCDHN CC[C@@H](NCCS(=O)(=O)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000089628989 454170141 /nfs/dbraw/zinc/17/01/41/454170141.db2.gz PVUBWTCMAYHUCE-MRXNPFEDSA-N 0 3 326.506 3.007 20 10 EGCDHN CCS(=O)(=O)C[C@@H](C)N[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000089636312 454170701 /nfs/dbraw/zinc/17/07/01/454170701.db2.gz PBINBYSMVIWKIE-CVEARBPZSA-N 0 3 338.517 3.151 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@](C)(O)c2cccs2)c1[O-] ZINC000184708869 455433337 /nfs/dbraw/zinc/43/33/37/455433337.db2.gz KVOLEWNGSCPIMH-OAHLLOKOSA-N 0 3 327.833 3.113 20 10 EGCDHN CC(=O)c1cc(F)cc(CN2CC[C@H](C[NH+]3CCCCC3)C2)c1[O-] ZINC000079464878 454420452 /nfs/dbraw/zinc/42/04/52/454420452.db2.gz JBFHRAGGAUNCMQ-OAHLLOKOSA-N 0 3 334.435 3.042 20 10 EGCDHN CCOc1cccc(C[N@H+](CCO)[C@H]2CCc3ccccc32)c1[O-] ZINC000093387740 454710155 /nfs/dbraw/zinc/71/01/55/454710155.db2.gz OZKVFQJFJSYQSF-SFHVURJKSA-N 0 3 327.424 3.273 20 10 EGCDHN CCOc1cccc(C[N@@H+](CCO)[C@H]2CCc3ccccc32)c1[O-] ZINC000093387740 454710159 /nfs/dbraw/zinc/71/01/59/454710159.db2.gz OZKVFQJFJSYQSF-SFHVURJKSA-N 0 3 327.424 3.273 20 10 EGCDHN CCC(=O)N1CC[C@H](N[C@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000126340592 454886462 /nfs/dbraw/zinc/88/64/62/454886462.db2.gz YEFWIQGQVGBMNR-AEFFLSMTSA-N 0 3 329.488 3.338 20 10 EGCDHN [O-]c1ccccc1C[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000114772933 454977103 /nfs/dbraw/zinc/97/71/03/454977103.db2.gz GELVEGASWAZVIB-UHFFFAOYSA-N 0 3 329.787 3.428 20 10 EGCDHN O=C(Nc1ccccc1)C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000179889957 455094446 /nfs/dbraw/zinc/09/44/46/455094446.db2.gz KZJDWDVOBBBTQH-UHFFFAOYSA-N 0 3 328.387 3.382 20 10 EGCDHN CCCCNC(=O)c1ccc(C[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000180462962 455174150 /nfs/dbraw/zinc/17/41/50/455174150.db2.gz WGLOGOVOTMNUNQ-UHFFFAOYSA-N 0 3 330.403 3.351 20 10 EGCDHN CCN(C[C@H]1CC[N@H+](Cc2cccc(C)c2[O-])C1)CC(F)(F)F ZINC000180551348 455194846 /nfs/dbraw/zinc/19/48/46/455194846.db2.gz YRCACXWATZNJES-CQSZACIVSA-N 0 3 330.394 3.407 20 10 EGCDHN CCN(C[C@H]1CC[N@@H+](Cc2cccc(C)c2[O-])C1)CC(F)(F)F ZINC000180551348 455194851 /nfs/dbraw/zinc/19/48/51/455194851.db2.gz YRCACXWATZNJES-CQSZACIVSA-N 0 3 330.394 3.407 20 10 EGCDHN CN(C)c1ccc(CNCc2ccccc2Cn2ccnc2)cc1F ZINC000264970545 455298203 /nfs/dbraw/zinc/29/82/03/455298203.db2.gz QROJPGZJIVZKQW-UHFFFAOYSA-N 0 3 338.430 3.426 20 10 EGCDHN COc1cc(Cl)cc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)c1[O-] ZINC000184699006 455429968 /nfs/dbraw/zinc/42/99/68/455429968.db2.gz LZNGIQYXZRTLHW-AWEZNQCLSA-N 0 3 338.879 3.362 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+][C@@H](CN2CCOCC2)c2ccccc2)c([O-])c1 ZINC000184904192 455469919 /nfs/dbraw/zinc/46/99/19/455469919.db2.gz NSUFZFKGJHBLLC-XLIONFOSSA-N 0 3 340.467 3.425 20 10 EGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(N3CCO[C@H](C)C3)nc2)c1 ZINC000185033168 455488350 /nfs/dbraw/zinc/48/83/50/455488350.db2.gz GNFXXLQHGZDWBT-HZPDHXFCSA-N 0 3 341.455 3.172 20 10 EGCDHN Cc1ccc(O)c([C@@H](C)NCc2ccc(N3CCO[C@H](C)C3)nc2)c1 ZINC000185033168 455488354 /nfs/dbraw/zinc/48/83/54/455488354.db2.gz GNFXXLQHGZDWBT-HZPDHXFCSA-N 0 3 341.455 3.172 20 10 EGCDHN COc1ccc([O-])c(C[NH2+]C[C@@](C)(Cc2ccccc2)[C@H](C)O)c1 ZINC000191780709 455518865 /nfs/dbraw/zinc/51/88/65/455518865.db2.gz DXIGOPQUNWVNSV-MGPUTAFESA-N 0 3 329.440 3.120 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]CCCc2nnc3n2CCCCC3)c([O-])c1 ZINC000185321797 455538765 /nfs/dbraw/zinc/53/87/65/455538765.db2.gz YGFXHECYUSHISY-OAHLLOKOSA-N 0 3 328.460 3.302 20 10 EGCDHN COc1ccc([C@@H](CN(C)C)[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000284430468 455683573 /nfs/dbraw/zinc/68/35/73/455683573.db2.gz RWYPSAQFUDIXOE-SCLBCKFNSA-N 0 3 332.419 3.493 20 10 EGCDHN COc1cc(NCC[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc(OC)c1 ZINC000186155022 455705402 /nfs/dbraw/zinc/70/54/02/455705402.db2.gz PKABFTBFUDVMCZ-LBPRGKRZSA-N 0 3 334.391 3.311 20 10 EGCDHN COc1cc([O-])c(C[NH2+][C@@H](C)[C@@H]2OCCc3sccc32)cc1OC ZINC000292745561 455746660 /nfs/dbraw/zinc/74/66/60/455746660.db2.gz HXDFFHBJYWUGDR-VOJFVSQTSA-N 0 3 349.452 3.263 20 10 EGCDHN C[C@@H](NC[C@H]1CC[C@@H](CO)O1)c1ccc(N2CCCCC2)c(F)c1 ZINC000293722762 455796417 /nfs/dbraw/zinc/79/64/17/455796417.db2.gz NUJCSXXJFGYKBH-OIISXLGYSA-N 0 3 336.451 3.007 20 10 EGCDHN COCCOc1ncccc1CN[C@H](C)c1c(C)cc(C)cc1O ZINC000293771171 455797532 /nfs/dbraw/zinc/79/75/32/455797532.db2.gz PQMQUXRSVCLJPQ-OAHLLOKOSA-N 0 3 330.428 3.280 20 10 EGCDHN Oc1cc(OCc2ccccc2)ccc1CN1CC2(C1)CCOC2 ZINC000293880460 455800060 /nfs/dbraw/zinc/80/00/60/455800060.db2.gz DDGIGNKNEYIXGM-UHFFFAOYSA-N 0 3 325.408 3.194 20 10 EGCDHN CC(C)(C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-])OCCO ZINC000294068977 455804943 /nfs/dbraw/zinc/80/49/43/455804943.db2.gz HSPXVVWCBGUNRY-LJQANCHMSA-N 0 3 343.467 3.443 20 10 EGCDHN Cc1cc(C)c([C@@H](C)[NH2+]CCNC(=O)c2c(F)cccc2F)c([O-])c1 ZINC000294616295 455821177 /nfs/dbraw/zinc/82/11/77/455821177.db2.gz DZNMEGCSEPBNCM-CYBMUJFWSA-N 0 3 348.393 3.368 20 10 EGCDHN Cc1cc(N2CCC([NH2+][C@H](C)c3c(C)cc(C)cc3[O-])CC2)n[nH]1 ZINC000285386563 455834572 /nfs/dbraw/zinc/83/45/72/455834572.db2.gz WPLCOIJTAOTFOW-OAHLLOKOSA-N 0 3 328.460 3.360 20 10 EGCDHN C[C@@H](Cn1ccnc1)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000279956698 455878972 /nfs/dbraw/zinc/87/89/72/455878972.db2.gz OWVLCIXDLQYTHJ-LBPRGKRZSA-N 0 3 326.366 3.146 20 10 EGCDHN CC[C@@H]([NH2+]CC(=O)NCCc1ccccc1)c1ccc(C)cc1[O-] ZINC000279988602 455880621 /nfs/dbraw/zinc/88/06/21/455880621.db2.gz FDJSWDUJUCOZAC-GOSISDBHSA-N 0 3 326.440 3.100 20 10 EGCDHN COc1cc(NCC[NH2+][C@H]2CCc3cccc([O-])c32)cc(OC)c1 ZINC000296819010 456045973 /nfs/dbraw/zinc/04/59/73/456045973.db2.gz MCCLHZLYVPUBEU-KRWDZBQOSA-N 0 3 328.412 3.098 20 10 EGCDHN C[C@H](NCc1ccncc1OC[C@@H]1CCOC1)c1ccccc1O ZINC000287518121 456070939 /nfs/dbraw/zinc/07/09/39/456070939.db2.gz ZOBIVNZYCABVDL-LSDHHAIUSA-N 0 3 328.412 3.053 20 10 EGCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)c1 ZINC000287730823 456076545 /nfs/dbraw/zinc/07/65/45/456076545.db2.gz YKKDONJPZSUFDN-HOTGVXAUSA-N 0 3 331.460 3.031 20 10 EGCDHN CC(=O)Nc1cccc(OCC[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000296989391 456085165 /nfs/dbraw/zinc/08/51/65/456085165.db2.gz SFUHWUYBCDDOEN-KRWDZBQOSA-N 0 3 326.396 3.007 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+][C@H](C)CNC(=O)OC(C)(C)C)c1[O-] ZINC000227684343 456117035 /nfs/dbraw/zinc/11/70/35/456117035.db2.gz CBQYCIHCVRTJAY-SNVBAGLBSA-N 0 3 344.839 3.057 20 10 EGCDHN CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1cc(Br)ccc1[O-])C2 ZINC000289218465 456117183 /nfs/dbraw/zinc/11/71/83/456117183.db2.gz CIMZLXZMIHRBOW-YIONKMFJSA-N 0 3 339.277 3.212 20 10 EGCDHN CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1cc(Br)ccc1[O-])C2 ZINC000289218465 456117187 /nfs/dbraw/zinc/11/71/87/456117187.db2.gz CIMZLXZMIHRBOW-YIONKMFJSA-N 0 3 339.277 3.212 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1[O-] ZINC000227684339 456117191 /nfs/dbraw/zinc/11/71/91/456117191.db2.gz CBQYCIHCVRTJAY-JTQLQIEISA-N 0 3 344.839 3.057 20 10 EGCDHN C[N@H+](Cc1ccc(OCc2ccccc2)cc1[O-])[C@@H]1CCC[C@H]1O ZINC000289262570 456118763 /nfs/dbraw/zinc/11/87/63/456118763.db2.gz FRVBIPUOGNRSLL-RTBURBONSA-N 0 3 327.424 3.316 20 10 EGCDHN C[N@@H+](Cc1ccc(OCc2ccccc2)cc1[O-])[C@@H]1CCC[C@H]1O ZINC000289262570 456118768 /nfs/dbraw/zinc/11/87/68/456118768.db2.gz FRVBIPUOGNRSLL-RTBURBONSA-N 0 3 327.424 3.316 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccccc2Cn2cncn2)c([O-])c1C ZINC000273305079 456222156 /nfs/dbraw/zinc/22/21/56/456222156.db2.gz CPLAQCNZSVNOIS-INIZCTEOSA-N 0 3 336.439 3.500 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(F)cc2)c([O-])c1C ZINC000273432961 456230695 /nfs/dbraw/zinc/23/06/95/456230695.db2.gz WIRALZKWKVPAAV-GDBMZVCRSA-N 0 3 333.403 3.239 20 10 EGCDHN O=C(/C=C/c1cncs1)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000281582345 456270413 /nfs/dbraw/zinc/27/04/13/456270413.db2.gz GALBAEJHFMLXRR-MVGZEHJDSA-N 0 3 325.437 3.168 20 10 EGCDHN CO[C@H]1CC[N@H+](Cc2cc(Br)cc(C)c2[O-])[C@H](C)C1 ZINC000282178846 456434489 /nfs/dbraw/zinc/43/44/89/456434489.db2.gz FMZHHDJCJBLIAX-RISCZKNCSA-N 0 3 328.250 3.462 20 10 EGCDHN CO[C@H]1CC[N@@H+](Cc2cc(Br)cc(C)c2[O-])[C@H](C)C1 ZINC000282178846 456434496 /nfs/dbraw/zinc/43/44/96/456434496.db2.gz FMZHHDJCJBLIAX-RISCZKNCSA-N 0 3 328.250 3.462 20 10 EGCDHN CCCOc1ccc(CN2CC[C@@H](n3cc(Cl)cn3)C2)c(O)c1 ZINC000290999155 456491136 /nfs/dbraw/zinc/49/11/36/456491136.db2.gz VUEKHZNPSUDCEE-OAHLLOKOSA-N 0 3 335.835 3.478 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)c1[O-] ZINC000291626371 456699321 /nfs/dbraw/zinc/69/93/21/456699321.db2.gz RYUYNCIDZZWKML-QFBILLFUSA-N 0 3 347.842 3.310 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]C2CCN(c3cccnn3)CC2)c([O-])c1C ZINC000277221245 456730366 /nfs/dbraw/zinc/73/03/66/456730366.db2.gz XQZXGGIPMIEOQI-HNNXBMFYSA-N 0 3 326.444 3.119 20 10 EGCDHN COc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccccc2F)c([O-])c1 ZINC000370032880 457510730 /nfs/dbraw/zinc/51/07/30/457510730.db2.gz NHEULDJLAKGVIL-UHFFFAOYSA-N 0 3 327.359 3.220 20 10 EGCDHN CCc1noc(C2CCC([NH2+]Cc3ccc(OC)cc3[O-])CC2)n1 ZINC000366820521 457902197 /nfs/dbraw/zinc/90/21/97/457902197.db2.gz CDFZXJLMWZLJQS-UHFFFAOYSA-N 0 3 331.416 3.162 20 10 EGCDHN CN(C)c1ccc(CN2CCC[C@@H](Cc3nccn3C)C2)cc1F ZINC000371665164 458025264 /nfs/dbraw/zinc/02/52/64/458025264.db2.gz KXBHSOHKHWQPTK-HNNXBMFYSA-N 0 3 330.451 3.080 20 10 EGCDHN COc1cccc(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)n2)c1[O-] ZINC000362086134 458030222 /nfs/dbraw/zinc/03/02/22/458030222.db2.gz KROWDIROXACGSY-MRXNPFEDSA-N 0 3 327.428 3.181 20 10 EGCDHN COc1cccc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)n2)c1[O-] ZINC000362086134 458030227 /nfs/dbraw/zinc/03/02/27/458030227.db2.gz KROWDIROXACGSY-MRXNPFEDSA-N 0 3 327.428 3.181 20 10 EGCDHN COc1ccc(C[NH2+]Cc2cn(C)nc2-c2cccs2)c([O-])c1 ZINC000373466726 458500474 /nfs/dbraw/zinc/50/04/74/458500474.db2.gz PLKHIFISZYAWMX-UHFFFAOYSA-N 0 3 329.425 3.153 20 10 EGCDHN COc1cccc([C@@H](C[NH2+][C@H](C)c2cc(OC)ccc2[O-])OC)c1 ZINC000527929375 459774999 /nfs/dbraw/zinc/77/49/99/459774999.db2.gz RTNFTSMMHLFBLH-BFUOFWGJSA-N 0 3 331.412 3.448 20 10 EGCDHN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H](C)N(C)C1CC1 ZINC000727742395 574688038 /nfs/dbraw/zinc/68/80/38/574688038.db2.gz OHLGBSGCXYIYNA-AWEZNQCLSA-N 0 3 331.485 3.368 20 10 EGCDHN C[C@H](COc1ccccc1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000728781856 574770799 /nfs/dbraw/zinc/77/07/99/574770799.db2.gz DMPMVYZALDYSFA-MRXNPFEDSA-N 0 3 344.430 3.219 20 10 EGCDHN CC1(C)CN(CC[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCO1 ZINC000729683049 574878582 /nfs/dbraw/zinc/87/85/82/574878582.db2.gz SAFKXOVJPNEKJS-UHFFFAOYSA-N 0 3 340.467 3.260 20 10 EGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@H]1CN2CCC[C@H]2CO1 ZINC000729683582 574879093 /nfs/dbraw/zinc/87/90/93/574879093.db2.gz PESXBIGJRZHQII-PMACEKPBSA-N 0 3 338.451 3.012 20 10 EGCDHN CC(C)(C)NC(=O)CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000729685916 574879245 /nfs/dbraw/zinc/87/92/45/574879245.db2.gz VWJQJSZIDNUFNK-UHFFFAOYSA-N 0 3 326.440 3.454 20 10 EGCDHN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000730773260 575018819 /nfs/dbraw/zinc/01/88/19/575018819.db2.gz ARCDCSQQJPTGCR-QGZVFWFLSA-N 0 3 337.467 3.369 20 10 EGCDHN CCOc1cccc(C[NH2+]CCCN(C(=O)C2CCC2)C2CC2)c1[O-] ZINC000731360372 575068118 /nfs/dbraw/zinc/06/81/18/575068118.db2.gz FGBKZMDQXYZUCW-UHFFFAOYSA-N 0 3 346.471 3.062 20 10 EGCDHN CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CCCCN2CC)cc1 ZINC000732241531 575248606 /nfs/dbraw/zinc/24/86/06/575248606.db2.gz LHQOGKGQPLREKI-IBGZPJMESA-N 0 3 346.519 3.206 20 10 EGCDHN CCC[C@@](C)(O)CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000732820090 575290228 /nfs/dbraw/zinc/29/02/28/575290228.db2.gz DEBOBUNXXURUQD-GOSISDBHSA-N 0 3 335.448 3.226 20 10 EGCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)N1CCCCCC1 ZINC000733892555 575411194 /nfs/dbraw/zinc/41/11/94/575411194.db2.gz OFWZYSGPNDPCEU-KRWDZBQOSA-N 0 3 331.504 3.366 20 10 EGCDHN C[C@@](CO)([NH2+]Cc1ccccc1[O-])c1cccc(C(F)(F)F)c1 ZINC000734845586 575559817 /nfs/dbraw/zinc/55/98/17/575559817.db2.gz VWHAJUAELHHHFP-INIZCTEOSA-N 0 3 325.330 3.408 20 10 EGCDHN C[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1 ZINC000736348690 575941675 /nfs/dbraw/zinc/94/16/75/575941675.db2.gz UJRWXPNWAJQCGG-VQIMIIECSA-N 0 3 337.467 3.239 20 10 EGCDHN Cc1ccc(C[NH2+][C@H](c2ccccc2)C2(CO)CCOCC2)c([O-])c1 ZINC000877590837 1299417743 /nfs/dbraw/zinc/41/77/43/1299417743.db2.gz JCCGSBGGGCOUBP-HXUWFJFHSA-N 0 3 341.451 3.321 20 10 EGCDHN CN(C(=O)c1ccncc1)c1ccc(C[NH2+]Cc2ccccc2[O-])cc1 ZINC000076763966 1292441004 /nfs/dbraw/zinc/44/10/04/1292441004.db2.gz LQOAIHUVRCFSBX-UHFFFAOYSA-N 0 3 347.418 3.354 20 10 EGCDHN CC[C@H]([NH2+][C@H]1CCO[C@H](c2nccn2C)C1)c1ccc(C)cc1[O-] ZINC000834910219 1293174228 /nfs/dbraw/zinc/17/42/28/1293174228.db2.gz CLUSBGPKUZKNDH-ZVZYQTTQSA-N 0 3 329.444 3.395 20 10 EGCDHN C[C@@H]1CC[N@H+](Cc2ccccc2[O-])C[C@H]1CNC(=O)OC(C)(C)C ZINC000835069186 1293198908 /nfs/dbraw/zinc/19/89/08/1293198908.db2.gz KWTYLHAEHVCFKD-GDBMZVCRSA-N 0 3 334.460 3.375 20 10 EGCDHN C[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C[C@H]1CNC(=O)OC(C)(C)C ZINC000835069186 1293198910 /nfs/dbraw/zinc/19/89/10/1293198910.db2.gz KWTYLHAEHVCFKD-GDBMZVCRSA-N 0 3 334.460 3.375 20 10 EGCDHN CC[C@H]([NH2+]C[C@@H](O)c1cc(OC)ccc1OC)c1ccccc1[O-] ZINC000121082289 1293354632 /nfs/dbraw/zinc/35/46/32/1293354632.db2.gz VDCSZVCQTNVEDM-FUHWJXTLSA-N 0 3 331.412 3.184 20 10 EGCDHN Cc1ncc([C@H](C)NCc2ccc(N3CCSCC3)cc2)c(C)n1 ZINC000163598974 1294336345 /nfs/dbraw/zinc/33/63/45/1294336345.db2.gz HRLNXPJFLHDJBE-AWEZNQCLSA-N 0 3 342.512 3.497 20 10 EGCDHN CCN(Cc1ccccc1)C(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000177998021 1294709702 /nfs/dbraw/zinc/70/97/02/1294709702.db2.gz QSNLNGNXLLASJI-KRWDZBQOSA-N 0 3 339.483 3.452 20 10 EGCDHN C[C@@H]([NH2+]C[C@H](c1ccccc1)N1CCOCC1)c1ccccc1[O-] ZINC000183396195 1295116141 /nfs/dbraw/zinc/11/61/41/1295116141.db2.gz JCMPMTWMNXOWEH-VQIMIIECSA-N 0 3 326.440 3.116 20 10 EGCDHN COc1cc(OC)cc(OCC[NH2+][C@H](C)c2ccc(C)cc2[O-])c1 ZINC000186114604 1295305725 /nfs/dbraw/zinc/30/57/25/1295305725.db2.gz KBIAWBABECATIV-CQSZACIVSA-N 0 3 331.412 3.447 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c1[O-] ZINC000275302782 1296713638 /nfs/dbraw/zinc/71/36/38/1296713638.db2.gz IHZYFIPPYDKMPX-FRJFDASCSA-N 0 3 326.234 3.434 20 10 EGCDHN CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000304060883 1296896602 /nfs/dbraw/zinc/89/66/02/1296896602.db2.gz OWSGYODIUBEVRS-MEBBXXQBSA-N 0 3 346.265 3.050 20 10 EGCDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000323957004 1297204472 /nfs/dbraw/zinc/20/44/72/1297204472.db2.gz YPODDHLQCYEAEI-INIZCTEOSA-N 0 3 338.455 3.255 20 10 EGCDHN CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000383846390 1297574747 /nfs/dbraw/zinc/57/47/47/1297574747.db2.gz LDOYQKFEDFODNA-GJZGRUSLSA-N 0 3 332.444 3.369 20 10 EGCDHN CN(Cc1c([O-])cccc1Br)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000707165861 1298226261 /nfs/dbraw/zinc/22/62/61/1298226261.db2.gz LWJQYYGTBPYHTO-FUNVUKJBSA-N 0 3 339.277 3.212 20 10 EGCDHN CN(Cc1c([O-])cccc1Br)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000707165861 1298226272 /nfs/dbraw/zinc/22/62/72/1298226272.db2.gz LWJQYYGTBPYHTO-FUNVUKJBSA-N 0 3 339.277 3.212 20 10 EGCDHN CC[C@H](C)N[C@@H](CNC(=O)NCc1cc(C)ccc1O)c1ccco1 ZINC000875573115 1298394478 /nfs/dbraw/zinc/39/44/78/1298394478.db2.gz ANMCFTXYWSHQBP-HOCLYGCPSA-N 0 3 345.443 3.222 20 10 EGCDHN Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3c(C)cccc3[O-])C2)nc1 ZINC000876598621 1298857861 /nfs/dbraw/zinc/85/78/61/1298857861.db2.gz ZIGDCNDEMZPGEH-MRXNPFEDSA-N 0 3 339.439 3.255 20 10 EGCDHN Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3c(C)cccc3[O-])C2)nc1 ZINC000876598621 1298857872 /nfs/dbraw/zinc/85/78/72/1298857872.db2.gz ZIGDCNDEMZPGEH-MRXNPFEDSA-N 0 3 339.439 3.255 20 10 EGCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000877168263 1299190895 /nfs/dbraw/zinc/19/08/95/1299190895.db2.gz QTPDYNKFVGLPJF-LSDHHAIUSA-N 0 3 334.460 3.436 20 10 EGCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000877168263 1299190901 /nfs/dbraw/zinc/19/09/01/1299190901.db2.gz QTPDYNKFVGLPJF-LSDHHAIUSA-N 0 3 334.460 3.436 20 10 EGCDHN Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000877756304 1299532084 /nfs/dbraw/zinc/53/20/84/1299532084.db2.gz FWWKAUKCLANIFX-CYBMUJFWSA-N 0 3 345.443 3.008 20 10 EGCDHN COC(=O)COc1c(C)cc(C[NH2+][C@H](C)c2ccccc2[O-])cc1C ZINC000877756508 1299532655 /nfs/dbraw/zinc/53/26/55/1299532655.db2.gz NUVDBYATJCZIRJ-OAHLLOKOSA-N 0 3 343.423 3.412 20 10 EGCDHN CN(C)c1ccc(CN(C)C(=O)CNC(C)(C)c2cccs2)cc1 ZINC000754819114 1300222174 /nfs/dbraw/zinc/22/21/74/1300222174.db2.gz DOGRXHOMOIFVCR-UHFFFAOYSA-N 0 3 345.512 3.297 20 10 EGCDHN CCOc1ccc(C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)c([O-])c1 ZINC000756035036 1300429728 /nfs/dbraw/zinc/42/97/28/1300429728.db2.gz SACRZRICNJFMID-NPMABZOXSA-N 0 3 333.453 3.379 20 10 EGCDHN CC(C)[C@@H](C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)N1CCOCC1 ZINC000756369398 1300477855 /nfs/dbraw/zinc/47/78/55/1300477855.db2.gz SFIKNCKLVUTHSN-VNQPRFMTSA-N 0 3 336.451 3.026 20 10 EGCDHN C[C@H]1C[C@H]([NH2+]C2CCN(C(=O)C3CC3)CC2)c2c1c(F)ccc2[O-] ZINC000756402822 1300484510 /nfs/dbraw/zinc/48/45/10/1300484510.db2.gz ZAPFVGVPWFIFKW-NHYWBVRUSA-N 0 3 332.419 3.070 20 10 EGCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](O)COc2c(C)cccc2C)c([O-])c1 ZINC000756457093 1300496462 /nfs/dbraw/zinc/49/64/62/1300496462.db2.gz GCSOWLMHRXGSEF-IRXDYDNUSA-N 0 3 329.440 3.408 20 10 EGCDHN CCc1nn(C)c(OC)c1CN[C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756664821 1300543332 /nfs/dbraw/zinc/54/33/32/1300543332.db2.gz QQCCVBCGOBUEOB-IINYFYTJSA-N 0 3 333.407 3.174 20 10 EGCDHN Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756737229 1300556671 /nfs/dbraw/zinc/55/66/71/1300556671.db2.gz LKIGJOJDJAYZQE-GXTWGEPZSA-N 0 3 346.402 3.391 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)c2c1c(F)ccc2[O-] ZINC000756737921 1300557169 /nfs/dbraw/zinc/55/71/69/1300557169.db2.gz HZAOOTSJGDUZAA-CZXHOFHRSA-N 0 3 341.448 3.025 20 10 EGCDHN CC(C)CN1CCC[C@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000756762021 1300561216 /nfs/dbraw/zinc/56/12/16/1300561216.db2.gz SGXWGFMLQWORCI-HUUCEWRRSA-N 0 3 335.448 3.319 20 10 EGCDHN C[C@@H]([NH2+]CC1=CCN(C)CC1)c1cc(Br)cc(F)c1[O-] ZINC000756791746 1300566780 /nfs/dbraw/zinc/56/67/80/1300566780.db2.gz UXMDUDMZSUBSRO-SNVBAGLBSA-N 0 3 343.240 3.206 20 10 EGCDHN Cc1ccc(CN(C(=O)C[NH2+][C@H](C)c2ccccc2[O-])C2CC2)o1 ZINC000879648292 1300647615 /nfs/dbraw/zinc/64/76/15/1300647615.db2.gz IRTADUMVPLLLAL-CQSZACIVSA-N 0 3 328.412 3.135 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H](CO)CC(F)F)c1[O-] ZINC000760035730 1301212701 /nfs/dbraw/zinc/21/27/01/1301212701.db2.gz CWILWHLOSKCJPW-WPRPVWTQSA-N 0 3 338.192 3.130 20 10 EGCDHN C[C@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000762648600 1301721421 /nfs/dbraw/zinc/72/14/21/1301721421.db2.gz JYTWLMIZZZQCMS-KGLIPLIRSA-N 0 3 326.868 3.197 20 10 EGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@H](CCO)C1CCOCC1 ZINC000763465644 1301909613 /nfs/dbraw/zinc/90/96/13/1301909613.db2.gz BHNVTAKNFLZMEW-HXUWFJFHSA-N 0 3 341.451 3.326 20 10 EGCDHN COc1ccc(C)cc1NC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000765357948 1302253034 /nfs/dbraw/zinc/25/30/34/1302253034.db2.gz FBTFGKNMRRPRCN-HNNXBMFYSA-N 0 3 341.455 3.359 20 10 EGCDHN C[C@H](N[C@@H]1CCCN(C)C1=O)c1ccc(N2CCCCCC2)cc1 ZINC000766435853 1302452143 /nfs/dbraw/zinc/45/21/43/1302452143.db2.gz AQTRTDRWEYRMJM-QFBILLFUSA-N 0 3 329.488 3.338 20 10 EGCDHN CCC[N@H+](Cc1ccc(OC)cc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768439796 1302900950 /nfs/dbraw/zinc/90/09/50/1302900950.db2.gz JYLBFMCEQOYSLZ-LJQANCHMSA-N 0 3 343.423 3.239 20 10 EGCDHN CCC[N@@H+](Cc1ccc(OC)cc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768439796 1302900960 /nfs/dbraw/zinc/90/09/60/1302900960.db2.gz JYLBFMCEQOYSLZ-LJQANCHMSA-N 0 3 343.423 3.239 20 10 EGCDHN C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768447904 1302906091 /nfs/dbraw/zinc/90/60/91/1302906091.db2.gz RKJWBHAYWHBBIG-SPKLELGKSA-N 0 3 343.398 3.335 20 10 EGCDHN C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768447904 1302906103 /nfs/dbraw/zinc/90/61/03/1302906103.db2.gz RKJWBHAYWHBBIG-SPKLELGKSA-N 0 3 343.398 3.335 20 10 EGCDHN Oc1cc2c(cc1CN1CCSC[C@H]1c1ccccc1)[C@@H](O)CO2 ZINC000768444370 1302908232 /nfs/dbraw/zinc/90/82/32/1302908232.db2.gz AGMKFWXBUSDPMO-WMZOPIPTSA-N 0 3 343.448 3.108 20 10 EGCDHN CC(C)N1CCN(c2cccc(NC(=O)C3=CC(=O)CS3)c2)CC1 ZINC000768526838 1302924013 /nfs/dbraw/zinc/92/40/13/1302924013.db2.gz QAKVSKIUEYTDCT-UHFFFAOYSA-N 0 3 345.468 3.236 20 10 EGCDHN COc1cccc([O-])c1C[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000769382114 1303102831 /nfs/dbraw/zinc/10/28/31/1303102831.db2.gz RKGMAGWMFRLOMG-FQEVSTJZSA-N 0 3 345.414 3.486 20 10 EGCDHN CN(C)c1ccc(CN2CCC(N(C)CC(F)F)CC2)cc1F ZINC000769508012 1303130854 /nfs/dbraw/zinc/13/08/54/1303130854.db2.gz CGKZBXLUJIOKCV-UHFFFAOYSA-N 0 3 329.410 3.053 20 10 EGCDHN CCOc1ccc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c([O-])c1 ZINC000769544090 1303138520 /nfs/dbraw/zinc/13/85/20/1303138520.db2.gz SSPGWVOAVWAJBT-LJQANCHMSA-N 0 3 349.471 3.341 20 10 EGCDHN COc1cccc([O-])c1C[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000770663431 1303301950 /nfs/dbraw/zinc/30/19/50/1303301950.db2.gz CWDBRPBUDXYWOL-UHFFFAOYSA-N 0 3 345.414 3.110 20 10 EGCDHN CCOC(=O)C1(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000770665354 1303303323 /nfs/dbraw/zinc/30/33/23/1303303323.db2.gz JVMFCOSMAUHGOW-UHFFFAOYSA-N 0 3 325.408 3.492 20 10 EGCDHN COc1ccc(CN[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)cc1C ZINC000770748489 1303313526 /nfs/dbraw/zinc/31/35/26/1303313526.db2.gz GGDJCNMEOWICLR-CQSZACIVSA-N 0 3 346.377 3.177 20 10 EGCDHN C[C@H](CN[C@H](C)c1ccc(N2CCCCCC2)cc1)S(C)(=O)=O ZINC000773107610 1303625890 /nfs/dbraw/zinc/62/58/90/1303625890.db2.gz YIQDCZSWYYDQHM-HZPDHXFCSA-N 0 3 338.517 3.151 20 10 EGCDHN CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1ccc(N(C)CC)cc1 ZINC000773754750 1303735150 /nfs/dbraw/zinc/73/51/50/1303735150.db2.gz NMOSBRNGYOQPIL-MOPGFXCFSA-N 0 3 331.504 3.364 20 10 EGCDHN CCN(C)c1ccc(CN2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000773758555 1303736084 /nfs/dbraw/zinc/73/60/84/1303736084.db2.gz VNKSSTRLOKKQMV-INIZCTEOSA-N 0 3 333.476 3.242 20 10 EGCDHN C[C@@H](NCC(=O)Nc1cccnc1Cl)c1ccc(N(C)C)cc1 ZINC000775829028 1304045272 /nfs/dbraw/zinc/04/52/72/1304045272.db2.gz WKBWIXQBJOMINE-GFCCVEGCSA-N 0 3 332.835 3.090 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+]C(C)(C)c2cnn(C)c2)c1[O-] ZINC000776177213 1304107122 /nfs/dbraw/zinc/10/71/22/1304107122.db2.gz KQHYMTPIIBQGAU-UHFFFAOYSA-N 0 3 338.249 3.222 20 10 EGCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+]C[C@@H]2CCCOC2)C1 ZINC000776175768 1304107227 /nfs/dbraw/zinc/10/72/27/1304107227.db2.gz QLLAHAVENUBIJZ-YOEHRIQHSA-N 0 3 338.879 3.026 20 10 EGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCN2CC[C@H](C)C2)c1[O-] ZINC000779027726 1304520961 /nfs/dbraw/zinc/52/09/61/1304520961.db2.gz UBYJLMMMHCBOPA-AAEUAGOBSA-N 0 3 341.293 3.456 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](CCO)C2CC2)c1[O-] ZINC000779031511 1304521071 /nfs/dbraw/zinc/52/10/71/1304521071.db2.gz IOEWHGJXURVGGX-QMTHXVAHSA-N 0 3 328.250 3.275 20 10 EGCDHN COC(=O)C(C)(C)[C@@H]1CCCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000779605755 1304586171 /nfs/dbraw/zinc/58/61/71/1304586171.db2.gz YKPKZRBZPPLMNZ-OAHLLOKOSA-N 0 3 336.451 3.303 20 10 EGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1/C=C\c1ccccc1)[C@@H](O)CO2 ZINC000779890385 1304619340 /nfs/dbraw/zinc/61/93/40/1304619340.db2.gz VZUMGZUGXKDMPT-WIIIZXMTSA-N 0 3 337.419 3.496 20 10 EGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1/C=C\c1ccccc1)[C@@H](O)CO2 ZINC000779890385 1304619344 /nfs/dbraw/zinc/61/93/44/1304619344.db2.gz VZUMGZUGXKDMPT-WIIIZXMTSA-N 0 3 337.419 3.496 20 10 EGCDHN COc1ccc(CN(C)Cc2ccc(OC)c(OC)c2O)cc1OC ZINC000891477213 1305061944 /nfs/dbraw/zinc/06/19/44/1305061944.db2.gz DJJJWJPXTPIRIP-UHFFFAOYSA-N 0 3 347.411 3.059 20 10 EGCDHN COCCN(Cc1cccs1)Cc1ccc(OC)c(OC)c1O ZINC000891511346 1305073782 /nfs/dbraw/zinc/07/37/82/1305073782.db2.gz UMQLBDQZFJEWPS-UHFFFAOYSA-N 0 3 337.441 3.120 20 10 EGCDHN COc1ccc(CNCc2ccccc2OCC2CC2)c(O)c1OC ZINC000892985991 1305639504 /nfs/dbraw/zinc/63/95/04/1305639504.db2.gz SJOAMJCBIUUYHK-UHFFFAOYSA-N 0 3 343.423 3.488 20 10 EGCDHN COC(=O)[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])[C@H]1C ZINC000787421151 1305743229 /nfs/dbraw/zinc/74/32/29/1305743229.db2.gz NVFNFLUAJJMVKD-KSSFIOAISA-N 0 3 325.408 3.443 20 10 EGCDHN COC(=O)[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])[C@H]1C ZINC000787421151 1305743239 /nfs/dbraw/zinc/74/32/39/1305743239.db2.gz NVFNFLUAJJMVKD-KSSFIOAISA-N 0 3 325.408 3.443 20 10 EGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCc2cncn2C)c1[O-] ZINC000788258329 1305909852 /nfs/dbraw/zinc/90/98/52/1305909852.db2.gz VIQXRYSZTUWXGU-LLVKDONJSA-N 0 3 338.249 3.090 20 10 EGCDHN Cc1ncoc1CN[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000894314882 1306338830 /nfs/dbraw/zinc/33/88/30/1306338830.db2.gz LNQBZEJCVWRNAU-ZDUSSCGKSA-N 0 3 337.370 3.343 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F)c1[O-] ZINC000894680452 1309019074 /nfs/dbraw/zinc/01/90/74/1309019074.db2.gz CGWSIQMVZDZTDH-AAEUAGOBSA-N 0 3 341.757 3.092 20 10 EGCDHN Cc1cc(Br)cc(C[NH2+][C@H](CO)CC2CCC2)c1[O-] ZINC000793321873 1309345339 /nfs/dbraw/zinc/34/53/39/1309345339.db2.gz LJGOJWPSYSMSMI-AWEZNQCLSA-N 0 3 328.250 3.104 20 10 EGCDHN COc1cc(Br)cc(CN2CC[C@H](OC)C[C@H]2C)c1O ZINC000799738186 1310609400 /nfs/dbraw/zinc/60/94/00/1310609400.db2.gz SZWYSXGQGIZUEJ-MFKMUULPSA-N 0 3 344.249 3.163 20 10 EGCDHN Cc1cccc(CN[C@@H](Cn2ccccc2=O)c2ccccc2)c1O ZINC000800544888 1310781400 /nfs/dbraw/zinc/78/14/00/1310781400.db2.gz GSDBMWPSZIHPSG-IBGZPJMESA-N 0 3 334.419 3.393 20 10 EGCDHN CC(C)N(CC1CC1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899096423 1310932469 /nfs/dbraw/zinc/93/24/69/1310932469.db2.gz UEOLUBQFVIBJIY-LJQANCHMSA-N 0 3 346.519 3.185 20 10 EGCDHN CCCCN(CC(=O)NC(C1CC1)C1CC1)Cc1ccccc1O ZINC000801597576 1310971772 /nfs/dbraw/zinc/97/17/72/1310971772.db2.gz JSZMNDGPSOARMM-UHFFFAOYSA-N 0 3 330.472 3.299 20 10 EGCDHN CO[C@H]([C@H](C)[NH2+]Cc1cc(Br)cc(C)c1[O-])C1CC1 ZINC000825098283 1320309658 /nfs/dbraw/zinc/30/96/58/1320309658.db2.gz FUZNQZUYPHJTOJ-ZUZCIYMTSA-N 0 3 328.250 3.366 20 10 EGCDHN CO[C@@H]([C@H](C)[NH2+]Cc1cc(Br)cc(C)c1[O-])C1CC1 ZINC000825098281 1320310002 /nfs/dbraw/zinc/31/00/02/1320310002.db2.gz FUZNQZUYPHJTOJ-BONVTDFDSA-N 0 3 328.250 3.366 20 10 EGCDHN C[N@@H+]1CCC[C@]2(CCN(Cc3ccc(Br)cc3[O-])C2)C1 ZINC000826016077 1320378566 /nfs/dbraw/zinc/37/85/66/1320378566.db2.gz GTJJTYRTIUDBGH-INIZCTEOSA-N 0 3 339.277 3.072 20 10 EGCDHN C[N@H+]1CCC[C@]2(CCN(Cc3ccc(Br)cc3[O-])C2)C1 ZINC000826016077 1320378570 /nfs/dbraw/zinc/37/85/70/1320378570.db2.gz GTJJTYRTIUDBGH-INIZCTEOSA-N 0 3 339.277 3.072 20 10 EGCDHN COc1cc(N2CCN(Cc3cc(C)cc(C)c3O)CC2)ccc1F ZINC000802742240 1317034527 /nfs/dbraw/zinc/03/45/27/1317034527.db2.gz FSTXVZNUYQKDKG-UHFFFAOYSA-N 0 3 344.430 3.479 20 10 EGCDHN C[C@H]([NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)c1ccccc1[O-] ZINC000806169620 1317467741 /nfs/dbraw/zinc/46/77/41/1317467741.db2.gz OEYJZRKOMRFWOA-QWHCGFSZSA-N 0 3 344.377 3.376 20 10 EGCDHN CCN(CC)c1ccc(CN[C@@H]2COc3ccccc3[C@@H]2O)cc1 ZINC000808454847 1317680511 /nfs/dbraw/zinc/68/05/11/1317680511.db2.gz UCOGDADMZLWCTD-QUCCMNQESA-N 0 3 326.440 3.117 20 10 EGCDHN C[C@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)c1ccccc1[O-] ZINC000903480634 1317705449 /nfs/dbraw/zinc/70/54/49/1317705449.db2.gz YVISFCAEPOPRDR-QWRGUYRKSA-N 0 3 336.233 3.017 20 10 EGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CC2(N(C)C)CCOCC2)c1[O-] ZINC000808695448 1317717755 /nfs/dbraw/zinc/71/77/55/1317717755.db2.gz IAEQNNFLXIHLRG-ZDUSSCGKSA-N 0 3 326.868 3.115 20 10 EGCDHN CCCn1ccnc1CCC[N@H+](C)Cc1ccc(OCC)cc1[O-] ZINC000809755996 1317891501 /nfs/dbraw/zinc/89/15/01/1317891501.db2.gz NMJYCIZGCGSPGJ-UHFFFAOYSA-N 0 3 331.460 3.462 20 10 EGCDHN CCCn1ccnc1CCC[N@@H+](C)Cc1ccc(OCC)cc1[O-] ZINC000809755996 1317891508 /nfs/dbraw/zinc/89/15/08/1317891508.db2.gz NMJYCIZGCGSPGJ-UHFFFAOYSA-N 0 3 331.460 3.462 20 10 EGCDHN COc1cccc(CN2CCN(c3cccc(F)c3)C[C@@H]2C)c1O ZINC000814178686 1318691134 /nfs/dbraw/zinc/69/11/34/1318691134.db2.gz ZUDBGSPCAWMOAW-AWEZNQCLSA-N 0 3 330.403 3.251 20 10 EGCDHN Cc1cc(CN2CCCC[C@H]2COC(=O)N(C)C)ccc1N(C)C ZINC000815117625 1318898386 /nfs/dbraw/zinc/89/83/86/1318898386.db2.gz SEIBWWMDIKRXTO-KRWDZBQOSA-N 0 3 333.476 3.114 20 10 EGCDHN Cc1cc(C)c([C@@H](C)[NH2+]C2CCN(C[C@H]3CCCO3)CC2)c([O-])c1 ZINC000815579964 1319020986 /nfs/dbraw/zinc/02/09/86/1319020986.db2.gz ZQNFLOWTWQNGAA-SJLPKXTDSA-N 0 3 332.488 3.303 20 10 EGCDHN C[C@@H]([NH2+][C@@H]1CCc2cn[nH]c2C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815588047 1319023453 /nfs/dbraw/zinc/02/34/53/1319023453.db2.gz BGSPPHYZSDZWJA-MWLCHTKSSA-N 0 3 325.334 3.342 20 10 EGCDHN Cc1ccc([C@@H](C)[NH2+]CC[C@@H](O)COCc2ccccc2)c([O-])c1 ZINC000858594269 1328805201 /nfs/dbraw/zinc/80/52/01/1328805201.db2.gz BGRAPNQRIDLZLQ-SJLPKXTDSA-N 0 3 329.440 3.319 20 10 EGCDHN COC(=O)CCC[C@H]1CCC[C@H]([NH2+]Cc2ccc(OC)cc2[O-])C1 ZINC000816597188 1319190185 /nfs/dbraw/zinc/19/01/85/1319190185.db2.gz INUIDRADLVUJIJ-ZBFHGGJFSA-N 0 3 335.444 3.393 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@H](O)C23CCCC3)c1[O-] ZINC000816630436 1319196726 /nfs/dbraw/zinc/19/67/26/1319196726.db2.gz DOTWMJAHFIJSIX-AWEZNQCLSA-N 0 3 340.261 3.343 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@H](O)C23CCCC3)c1[O-] ZINC000816630436 1319196733 /nfs/dbraw/zinc/19/67/33/1319196733.db2.gz DOTWMJAHFIJSIX-AWEZNQCLSA-N 0 3 340.261 3.343 20 10 EGCDHN CC[C@H]1CN(C)CCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000816660524 1319202658 /nfs/dbraw/zinc/20/26/58/1319202658.db2.gz HJRRLZDDJQYWBR-KRWDZBQOSA-N 0 3 346.475 3.111 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@H](CCO)CC2)c1[O-] ZINC000817418989 1319356894 /nfs/dbraw/zinc/35/68/94/1319356894.db2.gz NQOVAIZSYZGLGS-ZDUSSCGKSA-N 0 3 342.277 3.448 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@H](CCO)CC2)c1[O-] ZINC000817418989 1319356904 /nfs/dbraw/zinc/35/69/04/1319356904.db2.gz NQOVAIZSYZGLGS-ZDUSSCGKSA-N 0 3 342.277 3.448 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H](CCO)CC2)c1[O-] ZINC000817418988 1319357278 /nfs/dbraw/zinc/35/72/78/1319357278.db2.gz NQOVAIZSYZGLGS-CYBMUJFWSA-N 0 3 342.277 3.448 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@@H](CCO)CC2)c1[O-] ZINC000817418988 1319357288 /nfs/dbraw/zinc/35/72/88/1319357288.db2.gz NQOVAIZSYZGLGS-CYBMUJFWSA-N 0 3 342.277 3.448 20 10 EGCDHN CCCN1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000915223757 1319446748 /nfs/dbraw/zinc/44/67/48/1319446748.db2.gz DMQACSJNJSXIGM-UHFFFAOYSA-N 0 3 346.475 3.113 20 10 EGCDHN O=[N+]([O-])c1cc(CNC[C@H](O)c2ccco2)ccc1N1CCCCC1 ZINC000915228299 1319449106 /nfs/dbraw/zinc/44/91/06/1319449106.db2.gz RHYMXIGYUDCFTO-KRWDZBQOSA-N 0 3 345.399 3.001 20 10 EGCDHN CC(C)CCN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CC1 ZINC000915685144 1319519717 /nfs/dbraw/zinc/51/97/17/1319519717.db2.gz XPOAQFONWFOBMK-UHFFFAOYSA-N 0 3 331.504 3.222 20 10 EGCDHN COc1ccc(N2CC[C@H](C[NH2+]Cc3cc(F)ccc3[O-])C2)cc1 ZINC000822494568 1320088319 /nfs/dbraw/zinc/08/83/19/1320088319.db2.gz RCMCSOCCJRBPIZ-CQSZACIVSA-N 0 3 330.403 3.156 20 10 EGCDHN C[C@H](C[N@H+](C)Cc1ccccc1[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000823408746 1320176723 /nfs/dbraw/zinc/17/67/23/1320176723.db2.gz PWLJPGVYABWAEN-CQSZACIVSA-N 0 3 333.453 3.031 20 10 EGCDHN C[C@H](C[N@@H+](C)Cc1ccccc1[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000823408746 1320176726 /nfs/dbraw/zinc/17/67/26/1320176726.db2.gz PWLJPGVYABWAEN-CQSZACIVSA-N 0 3 333.453 3.031 20 10 EGCDHN CC1(C)CCCN1CC[NH2+]Cc1cc(Br)ccc1[O-] ZINC000825325546 1320327222 /nfs/dbraw/zinc/32/72/22/1320327222.db2.gz DXQWPMXQJNZPIZ-UHFFFAOYSA-N 0 3 327.266 3.119 20 10 EGCDHN CCC[N@H+](C)C[C@H]1CCN(Cc2ccc(Br)cc2[O-])C1 ZINC000824889664 1320293993 /nfs/dbraw/zinc/29/39/93/1320293993.db2.gz SPDYBSGMVDMWCR-CYBMUJFWSA-N 0 3 341.293 3.318 20 10 EGCDHN CCC[N@@H+](C)C[C@H]1CCN(Cc2ccc(Br)cc2[O-])C1 ZINC000824889664 1320293996 /nfs/dbraw/zinc/29/39/96/1320293996.db2.gz SPDYBSGMVDMWCR-CYBMUJFWSA-N 0 3 341.293 3.318 20 10 EGCDHN O=C1CC[C@H]2C[N@H+](Cc3cc(-c4ccccc4)ccc3[O-])CC[C@@H]2N1 ZINC000827140150 1320429452 /nfs/dbraw/zinc/42/94/52/1320429452.db2.gz IJZAATKSLBWYNJ-HKUYNNGSSA-N 0 3 336.435 3.160 20 10 EGCDHN O=C1CC[C@H]2C[N@@H+](Cc3cc(-c4ccccc4)ccc3[O-])CC[C@@H]2N1 ZINC000827140150 1320429455 /nfs/dbraw/zinc/42/94/55/1320429455.db2.gz IJZAATKSLBWYNJ-HKUYNNGSSA-N 0 3 336.435 3.160 20 10 EGCDHN O=C1CC[C@@H]2C[N@H+](Cc3cc(-c4ccccc4)ccc3[O-])CC[C@H]2N1 ZINC000827140151 1320429484 /nfs/dbraw/zinc/42/94/84/1320429484.db2.gz IJZAATKSLBWYNJ-IEBWSBKVSA-N 0 3 336.435 3.160 20 10 EGCDHN O=C1CC[C@@H]2C[N@@H+](Cc3cc(-c4ccccc4)ccc3[O-])CC[C@H]2N1 ZINC000827140151 1320429487 /nfs/dbraw/zinc/42/94/87/1320429487.db2.gz IJZAATKSLBWYNJ-IEBWSBKVSA-N 0 3 336.435 3.160 20 10 EGCDHN Cc1ccsc1CNCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146479 1320880521 /nfs/dbraw/zinc/88/05/21/1320880521.db2.gz JILAIENALATQLD-UHFFFAOYSA-N 0 3 338.423 3.461 20 10 EGCDHN COc1cc(Cl)cc(C[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C)c1[O-] ZINC000839192922 1320891551 /nfs/dbraw/zinc/89/15/51/1320891551.db2.gz MOSFOZZUJYXREC-NSHDSACASA-N 0 3 343.851 3.464 20 10 EGCDHN COc1cc(Cl)cc(C[N@@H+](C)C[C@H](C)C(=O)OC(C)(C)C)c1[O-] ZINC000839192922 1320891553 /nfs/dbraw/zinc/89/15/53/1320891553.db2.gz MOSFOZZUJYXREC-NSHDSACASA-N 0 3 343.851 3.464 20 10 EGCDHN CC[C@H]([NH2+]CC(C)(C)[C@@H]1COCC12OCCO2)c1ccc(C)cc1[O-] ZINC000840796538 1321150155 /nfs/dbraw/zinc/15/01/55/1321150155.db2.gz GCGLXHKFWMZQRL-WMZOPIPTSA-N 0 3 349.471 3.157 20 10 EGCDHN Cc1cccc(C)c1NC(=O)CNCc1ccc(N(C)C)cc1C ZINC000840937448 1321180759 /nfs/dbraw/zinc/18/07/59/1321180759.db2.gz TUGXJDTYNLVJAI-UHFFFAOYSA-N 0 3 325.456 3.406 20 10 EGCDHN COc1ccc([C@@H](CN(C)C)NCc2ccc(N(C)C)cc2C)cc1 ZINC000840943716 1321182876 /nfs/dbraw/zinc/18/28/76/1321182876.db2.gz JIYHOQGTQDHPEP-OAQYLSRUSA-N 0 3 341.499 3.462 20 10 EGCDHN Cc1cc(N(C)C)ccc1CN1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000840948055 1321184061 /nfs/dbraw/zinc/18/40/61/1321184061.db2.gz KPTHULNVSUMSDY-HOCLYGCPSA-N 0 3 330.394 3.054 20 10 EGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](CO)c2ccc(F)cc2)c1[O-] ZINC000840964274 1321188361 /nfs/dbraw/zinc/18/83/61/1321188361.db2.gz VWMWUNPAUSCHQQ-ZDUSSCGKSA-N 0 3 339.794 3.059 20 10 EGCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@@H](CO)[C@H]2C)c1[O-] ZINC000840978978 1321193161 /nfs/dbraw/zinc/19/31/61/1321193161.db2.gz QTCCCVLOASRXIO-NEPJUHHUSA-N 0 3 328.250 3.056 20 10 EGCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H](CO)[C@H]2C)c1[O-] ZINC000840978978 1321193163 /nfs/dbraw/zinc/19/31/63/1321193163.db2.gz QTCCCVLOASRXIO-NEPJUHHUSA-N 0 3 328.250 3.056 20 10 EGCDHN CC1(C)C[C@@H](NCc2cc3c(cc2O)OCO3)c2cc(N)ccc2O1 ZINC000841083219 1321215934 /nfs/dbraw/zinc/21/59/34/1321215934.db2.gz PYKHBZZCIFZFQL-CQSZACIVSA-N 0 3 342.395 3.095 20 10 EGCDHN C[C@@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1ccc(Cl)cc1[O-] ZINC000841751271 1321306729 /nfs/dbraw/zinc/30/67/29/1321306729.db2.gz HAFZDWKJOHJUID-UONOGXRCSA-N 0 3 326.868 3.197 20 10 EGCDHN CCn1cc(CN(Cc2cc(OC)c(OC)cc2O)C(C)C)cn1 ZINC000844738314 1321641796 /nfs/dbraw/zinc/64/17/96/1321641796.db2.gz XFPZOWJNPVIWCY-UHFFFAOYSA-N 0 3 333.432 3.036 20 10 EGCDHN COc1ccc(O)c(CNCc2cn(-c3cccc(C)c3)nc2C)c1 ZINC000845937866 1321755693 /nfs/dbraw/zinc/75/56/93/1321755693.db2.gz PRZIDCSDOLQOKF-UHFFFAOYSA-N 0 3 337.423 3.493 20 10 EGCDHN C[C@@H](C[NH2+][C@@H](C)c1ccccc1[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000845988772 1321761278 /nfs/dbraw/zinc/76/12/78/1321761278.db2.gz BAWSBOOYZQNFKR-KBPBESRZSA-N 0 3 333.453 3.250 20 10 EGCDHN C[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(N2CCOCC2)cc1Cl ZINC000846187878 1321775040 /nfs/dbraw/zinc/77/50/40/1321775040.db2.gz BXTLJJDLOGQABJ-FOZNTRSISA-N 0 3 336.863 3.147 20 10 EGCDHN COC(=O)/C=C\c1ccc(CNCCCSc2nccs2)o1 ZINC000848896980 1322036309 /nfs/dbraw/zinc/03/63/09/1322036309.db2.gz CJIJBSIUFZQHAN-WAYWQWQTSA-N 0 3 338.454 3.194 20 10 EGCDHN CC[C@H](C)NC(=O)[C@H](C)NCc1cc(OC)cc(C(C)(C)C)c1O ZINC000850096919 1322192508 /nfs/dbraw/zinc/19/25/08/1322192508.db2.gz RUSPXDZKYBCBKY-STQMWFEESA-N 0 3 336.476 3.091 20 10 EGCDHN COc1cc(CN[C@@H](CO)CC(F)(F)F)c(O)c(C(C)(C)C)c1 ZINC000850225409 1322209862 /nfs/dbraw/zinc/20/98/62/1322209862.db2.gz CVQRJRCDYIITSR-LLVKDONJSA-N 0 3 335.366 3.101 20 10 EGCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)c2c1c(F)ccc2[O-] ZINC000850500516 1322257422 /nfs/dbraw/zinc/25/74/22/1322257422.db2.gz FCDNEHZWHYQKNM-IPCZXVQQSA-N 0 3 325.449 3.359 20 10 EGCDHN COC(=O)N(C)CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000850548364 1322264157 /nfs/dbraw/zinc/26/41/57/1322264157.db2.gz PFJCZTICPOXKMA-SFHVURJKSA-N 0 3 342.439 3.354 20 10 EGCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCO[C@H]1CCOC1 ZINC000927081286 1327850289 /nfs/dbraw/zinc/85/02/89/1327850289.db2.gz OBYFXUNCVIXSGI-AZUAARDMSA-N 0 3 341.451 3.461 20 10 EGCDHN CCC[N@H+](C)C[C@H]1CCN(Cc2c([O-])cccc2Br)C1 ZINC000862249538 1329471319 /nfs/dbraw/zinc/47/13/19/1329471319.db2.gz SULSDGXMIQWYIY-CYBMUJFWSA-N 0 3 341.293 3.318 20 10 EGCDHN CCC[N@@H+](C)C[C@H]1CCN(Cc2c([O-])cccc2Br)C1 ZINC000862249538 1329471322 /nfs/dbraw/zinc/47/13/22/1329471322.db2.gz SULSDGXMIQWYIY-CYBMUJFWSA-N 0 3 341.293 3.318 20 10 EGCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000862484735 1329490565 /nfs/dbraw/zinc/49/05/65/1329490565.db2.gz AIANTXKYTXQHFL-KBPBESRZSA-N 0 3 335.444 3.201 20 10 EGCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000862484735 1329490568 /nfs/dbraw/zinc/49/05/68/1329490568.db2.gz AIANTXKYTXQHFL-KBPBESRZSA-N 0 3 335.444 3.201 20 10 EGCDHN Fc1cc(CN[C@H]2CCCc3ncccc32)ccc1N1CCOCC1 ZINC000866240202 1330083850 /nfs/dbraw/zinc/08/38/50/1330083850.db2.gz ZIGJRZWCAWAWDV-IBGZPJMESA-N 0 3 341.430 3.225 20 10 EGCDHN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)C12CCCN1CCC2 ZINC001183561023 1387319110 /nfs/dbraw/zinc/31/91/10/1387319110.db2.gz HMYCYWGWONZPNC-GOSISDBHSA-N 0 3 342.483 3.377 20 10 EGCDHN CC(C)(C)OC(=O)N1CCC2(C[NH+](Cc3ccccc3[O-])C2)CC1 ZINC001203550126 1370166067 /nfs/dbraw/zinc/16/60/67/1370166067.db2.gz IPHIIUDVUULCSC-UHFFFAOYSA-N 0 3 332.444 3.225 20 10 EGCDHN [O-]c1ccccc1C[NH+]1CCC2(CCN(c3ncccn3)CC2)CC1 ZINC001203552253 1370166668 /nfs/dbraw/zinc/16/66/68/1370166668.db2.gz GLNSILCGNZEKPS-UHFFFAOYSA-N 0 3 338.455 3.065 20 10 EGCDHN COc1cccc(CN2CC[C@H](Oc3cc(F)ccc3F)C2)c1O ZINC001203595796 1370181874 /nfs/dbraw/zinc/18/18/74/1370181874.db2.gz NGQXQIMMNBXPQZ-AWEZNQCLSA-N 0 3 335.350 3.332 20 10 EGCDHN COc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](COCC(C)C)CC[C@H]32)c([O-])c1 ZINC001203623155 1370191088 /nfs/dbraw/zinc/19/10/88/1370191088.db2.gz KLTAUKICGVHDJR-QWFCFKBJSA-N 0 3 349.471 3.195 20 10 EGCDHN COc1ccc(C[N@H+]2CC[C@H]3O[C@@H](COCC(C)C)CC[C@H]32)c([O-])c1 ZINC001203623155 1370191090 /nfs/dbraw/zinc/19/10/90/1370191090.db2.gz KLTAUKICGVHDJR-QWFCFKBJSA-N 0 3 349.471 3.195 20 10 EGCDHN COc1ccc(C[N@@H+]2CCC[C@@H](c3nc(C(C)C)no3)C2)c([O-])c1 ZINC001203629046 1370193219 /nfs/dbraw/zinc/19/32/19/1370193219.db2.gz PYNCNURTVRGIDV-CQSZACIVSA-N 0 3 331.416 3.287 20 10 EGCDHN COc1ccc(C[N@H+]2CCC[C@@H](c3nc(C(C)C)no3)C2)c([O-])c1 ZINC001203629046 1370193220 /nfs/dbraw/zinc/19/32/20/1370193220.db2.gz PYNCNURTVRGIDV-CQSZACIVSA-N 0 3 331.416 3.287 20 10 EGCDHN COc1ccc(C[NH+]2CCC3(CC[C@H](COC(C)=O)C3)CC2)c([O-])c1 ZINC001203634513 1370195163 /nfs/dbraw/zinc/19/51/63/1370195163.db2.gz JYCNZCOUSCUJTO-INIZCTEOSA-N 0 3 347.455 3.346 20 10 EGCDHN Oc1ccc(CN2CCCC3(CN(Cc4ccccc4)C3)C2)cc1O ZINC001203879885 1370297485 /nfs/dbraw/zinc/29/74/85/1370297485.db2.gz GLPYEPXCJPSQET-UHFFFAOYSA-N 0 3 338.451 3.196 20 10 EGCDHN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(Cc2ccc(N(C)C)cc2)C1 ZINC001203936281 1370322149 /nfs/dbraw/zinc/32/21/49/1370322149.db2.gz LOPCJRBKUBSTMD-NVXWUHKLSA-N 0 3 347.503 3.488 20 10 EGCDHN CCOC(=O)NC1CCN(Cc2ccc(N(CC)CC)cc2)CC1 ZINC001203943473 1370324152 /nfs/dbraw/zinc/32/41/52/1370324152.db2.gz CSWMKWREWQJJML-UHFFFAOYSA-N 0 3 333.476 3.243 20 10 EGCDHN CCN(CC)c1ccc(CN2CCC(N(CC)C(C)=O)CC2)cc1 ZINC001203946450 1370325214 /nfs/dbraw/zinc/32/52/14/1370325214.db2.gz STPMXYLYCRNOCV-UHFFFAOYSA-N 0 3 331.504 3.366 20 10 EGCDHN COCCOc1ccc(N2CCN(Cc3sccc3C)CC2)cc1 ZINC001204024500 1370351635 /nfs/dbraw/zinc/35/16/35/1370351635.db2.gz KGQCIVWWEJLGNB-UHFFFAOYSA-N 0 3 346.496 3.404 20 10 EGCDHN COc1ccccc1OCC1CC[NH+](Cc2ccc(O)cc2[O-])CC1 ZINC001204281070 1370431266 /nfs/dbraw/zinc/43/12/66/1370431266.db2.gz PELZEDNBELWBSU-UHFFFAOYSA-N 0 3 343.423 3.397 20 10 EGCDHN C[C@@H]([NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)c1ccccc1[O-] ZINC001119304517 1371302420 /nfs/dbraw/zinc/30/24/20/1371302420.db2.gz UZZLPSMAOHZUOS-CYBMUJFWSA-N 0 3 332.444 3.442 20 10 EGCDHN CC(C)(C)OC(=O)N1CCC[C@H](C[N@@H+]2CCc3cccc([O-])c3C2)C1 ZINC001207247392 1371341074 /nfs/dbraw/zinc/34/10/74/1371341074.db2.gz KICIZVBMVOLBPN-OAHLLOKOSA-N 0 3 346.471 3.397 20 10 EGCDHN CC(C)(C)OC(=O)N1CCC[C@H](C[N@H+]2CCc3cccc([O-])c3C2)C1 ZINC001207247392 1371341080 /nfs/dbraw/zinc/34/10/80/1371341080.db2.gz KICIZVBMVOLBPN-OAHLLOKOSA-N 0 3 346.471 3.397 20 10 EGCDHN Cc1nc(Cl)c(CC[N@@H+](C)Cc2ccccc2[O-])c(Cl)n1 ZINC001207346318 1371366529 /nfs/dbraw/zinc/36/65/29/1371366529.db2.gz WINAKBJOKAEAJW-UHFFFAOYSA-N 0 3 326.227 3.472 20 10 EGCDHN Cc1nc(Cl)c(CC[N@H+](C)Cc2ccccc2[O-])c(Cl)n1 ZINC001207346318 1371366536 /nfs/dbraw/zinc/36/65/36/1371366536.db2.gz WINAKBJOKAEAJW-UHFFFAOYSA-N 0 3 326.227 3.472 20 10 EGCDHN CC(=O)N[C@H]1CCCN(Cc2ccc(-n3c(C)ccc3C)cc2)C1 ZINC001209518171 1372127252 /nfs/dbraw/zinc/12/72/52/1372127252.db2.gz OJIWIHZFCJQQFR-IBGZPJMESA-N 0 3 325.456 3.195 20 10 EGCDHN Nc1ccc(N(C(=O)C2(N)CC2)c2ccc3ccccc3c2N)cc1 ZINC001219471690 1373711257 /nfs/dbraw/zinc/71/12/57/1373711257.db2.gz OQAAAQRFDWHNIE-UHFFFAOYSA-N 0 3 332.407 3.160 20 10 EGCDHN Cc1cccc(CN2CCCn3cnc(COCC4CC4)c3C2)c1O ZINC001231593000 1376274236 /nfs/dbraw/zinc/27/42/36/1376274236.db2.gz MQJGIGPNVYWAKI-UHFFFAOYSA-N 0 3 341.455 3.230 20 10 EGCDHN CN(Cc1cc2ncccc2[nH]1)Cc1ccc(N2CCOCC2)cc1 ZINC001232070354 1376395576 /nfs/dbraw/zinc/39/55/76/1376395576.db2.gz RYCXBLYKCBWFEO-UHFFFAOYSA-N 0 3 336.439 3.032 20 10 EGCDHN CC1(C)CN(Cc2ccc(N3CCOCC3)c(Cl)c2)CCCO1 ZINC001232203590 1376416934 /nfs/dbraw/zinc/41/69/34/1376416934.db2.gz ZOTUWIRAFRFNKG-UHFFFAOYSA-N 0 3 338.879 3.178 20 10 EGCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](Oc3ccncc3)C2)cc1Cl ZINC001232270463 1376427715 /nfs/dbraw/zinc/42/77/15/1376427715.db2.gz BWHYXGYESXFRKT-OAHLLOKOSA-N 0 3 348.830 3.493 20 10 EGCDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H](Oc3ccncc3)C2)cc1Cl ZINC001232270463 1376427725 /nfs/dbraw/zinc/42/77/25/1376427725.db2.gz BWHYXGYESXFRKT-OAHLLOKOSA-N 0 3 348.830 3.493 20 10 EGCDHN [O-]c1cc(O)c(CN2CCC([NH+]3CCC(F)CC3)CC2)cc1Cl ZINC001232268350 1376427984 /nfs/dbraw/zinc/42/79/84/1376427984.db2.gz OPUCUZODDVUHAJ-UHFFFAOYSA-N 0 3 342.842 3.150 20 10 EGCDHN [O-]c1c(C[NH+]2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)ccc(F)c1F ZINC001233076984 1376562681 /nfs/dbraw/zinc/56/26/81/1376562681.db2.gz BHIVZXHVEBHAGC-IRXDYDNUSA-N 0 3 344.405 3.234 20 10 EGCDHN O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237054133 1376971145 /nfs/dbraw/zinc/97/11/45/1376971145.db2.gz VDZDMTPQUBHEAY-TXEJJXNPSA-N 0 3 329.318 3.029 20 10 EGCDHN O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237054133 1376971154 /nfs/dbraw/zinc/97/11/54/1376971154.db2.gz VDZDMTPQUBHEAY-TXEJJXNPSA-N 0 3 329.318 3.029 20 10 EGCDHN CCC1=NC2(CC[NH+](Cc3ccc(C(C)C)cc3[O-])CC2)C(=O)N1C ZINC001237051357 1376971361 /nfs/dbraw/zinc/97/13/61/1376971361.db2.gz LBEXOBBURIRERH-UHFFFAOYSA-N 0 3 343.471 3.131 20 10 EGCDHN Cc1nccnc1O[C@@H]1CC[N@@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237050940 1376971927 /nfs/dbraw/zinc/97/19/27/1376971927.db2.gz FYIYWWPCDRLEDP-QGZVFWFLSA-N 0 3 327.428 3.267 20 10 EGCDHN Cc1nccnc1O[C@@H]1CC[N@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237050940 1376971931 /nfs/dbraw/zinc/97/19/31/1376971931.db2.gz FYIYWWPCDRLEDP-QGZVFWFLSA-N 0 3 327.428 3.267 20 10 EGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC001237060014 1376973394 /nfs/dbraw/zinc/97/33/94/1376973394.db2.gz SMZLNUIBLQHWHB-INIZCTEOSA-N 0 3 345.361 3.336 20 10 EGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC001237060014 1376973400 /nfs/dbraw/zinc/97/34/00/1376973400.db2.gz SMZLNUIBLQHWHB-INIZCTEOSA-N 0 3 345.361 3.336 20 10 EGCDHN COc1cc(CN(C)Cc2ccc(OC)c(OC)c2)c(O)c(OC)c1 ZINC001237676411 1376982092 /nfs/dbraw/zinc/98/20/92/1376982092.db2.gz NJCBREREXDGSHB-UHFFFAOYSA-N 0 3 347.411 3.059 20 10 EGCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)c([O-])c1 ZINC001249208458 1377072593 /nfs/dbraw/zinc/07/25/93/1377072593.db2.gz ULEPKPXJKSXIJT-INIZCTEOSA-N 0 3 343.398 3.236 20 10 EGCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@H](c3cccc(F)c3)C2)c([O-])c1 ZINC001249208458 1377072598 /nfs/dbraw/zinc/07/25/98/1377072598.db2.gz ULEPKPXJKSXIJT-INIZCTEOSA-N 0 3 343.398 3.236 20 10 EGCDHN [O-]c1cccc(F)c1C[N@@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001137841848 1377628525 /nfs/dbraw/zinc/62/85/25/1377628525.db2.gz XLSCMNZNGDPBAA-QFBILLFUSA-N 0 3 326.415 3.238 20 10 EGCDHN [O-]c1cccc(F)c1C[N@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001137841848 1377628528 /nfs/dbraw/zinc/62/85/28/1377628528.db2.gz XLSCMNZNGDPBAA-QFBILLFUSA-N 0 3 326.415 3.238 20 10 EGCDHN [O-]c1cccc(F)c1C[N@@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001137841847 1377628755 /nfs/dbraw/zinc/62/87/55/1377628755.db2.gz XLSCMNZNGDPBAA-LPHOPBHVSA-N 0 3 326.415 3.238 20 10 EGCDHN [O-]c1cccc(F)c1C[N@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001137841847 1377628757 /nfs/dbraw/zinc/62/87/57/1377628757.db2.gz XLSCMNZNGDPBAA-LPHOPBHVSA-N 0 3 326.415 3.238 20 10 EGCDHN Cc1cc(CN2CCC[C@]3(CNC(=O)O3)C2)c(C)n1-c1ccccc1 ZINC001137859417 1377632457 /nfs/dbraw/zinc/63/24/57/1377632457.db2.gz XLSQDLMEVFZYJN-FQEVSTJZSA-N 0 3 339.439 3.169 20 10 EGCDHN CN1CCN(c2ccc(CN3CCC[C@H]3c3nccs3)cc2)CC1 ZINC001139412082 1377880610 /nfs/dbraw/zinc/88/06/10/1377880610.db2.gz CNMMLMKNIZSHOI-SFHVURJKSA-N 0 3 342.512 3.232 20 10 EGCDHN Cc1cc(O[C@H]2CCCN(Cc3ccc(N(C)C)c(C)c3)C2)ncn1 ZINC001139674506 1377931620 /nfs/dbraw/zinc/93/16/20/1377931620.db2.gz TZAFWJYNABOOPI-SFHVURJKSA-N 0 3 340.471 3.203 20 10 EGCDHN CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cc(F)ccc1[O-] ZINC001140063283 1377999440 /nfs/dbraw/zinc/99/94/40/1377999440.db2.gz PUGBHHASUYDFNA-LSDHHAIUSA-N 0 3 336.407 3.115 20 10 EGCDHN CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cc(F)ccc1[O-] ZINC001140063283 1377999443 /nfs/dbraw/zinc/99/94/43/1377999443.db2.gz PUGBHHASUYDFNA-LSDHHAIUSA-N 0 3 336.407 3.115 20 10 EGCDHN Cc1ccc(O)c(CN2CCC[C@@H](NC(=O)c3cccc(F)c3)C2)c1 ZINC001140624031 1378100436 /nfs/dbraw/zinc/10/04/36/1378100436.db2.gz CMTVUUMUMVBCNM-GOSISDBHSA-N 0 3 342.414 3.234 20 10 EGCDHN Cc1ccc(O)c(CN2CCC[C@@H](NC(=O)c3ccccc3F)C2)c1 ZINC001140624294 1378100439 /nfs/dbraw/zinc/10/04/39/1378100439.db2.gz PGECESLKLTXFLF-MRXNPFEDSA-N 0 3 342.414 3.234 20 10 EGCDHN CN(CCc1ccccc1)Cc1ccc(N2CCOCC2)cc1F ZINC001140662311 1378108566 /nfs/dbraw/zinc/10/85/66/1378108566.db2.gz NTZZEJMTINGYOM-UHFFFAOYSA-N 0 3 328.431 3.337 20 10 EGCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H](Oc3ccccc3)C2)c(OC)c1 ZINC001141028464 1378212624 /nfs/dbraw/zinc/21/26/24/1378212624.db2.gz PMMNSJQWDBQYEK-INIZCTEOSA-N 0 3 343.423 3.453 20 10 EGCDHN COc1cc([O-])c(C[N@H+]2CCC[C@H](Oc3ccccc3)C2)c(OC)c1 ZINC001141028464 1378212629 /nfs/dbraw/zinc/21/26/29/1378212629.db2.gz PMMNSJQWDBQYEK-INIZCTEOSA-N 0 3 343.423 3.453 20 10 EGCDHN CN1CCN(c2ccc(CNc3cc4[nH]cnc4cc3F)cc2)CC1 ZINC001167437189 1383633173 /nfs/dbraw/zinc/63/31/73/1383633173.db2.gz OMECSODDKQTTII-UHFFFAOYSA-N 0 3 339.418 3.066 20 10 EGCDHN COc1ccc([C@H]2C[C@H]([NH2+]Cc3cccc(O)c3[O-])CCO2)cc1 ZINC001168608069 1383947770 /nfs/dbraw/zinc/94/77/70/1383947770.db2.gz KFZQMJSMHOPPHZ-CRAIPNDOSA-N 0 3 329.396 3.116 20 10 EGCDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2ccccc2[O-])c1F ZINC001173176489 1384931547 /nfs/dbraw/zinc/93/15/47/1384931547.db2.gz JOQDCOKAPADESR-NSHDSACASA-N 0 3 334.347 3.169 20 10 EGCDHN CCOC(=O)[C@H]1CC12CCC([N@@H+]1CCc3cccc([O-])c3C1)CC2 ZINC001173623407 1384990518 /nfs/dbraw/zinc/99/05/18/1384990518.db2.gz PJNWKSMIMJUXKG-RYZJOYRSSA-N 0 3 329.440 3.262 20 10 EGCDHN CCOC(=O)[C@H]1CC12CCC([N@H+]1CCc3cccc([O-])c3C1)CC2 ZINC001173623407 1384990519 /nfs/dbraw/zinc/99/05/19/1384990519.db2.gz PJNWKSMIMJUXKG-RYZJOYRSSA-N 0 3 329.440 3.262 20 10 EGCDHN COc1cccc(CN(Cc2ccc(N)cc2)C[C@H]2CCCO2)c1 ZINC001352787108 1391849075 /nfs/dbraw/zinc/84/90/75/1391849075.db2.gz CQEHJNLBQQFZHZ-HXUWFJFHSA-N 0 3 326.440 3.459 20 10 EGCDHN COc1ccc(CNC/C=C\CNC(=O)Cc2ccccc2)cc1C ZINC001754138746 1440544152 /nfs/dbraw/zinc/54/41/52/1440544152.db2.gz KONWNQWNFZDMLU-SREVYHEPSA-N 0 3 338.451 3.008 20 10 EGCDHN COc1ccc(CNC2(CNC(=O)c3cc(C)cs3)CC2)cc1C ZINC001754513071 1440617898 /nfs/dbraw/zinc/61/78/98/1440617898.db2.gz GIRKNLYEZPYTBA-UHFFFAOYSA-N 0 3 344.480 3.426 20 10 EGCDHN